USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 281 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+ 165:sc= -1.82 (180deg=-3.03!) USER MOD Single : A 4 ASN : amide:sc= -0.799! C(o=-0.8!,f=-5.6!) USER MOD Single : A 6 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0403) USER MOD Single : A 10 SER OG : rot 180:sc= 0.132 USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.0119 (180deg=-0.648) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 168:sc= -0.0144 (180deg=-0.142) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0324 (180deg=-0.513) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.663 6.241 2.077 1.00 0.00 N ATOM 2 CA VAL A 1 -2.558 7.244 2.034 1.00 0.00 C ATOM 3 C VAL A 1 -1.215 6.543 1.811 1.00 0.00 C ATOM 4 O VAL A 1 -1.161 5.401 1.402 1.00 0.00 O ATOM 5 CB VAL A 1 -2.584 7.936 3.399 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.697 8.986 3.415 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.846 6.902 4.500 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.517 6.682 2.475 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.864 5.904 1.114 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.379 5.437 2.672 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.684 7.957 1.219 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.622 8.417 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.717 9.480 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.511 9.725 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.657 8.502 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.864 7.400 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.806 6.418 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.055 6.153 4.491 1.00 0.00 H new ATOM 19 N PHE A 2 -0.129 7.220 2.073 1.00 0.00 N ATOM 20 CA PHE A 2 1.208 6.592 1.871 1.00 0.00 C ATOM 21 C PHE A 2 1.837 6.231 3.217 1.00 0.00 C ATOM 22 O PHE A 2 1.732 6.962 4.181 1.00 0.00 O ATOM 23 CB PHE A 2 2.042 7.658 1.159 1.00 0.00 C ATOM 24 CG PHE A 2 1.443 7.972 -0.194 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.493 7.116 -0.768 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.846 9.126 -0.879 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.052 7.414 -2.021 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.299 9.423 -2.133 1.00 0.00 C ATOM 29 CZ PHE A 2 0.349 8.568 -2.704 1.00 0.00 C ATOM 0 H PHE A 2 -0.110 8.180 2.418 1.00 0.00 H new ATOM 0 HA PHE A 2 1.145 5.669 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.083 8.563 1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.067 7.308 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.182 6.226 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.579 9.787 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.783 6.753 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.610 10.313 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.074 8.799 -3.671 1.00 0.00 H new ATOM 39 N ILE A 3 2.493 5.105 3.287 1.00 0.00 N ATOM 40 CA ILE A 3 3.135 4.690 4.569 1.00 0.00 C ATOM 41 C ILE A 3 4.543 4.151 4.305 1.00 0.00 C ATOM 42 O ILE A 3 4.772 3.428 3.356 1.00 0.00 O ATOM 43 CB ILE A 3 2.233 3.586 5.122 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.874 2.612 3.997 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.953 4.204 5.687 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.878 1.575 4.519 1.00 0.00 C ATOM 0 H ILE A 3 2.613 4.453 2.512 1.00 0.00 H new ATOM 0 HA ILE A 3 3.239 5.520 5.267 1.00 0.00 H new ATOM 0 HB ILE A 3 2.758 3.052 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.443 3.154 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.773 2.116 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.311 3.416 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.207 4.899 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.427 4.739 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.622 0.881 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.326 1.025 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.025 2.079 4.865 1.00 0.00 H new ATOM 58 N ASN A 4 5.489 4.495 5.137 1.00 0.00 N ATOM 59 CA ASN A 