USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 283 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 155:sc= 0.842 (180deg=-0.626) USER MOD Set 1.2: A 37 TYR OH : rot 30:sc= 0.81 USER MOD Set 2.1: A 9 SER OG : rot 170:sc= 0.167 USER MOD Set 2.2: A 11 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.214) USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 2.34 (180deg=0.876) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.28 K(o=1.3,f=-8.2!) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 2.51 (180deg=2.33) USER MOD Single : A 20 GLN :FLIP amide:sc= 0.556 F(o=0,f=0.56) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 1.2 (180deg=1.1) USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= 1.04 (180deg=-0.753) USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 2.915 2.063 -2.456 1.00 1.00 N ATOM 18 CA VAL A 2 3.050 3.375 -3.008 1.00 1.00 C ATOM 19 C VAL A 2 2.999 3.014 -4.465 1.00 1.00 C ATOM 20 O VAL A 2 3.560 2.005 -4.884 1.00 1.00 O ATOM 21 CB VAL A 2 4.374 4.062 -2.696 1.00 1.00 C ATOM 22 CG1 VAL A 2 4.415 5.461 -3.350 1.00 1.00 C ATOM 23 CG2 VAL A 2 4.554 4.165 -1.169 1.00 1.00 C ATOM 0 HA VAL A 2 2.311 4.081 -2.629 1.00 1.00 H new ATOM 0 HB VAL A 2 5.194 3.472 -3.106 1.00 1.00 H new ATOM 0 HG11 VAL A 2 5.366 5.942 -3.120 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.311 5.361 -4.430 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.598 6.068 -2.961 1.00 1.00 H new ATOM 0 HG21 VAL A 2 5.501 4.656 -0.947 1.00 1.00 H new ATOM 0 HG22 VAL A 2 3.735 4.746 -0.744 1.00 1.00 H new ATOM 0 HG23 VAL A 2 4.553 3.165 -0.734 1.00 1.00 H new ATOM 33 N ILE A 3 2.252 3.787 -5.226 1.00 1.00 N ATOM 34 CA ILE A 3 2.063 3.758 -6.623 1.00 1.00 C ATOM 35 C ILE A 3 2.292 5.203 -6.984 1.00 1.00 C ATOM 36 O ILE A 3 2.090 6.114 -6.183 1.00 1.00 O ATOM 37 CB ILE A 3 0.626 3.400 -6.991 1.00 1.00 C ATOM 38 CG1 ILE A 3 -0.332 3.372 -5.776 1.00 1.00 C ATOM 39 CG2 ILE A 3 0.673 2.059 -7.741 1.00 1.00 C ATOM 40 CD1 ILE A 3 -1.812 3.293 -6.176 1.00 1.00 C ATOM 0 H ILE A 3 1.704 4.537 -4.805 1.00 1.00 H new ATOM 0 HA ILE A 3 2.704 3.030 -7.121 1.00 1.00 H new ATOM 0 HB ILE A 3 0.207 4.178 -7.629 1.00 1.00 H new ATOM 0 HG12 ILE A 3 -0.086 2.517 -5.147 1.00 1.00 H new ATOM 0 HG13 ILE A 3 -0.172 4.267 -5.174 1.00 1.00 H new ATOM 0 HG21 ILE A 3 -0.338 1.765 -8.024 1.00 1.00 H new ATOM 0 HG22 ILE A 3 1.284 2.165 -8.637 1.00 1.00 H new ATOM 0 HG23 ILE A 3 1.106 1.296 -7.095 1.00 1.00 H new ATOM 0 HD11 ILE A 3 -2.431 3.277 -5.279 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -2.072 4.162 -6.781 1.00 1.00 H new ATOM 0 HD13 ILE A 3 -1.985 2.384 -6.753 1.00 1.00 H new ATOM 52 N ASP A 4 2.673 5.436 -8.235 1.00 1.00 N ATOM 53 CA ASP A 4 2.921 6.718 -8.833 1.00 1.00 C ATOM 54 C ASP A 4 1.672 7.242 -9.539 1.00 1.00 C ATOM 55 O ASP A 4 1.670 7.754 -10.660 1.00 1.00 O ATOM 56 CB ASP A 4 4.210 6.671 -9.696 1.00 1.00 C ATOM 57 CG ASP A 4 4.753 8.061 -9.927 1.00 1.00 C ATOM 58 OD1 ASP A 4 4.829 8.845 -8.947 1.00 1.00 O ATOM 59 OD2 ASP A 4 5.051 8.417 -11.092 1.00 1.00 O ATOM 0 H ASP A 4 2.824 4.672 -8.894 1.00 1.00 H new ATOM 0 HA ASP A 4 3.126 7.461 -8.062 1.00 1.00 H new ATOM 0 HB2 ASP A 4 4.963 6.060 -9.199 1.00 1.00 H new ATOM 0 HB3 ASP A 4 3.995 6.196 -10.653 1.00 1.00 H new ATOM 64 N VAL A 5 0.558 7.148 -8.803 1.00 1.00 N ATOM 65 CA VAL A 5 -0.721 7.733 -9.114 1.00 1.00 C ATOM 66 C VAL A 5 -0.754 9.063 -8.400 1.00 1.00 C ATOM 67 O VAL A 5 -0.541 9.124 -7.189 1.00 1.00 O ATOM 68 CB VAL A 5 -1.898 6.873 -8.666 1.00 1.00 C ATOM 69 CG1 VAL A 5 -3.236 7.613 -8.875 1.00 1.00 C ATOM 70 CG2 VAL A 5 -1.893 5.562 -9.477 1.00 1.00 C ATOM 0 H VAL A 5 0.540 6.628 -7.926 1.00 1.00 H new ATOM 0 HA VAL A 5 -0.825 7.831 -10.195 1.00 1.00 H new ATOM 0 HB VAL A 5 -1.796 6.658 -7.602 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -4.058 6.977 -8.547 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -3.236 8.535 -8.294 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -3.359 7.850 -9.932 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -2.731 4.938 -9.165 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -1.986 5.791 -10.539 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -0.959 5.029 -9.301 1.00 1.00 H new ATOM 80 N LYS A 6 -0.963 10.165 -9.141 1.00 1.00 N ATOM 81 CA LYS A 6 -0.808 11.505 -8.614 1.00 1.00 C ATOM 82 C LYS A 6 -2.131 12.042 -8.113 1.00 1.00 C ATOM 83 O LYS A 6 -3.198 11.771 -8.663 1.00 1.00 O ATOM 84 CB LYS A 6 -0.214 12.523 -9.625 1.00 1.00 C ATOM 85 CG LYS A 6 1.239 12.276 -10.055 1.00 1.00 C ATOM 86 CD LYS A 6 1.438 11.146 -11.084 1.00 1.00 C ATOM 87 CE LYS A 6 2.910 10.874 -11.411 1.00 1.00 C ATOM 88 NZ LYS A 6 3.039 9.608 -12.153 1.00 1.00 N ATOM 0 H LYS A 6 -1.244 10.137 -10.121 1.00 1.00 H new ATOM 0 HA LYS A 6 -0.093 11.403 -7.798 1.00 1.00 H new ATOM 0 HB2 LYS A 6 -0.840 12.526 -10.517 1.00 1.00 H new ATOM 0 HB3 LYS A 6 -0.278 13.519 -9.187 1.00 1.00 H new ATOM 0 HG2 LYS A 6 1.639 13.200 -10.473 1.00 1.00 H new ATOM 0 HG3 LYS A 6 1.829 12.045 -9.168 1.00 1.00 H new ATOM 0 HD2 LYS A 6 0.983 10.232 -10.702 1.00 1.00 H new ATOM 0 HD3 LYS A 6 0.911 11.404 -12.003 1.00 1.00 H new ATOM 0 HE2 LYS A 6 3.317 11.694 -12.003 1.00 1.00 H new ATOM 0 HE3 LYS A 6 3.492 10.826 -10.491 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 4.002 9.233 -12.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 2.352 8.919 -11.786 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 2.854 9.777 -13.162 1.00 1.00 H new ATOM 102 N CYS A 7 -2.085 12.820 -7.025 1.00 1.00 N ATOM 103 CA CYS A 7 -3.264 13.319 -6.385 1.00 1.00 C ATOM 104 C CYS A 7 -3.126 14.675 -5.743 1.00 1.00 C ATOM 105 O CYS A 7 -2.066 15.121 -5.313 1.00 1.00 O ATOM 106 CB CYS A 7 -3.751 12.331 -5.299 1.00 1.00 C ATOM 107 SG CYS A 7 -2.430 11.539 -4.327 1.00 1.00 S ATOM 0 H CYS A 7 -1.216 13.111 -6.578 1.00 1.00 H new ATOM 0 HA CYS A 7 -3.982 13.423 -7.199 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -4.414 12.863 -4.617 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -4.345 11.553 -5.778 1.00 1.00 H new ATOM 112 N THR A 8 -4.292 15.324 -5.624 1.00 1.00 N ATOM 113 CA THR A 8 -4.581 16.381 -4.667 1.00 1.00 C ATOM 114 C THR A 8 -5.570 15.881 -3.630 1.00 1.00 C ATOM 115 O THR A 8 -5.627 16.321 -2.488 1.00 1.00 O ATOM 116 CB THR A 8 -5.052 17.677 -5.341 1.00 1.00 C ATOM 117 OG1 THR A 8 -5.436 18.688 -4.418 1.00 1.00 O ATOM 118 CG2 THR A 8 -6.267 17.437 -6.252 1.00 1.00 C ATOM 0 H THR A 8 -5.090 15.111 -6.223 1.00 1.00 H new ATOM 0 HA THR A 8 -3.651 16.640 -4.161 1.00 1.00 H new ATOM 0 HB THR A 8 -4.185 18.010 -5.911 1.00 1.00 H new ATOM 0 HG1 THR A 8 -5.724 19.486 -4.908 1.00 1.00 H new ATOM 0 HG21 THR A 8 -6.570 18.378 -6.710 1.00 1.00 H new ATOM 0 HG22 THR A 8 -6.002 16.723 -7.031 1.00 1.00 H new ATOM 0 HG23 THR A 8 -7.092 17.039 -5.661 1.00 