4 6.879 3.995 4.926 1.00 0.00 C ATOM 60 C ASN A 4 7.005 2.558 5.441 1.00 0.00 C ATOM 61 O ASN A 4 7.568 2.310 6.489 1.00 0.00 O ATOM 62 CB ASN A 4 7.770 4.943 5.731 1.00 0.00 C ATOM 63 CG ASN A 4 7.489 4.769 7.226 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.365 4.908 7.665 1.00 0.00 O ATOM 65 ND2 ASN A 4 8.472 4.469 8.031 1.00 0.00 N ATOM 0 H ASN A 4 5.361 5.098 5.950 1.00 0.00 H new ATOM 0 HA ASN A 4 7.159 3.978 3.873 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.820 4.737 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.582 5.975 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.296 4.351 9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.416 4.352 7.662 1.00 0.00 H new ATOM 72 N ALA A 5 6.481 1.612 4.711 1.00 0.00 N ATOM 73 CA ALA A 5 6.567 0.190 5.154 1.00 0.00 C ATOM 74 C ALA A 5 7.553 -0.580 4.270 1.00 0.00 C ATOM 75 O ALA A 5 7.569 -1.794 4.255 1.00 0.00 O ATOM 76 CB ALA A 5 5.152 -0.361 4.983 1.00 0.00 C ATOM 0 H ALA A 5 5.996 1.762 3.826 1.00 0.00 H new ATOM 0 HA ALA A 5 6.921 0.096 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.129 -1.407 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.461 0.212 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.855 -0.282 3.937 1.00 0.00 H new ATOM 82 N LYS A 6 8.373 0.118 3.532 1.00 0.00 N ATOM 83 CA LYS A 6 9.354 -0.577 2.651 1.00 0.00 C ATOM 84 C LYS A 6 8.671 -1.730 1.911 1.00 0.00 C ATOM 85 O LYS A 6 9.205 -2.818 1.813 1.00 0.00 O ATOM 86 CB LYS A 6 10.426 -1.109 3.601 1.00 0.00 C ATOM 87 CG LYS A 6 11.637 -1.579 2.792 1.00 0.00 C ATOM 88 CD LYS A 6 12.337 -0.370 2.167 1.00 0.00 C ATOM 89 CE LYS A 6 13.736 -0.775 1.697 1.00 0.00 C ATOM 90 NZ LYS A 6 13.517 -1.525 0.429 1.00 0.00 N ATOM 0 H LYS A 6 8.406 1.137 3.501 1.00 0.00 H new ATOM 0 HA LYS A 6 9.773 0.084 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.724 -0.330 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.027 -1.934 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.330 -2.120 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.320 -2.272 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.754 0.006 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.406 0.439 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.366 0.100 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.238 -1.395 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.962 -2.462 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.496 -1.637 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.940 -0.999 -0.363 1.00 0.00 H new ATOM 104 N CYS A 7 7.495 -1.505 1.393 1.00 0.00 N ATOM 105 CA CYS A 7 6.785 -2.598 0.666 1.00 0.00 C ATOM 106 C CYS A 7 7.749 -3.307 -0.289 1.00 0.00 C ATOM 107 O CYS A 7 8.731 -2.742 -0.728 1.00 0.00 O ATOM 108 CB CYS A 7 5.661 -1.909 -0.110 1.00 0.00 C ATOM 109 SG CYS A 7 6.364 -0.693 -1.250 1.00 0.00 S ATOM 0 H CYS A 7 6.996 -0.617 1.440 1.00 0.00 H new ATOM 0 HA CYS A 7 6.394 -3.356 1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.082 -2.648 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.975 -1.420 0.582 1.00 0.00 H new ATOM 114 N ARG A 8 7.478 -4.543 -0.610 1.00 0.00 N ATOM 115 CA ARG A 8 8.383 -5.288 -1.532 1.00 0.00 C ATOM 116 C ARG A 8 7.784 -5.340 -2.939 1.00 0.00 C ATOM 117 O ARG A 8 8.494 -5.368 -3.925 1.00 0.00 O ATOM 118 CB ARG A 8 8.487 -6.695 -0.940 1.00 0.00 C ATOM 119 CG ARG A 8 9.679 -6.762 0.018 1.00 0.00 C ATOM 120 CD ARG A 8 10.973 -6.918 -0.785 1.00 0.00 C ATOM 121 NE ARG A 8 11.859 -7.753 0.070 1.00 0.00 N ATOM 122 CZ ARG A 8 13.046 -7.321 0.400 1.00 0.00 C ATOM 123 NH1 ARG A 8 13.762 -6.657 -0.467 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.516 -7.552 1.595 1.00 0.00 N ATOM 0 H ARG A 8 6.671 -5.069 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 8 9.359 -4.812 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.568 -6.947 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.607 -7.428 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.722 -5.858 0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.561 -7.601 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.786 -7.397 