1.00 H new ATOM 126 N SER A 9 -6.367 14.874 -4.003 1.00 1.00 N ATOM 127 CA SER A 9 -7.467 14.368 -3.201 1.00 1.00 C ATOM 128 C SER A 9 -7.228 12.920 -2.837 1.00 1.00 C ATOM 129 O SER A 9 -6.715 12.179 -3.675 1.00 1.00 O ATOM 130 CB SER A 9 -8.808 14.415 -3.995 1.00 1.00 C ATOM 131 OG SER A 9 -9.972 14.131 -3.204 1.00 1.00 O ATOM 0 H SER A 9 -6.256 14.383 -4.890 1.00 1.00 H new ATOM 0 HA SER A 9 -7.527 14.995 -2.312 1.00 1.00 H new ATOM 0 HB2 SER A 9 -8.918 15.403 -4.441 1.00 1.00 H new ATOM 0 HB3 SER A 9 -8.757 13.699 -4.815 1.00 1.00 H new ATOM 0 HG SER A 9 -10.778 14.335 -3.723 1.00 1.00 H new ATOM 137 N PRO A 10 -7.647 12.408 -1.679 1.00 1.00 N ATOM 138 CA PRO A 10 -7.685 10.968 -1.432 1.00 1.00 C ATOM 139 C PRO A 10 -8.681 10.263 -2.330 1.00 1.00 C ATOM 140 O PRO A 10 -8.613 9.054 -2.514 1.00 1.00 O ATOM 141 CB PRO A 10 -8.131 10.871 0.019 1.00 1.00 C ATOM 142 CG PRO A 10 -8.908 12.160 0.290 1.00 1.00 C ATOM 143 CD PRO A 10 -8.128 13.180 -0.525 1.00 1.00 C ATOM 0 HA PRO A 10 -6.724 10.494 -1.632 1.00 1.00 H new ATOM 0 HB2 PRO A 10 -8.757 9.993 0.180 1.00 1.00 H new ATOM 0 HB3 PRO A 10 -7.275 10.780 0.688 1.00 1.00 H new ATOM 0 HG2 PRO A 10 -9.946 12.086 -0.035 1.00 1.00 H new ATOM 0 HG3 PRO A 10 -8.923 12.411 1.351 1.00 1.00 H new ATOM 0 HD2 PRO A 10 -8.760 14.012 -0.835 1.00 1.00 H new ATOM 0 HD3 PRO A 10 -7.302 13.602 0.047 1.00 1.00 H new ATOM 151 N LYS A 11 -9.616 10.996 -2.949 1.00 1.00 N ATOM 152 CA LYS A 11 -10.584 10.397 -3.855 1.00 1.00 C ATOM 153 C LYS A 11 -9.920 9.692 -5.038 1.00 1.00 C ATOM 154 O LYS A 11 -10.223 8.551 -5.380 1.00 1.00 O ATOM 155 CB LYS A 11 -11.635 11.444 -4.308 1.00 1.00 C ATOM 156 CG LYS A 11 -12.753 10.859 -5.185 1.00 1.00 C ATOM 157 CD LYS A 11 -14.045 11.701 -5.289 1.00 1.00 C ATOM 158 CE LYS A 11 -13.933 13.054 -6.009 1.00 1.00 C ATOM 159 NZ LYS A 11 -13.408 14.104 -5.104 1.00 1.00 N ATOM 0 H LYS A 11 -9.716 12.005 -2.834 1.00 1.00 H new ATOM 0 HA LYS A 11 -11.110 9.618 -3.303 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -12.081 11.903 -3.426 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -11.130 12.237 -4.860 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -12.358 10.710 -6.190 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -13.015 9.875 -4.796 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -14.799 11.104 -5.802 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -14.415 11.883 -4.280 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -13.277 12.955 -6.874 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -14.912 13.351 -6.384 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -13.820 15.023 -5.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -13.663 13.875 -4.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -12.373 14.152 -5.191 1.00 1.00 H new ATOM 173 N GLN A 12 -8.893 10.350 -5.595 1.00 1.00 N ATOM 174 CA GLN A 12 -8.048 9.862 -6.675 1.00 1.00 C ATOM 175 C GLN A 12 -7.224 8.639 -6.310 1.00 1.00 C ATOM 176 O GLN A 12 -6.730 7.913 -7.165 1.00 1.00 O ATOM 177 CB GLN A 12 -7.067 10.979 -7.102 1.00 1.00 C ATOM 178 CG GLN A 12 -7.759 12.221 -7.706 1.00 1.00 C ATOM 179 CD GLN A 12 -6.766 13.375 -7.812 1.00 1.00 C ATOM 180 OE1 GLN A 12 -6.557 14.106 -6.838 1.00 1.00 O ATOM 181 NE2 GLN A 12 -6.127 13.543 -8.985 1.00 1.00 N ATOM 0 H GLN A 12 -8.622 11.283 -5.283 1.00 1.00 H new ATOM 0 HA GLN A 12 -8.726 9.575 -7.479 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -6.482 11.286 -6.235 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -6.366 10.574 -7.832 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -8.157 11.982 -8.692 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -8.604 12.514 -7.084 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -6.325 12.920 -9.768 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -5.444 14.294 -9.091 1.00 1.00 H new ATOM 190 N CYS A 13 -7.089 8.364 -5.007 1.00 1.00 N ATOM 191 CA CYS A 13 -6.399 7.205 -4.514 1.00 1.00 C ATOM 192 C CYS A 13 -7.310 5.987 -4.510 1.00 1.00 C ATOM 193 O CYS A 13 -6.848 4.849 -4.603 1.00 1.00 O ATOM 194 CB CYS A 13 -5.929 7.502 -3.084 1.00 1.00 C ATOM 195 SG CYS A 13 -4.198 7.958 -2.887 1.00 1.00 S ATOM 0 H CYS A 13 -7.467 8.959 -4.270 1.00 1.00 H new ATOM 0 HA CYS A 13 -5.551 6.986 -5.163 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -6.542 8.309 -2.684 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -6.122 6.621 -2.471 1.00 1.00 H new ATOM 200 N LEU A 14 -8.639 6.182 -4.369 1.00 1.00 N ATOM 201 CA LEU A 14 -9.524 5.116 -3.945 1.00 1.00 C ATOM 202 C LEU A 14 -9.729 4.010 -4.985 1.00 1.00 C ATOM 203 O LEU A 14 -9.452 2.853 -4.648 1.00 1.00 O ATOM 204 CB LEU A 14 -10.831 5.700 -3.346 1.00 1.00 C ATOM 205 CG LEU A 14 -11.132 5.247 -1.903 1.00 1.00 C ATOM 206 CD1 LEU A 14 -12.317 6.037 -1.332 1.00 1.00 C ATOM 207 CD2 LEU A 14 -11.412 3.743 -1.808 1.00 1.00 C ATOM 0 H LEU A 14 -9.106 7.071 -4.546 1.00 1.00 H new ATOM 0 HA LEU A 14 -9.022 4.580 -3.140 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -10.770 6.788 -3.366 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -11.667 5.415 -3.985 1.00 1.00 H new ATOM 0 HG LEU A 14 -10.238 5.450 -1.313 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -12.518 5.706 -0.313 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -12.077 7.100 -1.328 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -13.199 5.866 -1.949 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.618 3.476 -0.771 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -12.275 3.494 -2.425 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -10.542 3.188 -2.160 1.00 1.00 H new ATOM 219 N PRO A 15 -10.126 4.258 -6.239 1.00 1.00 N ATOM 220 CA PRO A 15 -10.188 3.218 -7.265 1.00 1.00 C ATOM 221 C PRO A 15 -8.874 2.481 -7.533 1.00 1.00 C ATOM 222 O PRO A 15 -8.978 1.256 -7.569 1.00 1.00 O ATOM 223 CB PRO A 15 -10.760 3.927 -8.510 1.00 1.00 C ATOM 224 CG PRO A 15 -11.510 5.137 -7.941 1.00 1.00 C ATOM 225 CD PRO A 15 -10.666 5.532 -6.729 1.00 1.00 C ATOM 0 HA PRO A 15 -10.821 2.396 -6.930 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -9.968 4.234 -9.193 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -11.427 3.272 -9.070 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -11.576 5.947 -8.667 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -12.530 4.881 -7.655 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -9.869 6.223 -7.006 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -11.268 6.029 -5.968 1.00 1.00 H new ATOM 233 N PRO A 16 -7.659 3.029 -7.699 1.00 1.00 N ATOM 234 CA PRO A 16 -6.465 2.205 -7.858 1.00 1.00 C ATOM 235 C PRO A 16 -6.127 1.439 -6.609 1.00 1.00 C ATOM 236 O PRO A 16 -5.690 0.292 -6.665 1.00 1.00 O ATOM 237 CB PRO A 16 -5.341 3.194 -8.214 1.00 1.00 C ATOM 238 CG PRO A 16 -5.877 4.581 -7.852 1.00 1.00 C ATOM 239 