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.426 -5.949 -0.995 1.00 0.00 H new ATOM 0 HE ARG A 8 11.539 -8.664 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.394 -6.476 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.689 -6.319 -0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.956 -8.070 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.443 -7.214 1.852 1.00 0.00 H new ATOM 138 N GLY A 9 6.482 -5.357 -3.045 1.00 0.00 N ATOM 139 CA GLY A 9 5.853 -5.412 -4.393 1.00 0.00 C ATOM 140 C GLY A 9 4.457 -4.789 -4.348 1.00 0.00 C ATOM 141 O GLY A 9 3.972 -4.392 -3.306 1.00 0.00 O ATOM 0 H GLY A 9 5.831 -5.335 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.474 -4.880 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.787 -6.446 -4.730 1.00 0.00 H new ATOM 145 N SER A 10 3.810 -4.704 -5.477 1.00 0.00 N ATOM 146 CA SER A 10 2.444 -4.111 -5.525 1.00 0.00 C ATOM 147 C SER A 10 1.414 -5.018 -4.828 1.00 0.00 C ATOM 148 O SER A 10 0.621 -4.541 -4.042 1.00 0.00 O ATOM 149 CB SER A 10 2.118 -3.978 -7.013 1.00 0.00 C ATOM 150 OG SER A 10 3.320 -4.057 -7.767 1.00 0.00 O ATOM 0 H SER A 10 4.172 -5.023 -6.376 1.00 0.00 H new ATOM 0 HA SER A 10 2.407 -3.153 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.431 -4.767 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.617 -3.029 -7.204 1.00 0.00 H new ATOM 0 HG SER A 10 3.114 -3.974 -8.721 1.00 0.00 H new ATOM 156 N PRO A 11 1.440 -6.296 -5.138 1.00 0.00 N ATOM 157 CA PRO A 11 0.474 -7.238 -4.524 1.00 0.00 C ATOM 158 C PRO A 11 0.637 -7.269 -3.002 1.00 0.00 C ATOM 159 O PRO A 11 -0.270 -7.633 -2.280 1.00 0.00 O ATOM 160 CB PRO A 11 0.855 -8.578 -5.158 1.00 0.00 C ATOM 161 CG PRO A 11 2.029 -8.351 -6.129 1.00 0.00 C ATOM 162 CD PRO A 11 2.420 -6.867 -6.095 1.00 0.00 C ATOM 0 HA PRO A 11 -0.568 -6.969 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.137 -9.294 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.002 -9.000 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.879 -8.972 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.744 -8.643 -7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.446 -6.726 -5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.342 -6.405 -7.079 1.00 0.00 H new ATOM 170 N GLU A 12 1.780 -6.881 -2.508 1.00 0.00 N ATOM 171 CA GLU A 12 1.987 -6.882 -1.032 1.00 0.00 C ATOM 172 C GLU A 12 1.432 -5.586 -0.430 1.00 0.00 C ATOM 173 O GLU A 12 0.887 -5.577 0.658 1.00 0.00 O ATOM 174 CB GLU A 12 3.501 -6.968 -0.841 1.00 0.00 C ATOM 175 CG GLU A 12 3.941 -8.431 -0.942 1.00 0.00 C ATOM 176 CD GLU A 12 3.970 -9.053 0.456 1.00 0.00 C ATOM 177 OE1 GLU A 12 3.823 -8.314 1.416 1.00 0.00 O ATOM 178 OE2 GLU A 12 4.137 -10.258 0.543 1.00 0.00 O ATOM 0 H GLU A 12 2.577 -6.564 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 12 1.475 -7.708 -0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.009 -6.370 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.781 -6.558 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.256 -8.985 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.928 -8.494 -1.400 1.00 0.00 H new ATOM 185 N CYS A 13 1.555 -4.492 -1.134 1.00 0.00 N ATOM 186 CA CYS A 13 1.022 -3.203 -0.606 1.00 0.00 C ATOM 187 C CYS A 13 -0.506 -3.244 -0.595 1.00 0.00 C ATOM 188 O CYS A 13 -1.146 -2.646 0.247 1.00 0.00 O ATOM 189 CB CYS A 13 1.521 -2.127 -1.575 1.00 0.00 C ATOM 190 SG CYS A 13 1.023 -0.494 -0.964 1.00 0.00 S ATOM 0 H CYS A 13 2.001 -4.436 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 13 1.352 -3.007 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.606 -2.179 -1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.109 -2.297 -2.570 1.00 0.00 H new ATOM 195 N LEU A 14 -1.098 -3.950 -1.522 1.00 0.00 N ATOM 196 CA LEU A 14 -2.583 -4.028 -1.555 1.00 0.00 C ATOM 197 C LEU A 14 -3.113 -4.439 -0.177 1.00 0.00 C ATOM 198 O LEU A 14 -3.866 -3.703 0.429 1.00 0.00 O ATOM 199 CB LEU A 14 -2.905 -5.085 -2.612 1.00 0.00 C ATOM 200 CG LEU A 14 -3.509 -4.409 -3.842 1.00 0.00 C ATOM 201 CD1 LEU A 14 -2.448 -4.302 -4.939 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.685 -5.244 -4.352 1.00 0.00 C ATOM 0 H LEU A 14 -0.617 -4.473 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.049 -3.073 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.000 -5.625 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.603 -5.818 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.857 -3.411 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.879 -3.820 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.608 -3.710 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.100 -5.300 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.118 -4.764 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.335 -6.241 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.441 -5.322 -3.571 1.00 0.00 H new ATOM 214 N PRO A 15 -2.695 -5.591 0.296 1.00 0.00 N ATOM 215 CA PRO A 15 -3.138 -6.059 1.628 1.00 0.00 C ATOM 216 C PRO A 15 -2.748 -5.030 2.692 1.00 0.00 C ATOM 217 O PRO A 15 -3.536 -4.672 3.546 1.00 0.00 O ATOM 218 CB PRO A 15 -2.355 -7.364 1.807 1.00 0.00 C ATOM 219 CG PRO A 15 -1.485 -7.594 0.557 1.00 0.00 C ATOM 220 CD PRO A 15 -1.774 -6.478 -0.457 1.00 0.00 C ATOM 0 HA PRO A 15 -4.215 -6.197 1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.729 -7.310 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.041 -8.199 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.429 -7.595 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.703 -8.568 0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.865 -5.958 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.235 -6.865 -1.366 1.00 0.00 H new ATOM 228 N LYS A 16 -1.537 -4.542 2.638 1.00 0.00 N ATOM 229 CA LYS A 16 -1.100 -3.527 3.638 1.00 0.00 C ATOM 230 C LYS A 16 -2.103 -2.373 3.667 1.00 0.00 C ATOM 231 O LYS A 16 -2.461 -1.870 4.716 1.00 0.00 O ATOM 232 CB LYS A 16 0.265 -3.045 3.147 1.00 0.00 C ATOM 233 CG LYS A 16 1.253 -4.214 3.156 1.00 0.00 C ATOM 234 CD LYS A 16 1.869 -4.357 4.550 1.00 0.00 C ATOM 235 CE LYS A 16 2.926 -5.464 4.528 1.00 0.00 C ATOM 236 NZ LYS A 16 2.156 -6.727 4.363 1.00 0.00 N ATOM 0 H LYS A 16 -0.834 -4.802 1.946 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.042 -3.931 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.178 -2.637 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.630 -2.241 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.743 -5.136 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.036 -4.047 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.320 -3.414 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.094 -4.593 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.630 -5.321 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.507 -5.473 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.649 -7.501 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.206 -6.610 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.075 -6.954 3.351 1.00 0.00 H new ATOM 250 N CYS A 17 -2.570 -1.957 2.521 1.00 0.00 N ATOM 251 CA CYS A 17 -3.562 -0.846 2.482 1.00 0.00 C ATOM 252 C CYS A 17 -4.897 -1.330 3.054 1.00 0.00 C ATOM 253 O CYS A 17 -5.670 -0.564 3.592 1.00 0.00 O ATOM 254 CB CYS A 17 -3.707 -0.492 1.002 1.00 0.00 C ATOM 255 SG CYS A 17 -2.168 0.246 0.400 1.00 0.00 S ATOM 0 H CYS A 17 -2.308 -2.338 1.612 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.250 0.016 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.943 -1.386 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.534 0.204 0.864 1.00 0.00 H new ATOM 260 N LYS A 18 -5.164 -2.604 2.947 1.00 0.00 N ATOM 261 CA LYS A 18 -6.442 -3.148 3.490 1.00 0.00 C ATOM 262 C LYS A 18 -6.400 -3.136 5.020 1.00 0.00 C ATOM 263 O LYS A 18 -7.418 -3.143 5.681 1.00 0.00 O ATOM 264 CB LYS A 18 -6.518 -4.583 2.962 1.00 0.00 C ATOM 265 CG LYS A 18 -7.918 -5.151 3.209 1.00 0.00 C ATOM 266 CD LYS A 18 -8.229 -6.218 2.156 1.00 0.00 C ATOM 267 CE LYS A 18 -7.892 -7.601 2.717 1.00 0.00 C ATOM 268 NZ LYS A 18 -6.762 -8.090 1.879 1.00 0.00 N ATOM 0 H LYS A 18 -4.552 -3.291 2.507 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.309 -2.561 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.291 -4.601 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.771 -5.203 