CD PRO A 16 -7.388 4.436 -7.997 1.00 1.00 C ATOM 0 HA PRO A 16 -6.614 1.447 -8.627 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -4.431 2.969 -7.658 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -5.090 3.136 -9.273 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -5.598 4.865 -6.837 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.483 5.349 -8.518 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -7.917 5.095 -7.308 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.716 4.697 -9.003 1.00 1.00 H new ATOM 247 N CYS A 17 -6.316 2.030 -5.430 1.00 1.00 N ATOM 248 CA CYS A 17 -6.001 1.364 -4.196 1.00 1.00 C ATOM 249 C CYS A 17 -6.862 0.137 -3.954 1.00 1.00 C ATOM 250 O CYS A 17 -6.416 -0.890 -3.472 1.00 1.00 O ATOM 251 CB CYS A 17 -6.044 2.296 -2.977 1.00 1.00 C ATOM 252 SG CYS A 17 -4.931 1.711 -1.671 1.00 1.00 S ATOM 0 H CYS A 17 -6.688 2.973 -5.318 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.970 1.032 -4.316 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -5.760 3.305 -3.276 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -7.063 2.352 -2.593 1.00 1.00 H new ATOM 257 N LYS A 18 -8.144 0.215 -4.333 1.00 1.00 N ATOM 258 CA LYS A 18 -9.023 -0.940 -4.354 1.00 1.00 C ATOM 259 C LYS A 18 -8.760 -1.982 -5.427 1.00 1.00 C ATOM 260 O LYS A 18 -9.311 -3.076 -5.377 1.00 1.00 O ATOM 261 CB LYS A 18 -10.509 -0.510 -4.485 1.00 1.00 C ATOM 262 CG LYS A 18 -11.064 0.325 -3.327 1.00 1.00 C ATOM 263 CD LYS A 18 -11.389 -0.482 -2.065 1.00 1.00 C ATOM 264 CE LYS A 18 -10.743 0.043 -0.787 1.00 1.00 C ATOM 265 NZ LYS A 18 -9.290 -0.152 -0.859 1.00 1.00 N ATOM 0 H LYS A 18 -8.591 1.082 -4.631 1.00 1.00 H new ATOM 0 HA LYS A 18 -8.803 -1.416 -3.398 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -10.623 0.060 -5.407 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -11.120 -1.407 -4.587 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -10.339 1.099 -3.073 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -11.968 0.833 -3.662 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -12.470 -0.498 -1.929 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -11.072 -1.514 -2.219 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -10.973 1.101 -0.658 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -11.149 -0.479 0.080 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -8.885 -0.104 0.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -9.085 -1.083 -1.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.869 0.593 -1.450 1.00 1.00 H new ATOM 279 N ALA A 19 -7.914 -1.669 -6.411 1.00 1.00 N ATOM 280 CA ALA A 19 -7.736 -2.450 -7.628 1.00 1.00 C ATOM 281 C ALA A 19 -7.041 -3.772 -7.397 1.00 1.00 C ATOM 282 O ALA A 19 -7.267 -4.775 -8.067 1.00 1.00 O ATOM 283 CB ALA A 19 -6.880 -1.654 -8.627 1.00 1.00 C ATOM 0 H ALA A 19 -7.319 -0.841 -6.378 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.738 -2.651 -8.007 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -6.746 -2.238 -9.538 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -7.380 -0.716 -8.867 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -5.906 -1.444 -8.185 1.00 1.00 H new ATOM 289 N GLN A 20 -6.125 -3.739 -6.429 1.00 1.00 N ATOM 290 CA GLN A 20 -5.256 -4.828 -6.099 1.00 1.00 C ATOM 291 C GLN A 20 -4.613 -4.629 -4.747 1.00 1.00 C ATOM 292 O GLN A 20 -4.288 -5.584 -4.050 1.00 1.00 O ATOM 293 CB GLN A 20 -4.170 -5.075 -7.183 1.00 1.00 C ATOM 294 CG GLN A 20 -3.286 -3.842 -7.505 1.00 1.00 C ATOM 295 CD GLN A 20 -2.239 -4.130 -8.580 1.00 1.00 C ATOM 296 OE1 GLN A 20 -2.698 -4.550 -9.778 1.00 1.00 O flip ATOM 297 NE2 GLN A 20 -1.036 -3.967 -8.377 1.00 1.00 N flip ATOM 0 H GLN A 20 -5.976 -2.917 -5.843 1.00 1.00 H new ATOM 0 HA GLN A 20 -5.884 -5.718 -6.059 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -3.526 -5.891 -6.854 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -4.659 -5.404 -8.100 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -3.922 -3.020 -7.834 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -2.785 -3.512 -6.595 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -0.711 -3.649 -7.464 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -0.364 -4.150 -9.122 1.00 1.00 H new ATOM 306 N PHE A 21 -4.422 -3.369 -4.303 1.00 1.00 N ATOM 307 CA PHE A 21 -3.697 -3.081 -3.097 1.00 1.00 C ATOM 308 C PHE A 21 -4.513 -3.309 -1.837 1.00 1.00 C ATOM 309 O PHE A 21 -3.967 -3.417 -0.742 1.00 1.00 O ATOM 310 CB PHE A 21 -3.186 -1.632 -3.198 1.00 1.00 C ATOM 311 CG PHE A 21 -2.235 -1.494 -4.359 1.00 1.00 C ATOM 312 CD1 PHE A 21 -1.113 -2.338 -4.474 1.00 1.00 C ATOM 313 CD2 PHE A 21 -2.479 -0.555 -5.373 1.00 1.00 C ATOM 314 CE1 PHE A 21 -0.256 -2.242 -5.577 1.00 1.00 C ATOM 315 CE2 PHE A 21 -1.634 -0.469 -6.485 1.00 1.00 C ATOM 316 CZ PHE A 21 -0.517 -1.306 -6.582 1.00 1.00 C ATOM 0 H PHE A 21 -4.774 -2.542 -4.785 1.00 1.00 H new ATOM 0 HA PHE A 21 -2.862 -3.775 -3.008 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -4.027 -0.950 -3.325 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -2.684 -1.351 -2.272 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -0.912 -3.067 -3.703 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -3.328 0.108 -5.294 1.00 1.00 H new ATOM 0 HE1 PHE A 21 0.605 -2.890 -5.651 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -1.844 0.244 -7.269 1.00 1.00 H new ATOM 0 HZ PHE A 21 0.143 -1.229 -7.433 1.00 1.00 H new ATOM 326 N GLY A 22 -5.845 -3.437 -1.979 1.00 1.00 N ATOM 327 CA GLY A 22 -6.627 -4.257 -1.080 1.00 1.00 C ATOM 328 C GLY A 22 -8.069 -3.868 -1.036 1.00 1.00 C ATOM 329 O GLY A 22 -8.450 -2.721 -1.277 1.00 1.00 O ATOM 0 H GLY A 22 -6.387 -2.978 -2.711 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -6.547 -5.300 -1.387 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -6.207 -4.187 -0.076 1.00 1.00 H new ATOM 333 N ILE A 23 -8.945 -4.822 -0.681 1.00 1.00 N ATOM 334 CA ILE A 23 -10.377 -4.656 -0.701 1.00 1.00 C ATOM 335 C ILE A 23 -10.866 -3.718 0.371 1.00 1.00 C ATOM 336 O ILE A 23 -11.680 -2.832 0.135 1.00 1.00 O ATOM 337 CB ILE A 23 -11.061 -6.022 -0.692 1.00 1.00 C ATOM 338 CG1 ILE A 23 -12.582 -5.856 -0.858 1.00 1.00 C ATOM 339 CG2 ILE A 23 -10.693 -6.858 0.550 1.00 1.00 C ATOM 340 CD1 ILE A 23 -13.322 -7.168 -1.145 1.00 1.00 C ATOM 0 H ILE A 23 -8.653 -5.747 -0.367 1.00 1.00 H new ATOM 0 HA ILE A 23 -10.658 -4.164 -1.632 1.00 1.00 H new ATOM 0 HB ILE A 23 -10.689 -6.589 -1.545 1.00 1.00 H new ATOM 0 HG12 ILE A 23 -12.990 -5.411 0.049 1.00 1.00 H new ATOM 0 HG13 ILE A 23 -12.775 -5.156 -1.671 1.00 1.00 H new ATOM 0 HG21 ILE A 23 -11.206 -7.819 0.507 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -9.616 -7.022 0.572 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -10.997 -6.325 1.451 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -14.389 -6.969 -1.249 1.00 1.00 H new ATOM 0 HD12 ILE A 23 -12.943 -7.605 -2.069 1.00 1.00 H new ATOM 0 HD13 ILE A 23 -13.162 -7.864 -0.322 1.00 1.00 H new ATOM 352 N ARG A 24 -10.306 -3.834 1.581 1.00 1.00 N ATOM 353 CA ARG A 24 -10.593 -2.926 2.671 1.00 1.00 C ATOM 354 C ARG A 24 -9.612 -1.757 2.681 1.00 1.00 C ATOM 355 O ARG A 24 -9.896 -0.703 3.239 1.00 1.00 O ATOM 356 CB ARG A 24 -10.564 -3.744 3.981 1.00 1.00 C ATOM 357 CG ARG A 24 -11.283 -3.105 5.195 1.00 1.00 C ATOM 358 CD ARG A 24 -10.476 -2.144 6.084 1.00 1.00 C ATOM 359 NE ARG A 24 -9.228 -2.856 6.478 1.00 1.00 N ATOM 360 CZ ARG A 24 -9.179 -3.883 7.325 1.00 1.00 C ATOM 361 NH1 ARG A 24 -9.813 -3.855 8.487 1.00 1.00 N ATOM 362 NH2 ARG A 24 -8.391 -4.908 7.052 1.00 1.00 N ATOM 0 H ARG A 24 -9.639 -4.568 1.821 1.00 1.00 H new ATOM 0 HA ARG A 24 -11.580 -2.477 2.554 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -11.014 -4.718 3.788 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -9.523 -3.922 4.252 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -12.153 -2.565 4.822 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -11.655 -3.912 5.826 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -10.242 -1.226 5.545 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -11.051 -1.859 6.965 1.00 1.00 H new ATOM 0 HE ARG A 24 -8.350 -2.535 6.071 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -10.356 -3.033 8.752 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -9.759 -4.655 9.117 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -7.829 -4.907 6.201 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -8.345 -5.700 7.693 1.00 1.00 H new ATOM 376 N ALA A 25 -8.460 -1.924 1.993 1.00 1.00 N ATOM 377 CA ALA A 25 -7.258 -1.095 2.088 1.00 1.00 C ATOM 378 C ALA A 25 -7.439 0.407 2.072 1.00 1.00 C ATOM 379 O ALA A 25 -8.280 0.950 1.349 1.00 1.00 O ATOM 380 CB ALA A 25 -6.251 -1.456 0.977 1.00 1.00 C ATOM 0 H ALA A 25 -8.348 -2.685 1.323 1.00 1.00 H new ATOM 0 HA ALA A 25 -6.896 -1.336 3.087 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -5.366 -0.826 1.069 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -5.963 -2.503 1.073 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -6.711 -1.295 0.002 1.00 1.00 H new ATOM 386 N GLY A 26 -6.607 1.142 2.837 1.00 1.00 N ATOM 387 CA GLY A 26 -6.789 2.568 3.013 1.00 1.00 C ATOM 388 C GLY A 26 -5.948 3.249 2.010 1.00 1.00 C ATOM 389 O GLY A 26 -5.061 2.652 1.416 1.00 1.00 O ATOM 0 H GLY A 26 -5.806 0.756 3.337 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -7.837 2.840 2.883 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -6.504 2.869 4.021 1.00 1.00 H new ATOM 393 N ALA A 27 -6.191 4.528 1.774 1.00 1.00 N ATOM 394 CA ALA A 27 -5.570 5.158 0.645 1.00 1.00 C ATOM 395 C ALA A 27 -5.572 6.653 0.836 1.00 1.00 C ATOM 396 O ALA A 27 -6.610 7.261 1.087 1.00 1.00 O ATOM 397 CB ALA A 27 -6.351 4.782 -0.618 1.00 1.00 C ATOM 0 H ALA A 27 -6.796 5.126 2.336 1.00 1.00 H new ATOM 0 HA ALA A 27 -4.538 4.822 0.547 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -5.890 5.254 -1.485 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -6.338 3.699 -0.745 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -7.382 5.124 -0.524 1.00 1.00 H new ATOM 403 N LYS A 28 -4.404 7.299 0.757 1.00 1.00 N ATOM 404 CA LYS A 28 -4.381 8.737 0.938 1.00 1.00 C ATOM 405 C LYS A 28 -3.223 9.321 0.187 1.00 1.00 C ATOM 406 O LYS A 28 -2.365 