3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.976 -5.583 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.659 -4.353 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.282 -6.173 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.652 -6.030 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.608 -7.543 3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.749 -8.272 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.473 -9.035 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.064 -8.142 0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.959 -7.435 1.963 1.00 0.00 H new ATOM 282 N GLU A 19 -5.224 -3.112 5.585 1.00 0.00 N ATOM 283 CA GLU A 19 -5.112 -3.092 7.072 1.00 0.00 C ATOM 284 C GLU A 19 -5.049 -1.647 7.577 1.00 0.00 C ATOM 285 O GLU A 19 -5.417 -1.355 8.697 1.00 0.00 O ATOM 286 CB GLU A 19 -3.807 -3.828 7.384 1.00 0.00 C ATOM 287 CG GLU A 19 -3.945 -4.565 8.717 1.00 0.00 C ATOM 288 CD GLU A 19 -2.560 -4.979 9.220 1.00 0.00 C ATOM 289 OE1 GLU A 19 -1.978 -5.872 8.628 1.00 0.00 O ATOM 290 OE2 GLU A 19 -2.108 -4.396 10.192 1.00 0.00 O ATOM 0 H GLU A 19 -4.336 -3.105 5.082 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.968 -3.561 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.576 -4.535 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.980 -3.120 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.432 -3.923 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.576 -5.445 8.594 1.00 0.00 H new ATOM 297 N ALA A 20 -4.585 -0.742 6.758 1.00 0.00 N ATOM 298 CA ALA A 20 -4.502 0.682 7.193 1.00 0.00 C ATOM 299 C ALA A 20 -5.872 1.356 7.067 1.00 0.00 C ATOM 300 O ALA A 20 -6.311 2.061 7.954 1.00 0.00 O ATOM 301 CB ALA A 20 -3.497 1.330 6.240 1.00 0.00 C ATOM 0 H ALA A 20 -4.261 -0.926 5.809 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.196 0.777 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.380 2.383 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.535 0.826 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.859 1.243 5.216 1.00 0.00 H new ATOM 307 N ILE A 21 -6.547 1.147 5.971 1.00 0.00 N ATOM 308 CA ILE A 21 -7.887 1.778 5.788 1.00 0.00 C ATOM 309 C ILE A 21 -8.947 0.707 5.517 1.00 0.00 C ATOM 310 O ILE A 21 -10.092 0.842 5.901 1.00 0.00 O ATOM 311 CB ILE A 21 -7.735 2.700 4.576 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.923 1.992 3.487 1.00 0.00 C ATOM 313 CG2 ILE A 21 -7.011 3.981 4.998 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.150 2.690 2.146 1.00 0.00 C ATOM 0 H ILE A 21 -6.230 0.567 5.194 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.207 2.323 6.676 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.722 2.949 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.863 2.006 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.220 0.946 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.902 4.638 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.589 4.488 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.025 3.730 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.572 2.186 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.209 2.653 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.831 3.730 2.218 1.00 0.00 H new ATOM 326 N GLY A 22 -8.574 -0.358 4.861 1.00 0.00 N ATOM 327 CA GLY A 22 -9.559 -1.438 4.569 1.00 0.00 C ATOM 328 C GLY A 22 -10.128 -1.254 3.160 1.00 0.00 C ATOM 329 O GLY A 22 -11.290 -1.510 2.914 1.00 0.00 O ATOM 0 H GLY A 22 -7.630 -0.527 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.079 -2.413 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.365 -1.416 5.302 1.00 0.00 H new ATOM 333 N LYS A 23 -9.322 -0.814 2.232 1.00 0.00 N ATOM 334 CA LYS A 23 -9.827 -0.617 0.842 1.00 0.00 C ATOM 335 C LYS A 23 -9.015 -1.455 -0.147 1.00 0.00 C ATOM 336 O LYS A 23 -9.364 -1.576 -1.304 1.00 0.00 O ATOM 337 CB LYS A 23 -9.643 0.874 0.561 1.00 0.00 C ATOM 338 CG LYS A 23 -10.701 1.671 1.327 1.00 0.00 C ATOM 339 CD LYS A 23 -11.792 2.134 0.358 1.00 0.00 C ATOM 340 CE LYS A 23 -13.160 2.005 1.030 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.923 1.058 0.170 1.00 0.00 N ATOM 0 H LYS A 23 -8.339 -0.583 2.375 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.866 -0.928 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.645 1.191 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.730 1.067 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.136 1.055 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.242 2.532 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.616 3.168 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.764 1.534 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.066 1.626 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.661 2.971 1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.874 0.918 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.002 1.448 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.426 0.145 0.133 1.00 0.00 H new ATOM 355 N ALA A 24 -7.941 -2.036 0.303 1.00 0.00 N ATOM 356 CA ALA A 24 -7.102 -2.872 -0.607 1.00 0.00 C ATOM 357 C ALA A 24 -6.971 -2.202 -1.978 1.00 0.00 C ATOM 358 O ALA A 24 -7.141 -2.829 -3.005 1.00 0.00 O ATOM 359 CB ALA A 24 -7.855 -4.197 -0.728 1.00 0.00 C ATOM 0 H ALA A 24 -7.604 -1.970 1.263 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.090 -3.008 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.303 -4.871 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.955 -4.650 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.845 -4.016 -1.146 1.00 0.00 H new ATOM 365 N ALA A 25 -6.670 -0.933 -2.001 1.00 0.00 N ATOM 366 CA ALA A 25 -6.530 -0.227 -3.307 1.00 0.00 C ATOM 367 C ALA A 25 -5.276 0.652 -3.304 1.00 0.00 C ATOM 368 O ALA A 25 -5.356 1.863 -3.266 1.00 0.00 O ATOM 369 CB ALA A 25 -7.788 0.632 -3.429 1.00 0.00 C ATOM 0 H ALA A 25 -6.515 -0.355 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.427 -0.920 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.761 1.185 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.669 -0.009 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.832 1.333 -2.596 1.00 0.00 H new ATOM 375 N GLY A 26 -4.118 0.052 -3.343 1.00 0.00 N ATOM 376 CA GLY A 26 -2.864 0.856 -3.342 1.00 0.00 C ATOM 377 C GLY A 26 -1.761 0.087 -4.070 1.00 0.00 C ATOM 378 O GLY A 26 -1.978 -0.996 -4.576 1.00 0.00 O ATOM 0 H GLY A 26 -3.986 -0.959 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.035 1.816 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.558 1.069 -2.318 1.00 0.00 H new ATOM 382 N LYS A 27 -0.579 0.638 -4.127 1.00 0.00 N ATOM 383 CA LYS A 27 0.537 -0.063 -4.826 1.00 0.00 C ATOM 384 C LYS A 27 1.856 0.168 -4.081 1.00 0.00 C ATOM 385 O LYS A 27 1.930 0.954 -3.158 1.00 0.00 O ATOM 386 CB LYS A 27 0.596 0.569 -6.219 1.00 0.00 C ATOM 387 CG LYS A 27 -0.823 0.750 -6.767 1.00 0.00 C ATOM 388 CD LYS A 27 -0.758 1.434 -8.133 1.00 0.00 C ATOM 389 CE LYS A 27 -2.172 1.800 -8.592 1.00 0.00 C ATOM 390 NZ LYS A 27 -2.213 3.288 -8.564 1.00 0.00 N ATOM 0 H LYS A 27 -0.338 1.542 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 27 0.379 -1.141 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.102 1.533 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.177 -0.063 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.316 -0.218 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.417 1.348 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.141 2.330 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.289 0.772 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.373 1.418 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.925 1.372 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.153 3.615 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.025 3.622 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.490 3.667 -9.208 1.00 0.00 H new ATOM 404 N CYS A 28 2.897 -0.510 -4.480 1.00 0.00 N ATOM 405 CA CYS A 28 4.215 -0.328 -3.801 1.00 0.00 C ATOM 406 C CYS A 28 5.156 0.473 -4.702 1.00 0.00 C ATOM 407 O CYS A 28 5.387 0.122 -5.842 1.00 0.00 O ATOM 408 CB CYS A 28 4.749 -1.745 -3.585 1.00 0.00 C ATOM 409 SG CYS A 28 6.467 -1.665 -3.019 1.00 0.00 S ATOM 0 H CYS A 28 2.894 -1.183 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 28 4.130 0.218 -2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.137 -2.267 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.687 -2.314 -4.513 1.00 0.00 H new ATOM 414 N MET A 29 5.697 1.553 -4.206 1.00 0.00 N ATOM 415 CA MET A 29 6.615 2.375 -5.043 1.00 0.00 C ATOM 416 C MET A 29 7.848 2.790 -4.237 1.00 0.00 C ATOM 417 O MET A 29 7.743 3.340 -3.160 1.00 0.00 O ATOM 418 CB MET A 29 5.794 3.604 -5.437 1.00 0.00 C ATOM 419 CG MET A 29 6.695 4.616 -6.145 1.00 0.00 C ATOM 420 SD MET A 29 7.172 3.966 -7.765 1.00 0.00 S ATOM 421 CE MET A 29 5.672 4.452 -8.653 1.00 0.00 C ATOM 0 H MET A 29 5.543 1.900 -3.259 1.00 0.00 H new ATOM 0 HA MET A 29 6.979 1.828 -5.913 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.974 3.311 -6.092 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.348 4.056 -4.551 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.173 5.566 -6.261 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.583 4.812 -5.544 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.832 4.340 -9.725 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.843 3.817 -8.341 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.437 5.492 -8.428 1.00 0.00 H new ATOM 431 N ASN A 30 9.018 2.530 -4.754 1.00 0.00 N ATOM 432 CA ASN A 30 10.260 2.909 -4.022 1.00 0.00 C ATOM 433 C ASN A 30 10.252 2.307 -2.614 1.00 0.00 C ATOM 434 O ASN A 30 10.908 2.796 -1.715 1.00 0.00 O ATOM 435 CB ASN A 30 10.229 4.436 -3.955 1.00 0.00 C ATOM 436 CG ASN A 30 11.504 5.003 -4.583 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.452 5.660 -5.604 1.00 0.00 O ATOM 438 ND2 ASN A 30 12.655 4.774 -4.013 1.00 0.00 N ATOM 0 H ASN A 30 9.167 2.071 -5.653 1.00 0.00 H new ATOM 0 HA ASN A 30 11.159 2.541 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.353 4.815 -4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.145 4.763 -2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.511 5.146 -4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.699 4.223 -3.156 1.00 0.00 H new ATOM 445 N GLY A 31 9.516 1.247 -2.414 1.00 0.00 N ATOM 446 CA GLY A 31 9.471 0.614 -1.065 1.00 0.00 C ATOM 447 C GLY A 31 8.363 1.255 -0.228 1.00 0.00 C ATOM 448 O GLY A 31 8.188 0.944 0.932 1.00 0.00 O ATOM 0 H GLY A 31 8.944 0.792 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.293 -0.457 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.432 0.733 -0.565 1.00 0.00 H new ATOM 452 N LYS A 32 7.608 2.148 -0.803 1.00 0.00 N ATOM 453 CA LYS A 32 6.514 2.800 -0.029 1.00 0.00 C ATOM 454 C LYS A 32 5.155 2.243 -0.456 1.00 0.00 C ATOM 455 O LYS A 32 4.971 1.827 -1.582 1.00 0.00 O ATOM 456 CB LYS A 32 6.615 4.286 -0.373 1.00 0.00 C ATOM 457 CG LYS A 32 7.372 5.017 0.737 1.00 0.00 C ATOM 458 CD LYS A 32 8.876 4.920 0.477 1.00 0.00 C ATOM 459 CE LYS A 32 9.565 4.276 1.681 1.00 0.00 C ATOM 460 NZ LYS A 32 11.019 4.518 1.464 1.00 0.00 N ATOM 0 H LYS A 32 7.700 2.454 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 32 6.606 2.622 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.130 4.415 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.618 4.712 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.065 6.062 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.131 4.580 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.063 4.330 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.289 5.913 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.225 4.722 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.346 3.210 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.561 4.105 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.315 4.077 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.198 5.542 1.421 1.00 0.00 H new ATOM 474 N CYS A 33 4.200 2.233 0.434 1.00 0.00 N ATOM 475 CA CYS A 33 2.855 1.702 0.074 1.00 0.00 C ATOM 476 C CYS A 33 1.947 2.865 -0.333 1.00 0.00 C ATOM 477 O CYS A 33 1.796 3.827 0.396 1.00 0.00 O ATOM 478 CB CYS A 33 2.338 1.044 1.355 1.00 0.00 C ATOM 479 SG CYS A 33 1.516 -0.538 0.996 1.00 0.00 S ATOM 0 H CYS A 33 4.293 2.569 1.393 1.00 0.00 H new ATOM 0 HA CYS A 33 2.884 0.999 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.168 0.878 2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.639 1.715 1.855 1.00 0.00 H new ATOM 484 N LYS A 34 1.349 2.793 -1.489 1.00 0.00 N ATOM 485 CA LYS A 34 0.462 3.905 -1.932 1.00 0.00 C ATOM 486 C LYS A 34 -1.010 3.506 -1.805 1.00 0.00 C ATOM 487 O LYS A 34 -1.628 3.063 -2.753 1.00 0.00 O ATOM 488 CB LYS A 34 0.833 4.146 -3.396 1.00 0.00 C ATOM 489 CG LYS A 34 1.819 5.313 -3.482 1.00 0.00 C ATOM 490 CD LYS A 34 3.059 4.879 -4.267 1.00 0.00 C ATOM 491 CE LYS A 34 3.015 5.494 -5.668 1.00 0.00 C ATOM 492 NZ LYS A 34 1.816 4.892 -6.314 1.00 0.00 N ATOM 0 H LYS A 34 1.435 2.016 -2.144 1.00 0.00 H new ATOM 0 HA LYS A 34 0.593 4.800 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.277 3.247 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.062 4.367 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.347 6.166 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.104 5.636 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.962 5.197 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.097 3.792 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.935 6.580 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.922 5.266 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.888 4.998 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.762 3.882 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.960 5.375 -5.975 1.00 0.00 H new ATOM 506 N CYS A 35 -1.579 3.667 -0.639 1.00 0.00 N ATOM 507 CA CYS A 35 -3.013 3.305 -0.452 1.00 0.00 C ATOM 508 C CYS A 35 -3.910 4.473 -0.873 1.00 0.00 C ATOM 509 O CYS A 35 -3.543 5.625 -0.753 1.00 0.00 O ATOM 510 CB CYS A 35 -3.163 3.032 1.046 1.00 0.00 C ATOM 511 SG CYS A 35 -1.890 1.861 1.582 1.00 0.00 S ATOM 0 H CYS A 35 -1.112 4.033 0.191 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.303 2.444 -1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.074 3.963 1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.154 2.628 1.255 1.00 0.00 H new ATOM 516 N TYR A 36 -5.083 4.185 -1.366 1.00 0.00 N ATOM 517 CA TYR A 36 -6.004 5.278 -1.795 1.00 0.00 C ATOM 518 C TYR A 36 -7.357 5.136 -1.080 1.00 0.00 C ATOM 519 O TYR A 36 -8.116 4.236 -1.383 1.00 0.00 O ATOM 520 CB TYR A 36 -6.172 5.083 -3.302 1.00 0.00 C ATOM 521 CG TYR A 36 -5.126 5.890 -4.034 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.316 7.263 -4.239 1.00 0.00 C ATOM 523 CD2 TYR A 36 -3.966 5.266 -4.506 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.344 8.011 -4.916 1.00 0.00 C ATOM 525 CE2 TYR A 36 -2.995 6.014 -5.184 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.184 7.386 -5.389 1.00 0.00 C ATOM 527 OH TYR A 36 -2.227 8.122 -6.058 1.00 0.00 O ATOM 0 H TYR A 36 -5.445 3.240 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.616 6.268 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.076 4.027 -3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.170 5.395 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.212 7.745 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.819 4.208 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.490 9.070 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.100 5.532 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.486 7.536 -6.317 1.00 0.00 H new ATOM 537 N PRO A 37 -7.622 6.024 -0.152 1.00 0.00 N ATOM 538 CA PRO A 37 -8.898 5.976 0.603 1.00 0.00 C ATOM 539 C PRO A 37 -10.092 6.138 -0.344 1.00 0.00 C ATOM 540 O PRO A 37 -10.516 7.264 -0.542 1.00 0.00 O ATOM 541 CB PRO A 37 -8.777 7.175 1.547 1.00 0.00 C ATOM 542 CG PRO A 37 -7.424 7.869 1.298 1.00 0.00 C ATOM 543 CD PRO A 37 -6.678 7.113 0.192 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.561 5.133 -0.852 1.00 0.00 O ATOM 0 HA PRO A 37 -9.062 5.033 1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.596 7.873 1.377 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.848 6.847 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.580 8.907 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.832 7.881 2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.468 7.753 -0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.721 6.724 0.541 1.00 0.00 H new TER 552 PRO A 37