8.613 -0.318 1.00 1.00 O ATOM 407 CB LYS A 28 -4.410 9.151 2.439 1.00 1.00 C ATOM 408 CG LYS A 28 -3.336 8.496 3.321 1.00 1.00 C ATOM 409 CD LYS A 28 -2.014 9.279 3.401 1.00 1.00 C ATOM 410 CE LYS A 28 -1.941 10.350 4.496 1.00 1.00 C ATOM 411 NZ LYS A 28 -2.160 9.732 5.823 1.00 1.00 N ATOM 0 H LYS A 28 -3.500 6.862 0.576 1.00 1.00 H new ATOM 0 HA LYS A 28 -5.297 9.154 0.519 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -4.299 10.233 2.503 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -5.391 8.907 2.847 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.734 8.376 4.328 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -3.129 7.496 2.939 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.202 8.569 3.558 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.838 9.758 2.438 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -0.969 10.842 4.471 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -2.692 11.119 4.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -1.711 10.317 6.557 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -3.181 9.665 6.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -1.742 8.780 5.836 1.00 1.00 H new ATOM 425 N CYS A 29 -3.186 10.650 0.078 1.00 1.00 N ATOM 426 CA CYS A 29 -2.201 11.343 -0.719 1.00 1.00 C ATOM 427 C CYS A 29 -1.068 11.905 0.120 1.00 1.00 C ATOM 428 O CYS A 29 -1.293 12.413 1.217 1.00 1.00 O ATOM 429 CB CYS A 29 -2.864 12.490 -1.522 1.00 1.00 C ATOM 430 SG CYS A 29 -1.879 12.948 -2.976 1.00 1.00 S ATOM 0 H CYS A 29 -3.847 11.269 0.547 1.00 1.00 H new ATOM 0 HA CYS A 29 -1.777 10.607 -1.403 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -3.861 12.183 -1.840 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.989 13.360 -0.878 1.00 1.00 H new ATOM 435 N MET A 30 0.178 11.811 -0.354 1.00 1.00 N ATOM 436 CA MET A 30 1.313 12.518 0.192 1.00 1.00 C ATOM 437 C MET A 30 2.429 12.500 -0.830 1.00 1.00 C ATOM 438 O MET A 30 2.531 11.558 -1.617 1.00 1.00 O ATOM 439 CB MET A 30 1.804 11.821 1.472 1.00 1.00 C ATOM 440 CG MET A 30 2.795 12.609 2.344 1.00 1.00 C ATOM 441 SD MET A 30 3.224 11.704 3.857 1.00 1.00 S ATOM 442 CE MET A 30 4.327 12.993 4.504 1.00 1.00 C ATOM 0 H MET A 30 0.419 11.221 -1.151 1.00 1.00 H new ATOM 0 HA MET A 30 1.023 13.542 0.429 1.00 1.00 H new ATOM 0 HB2 MET A 30 0.935 11.574 2.081 1.00 1.00 H new ATOM 0 HB3 MET A 30 2.273 10.879 1.189 1.00 1.00 H new ATOM 0 HG2 MET A 30 3.701 12.813 1.773 1.00 1.00 H new ATOM 0 HG3 MET A 30 2.361 13.573 2.608 1.00 1.00 H new ATOM 0 HE1 MET A 30 4.738 12.673 5.462 1.00 1.00 H new ATOM 0 HE2 MET A 30 5.141 13.163 3.799 1.00 1.00 H new ATOM 0 HE3 MET A 30 3.766 13.917 4.640 1.00 1.00 H new ATOM 452 N ASN A 31 3.286 13.548 -0.884 1.00 1.00 N ATOM 453 CA ASN A 31 4.343 13.694 -1.893 1.00 1.00 C ATOM 454 C ASN A 31 3.726 13.814 -3.294 1.00 1.00 C ATOM 455 O ASN A 31 4.283 13.413 -4.310 1.00 1.00 O ATOM 456 CB ASN A 31 5.429 12.575 -1.724 1.00 1.00 C ATOM 457 CG ASN A 31 6.583 12.589 -2.727 1.00 1.00 C ATOM 458 OD1 ASN A 31 6.753 11.628 -3.479 1.00 1.00 O ATOM 459 ND2 ASN A 31 7.403 13.661 -2.729 1.00 1.00 N ATOM 0 H ASN A 31 3.256 14.320 -0.218 1.00 1.00 H new ATOM 0 HA ASN A 31 4.888 14.626 -1.744 1.00 1.00 H new ATOM 0 HB2 ASN A 31 5.848 12.654 -0.721 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.934 11.606 -1.787 1.00 1.00 H new ATOM 0 HD21 ASN A 31 8.197 13.695 -3.369 1.00 1.00 H new ATOM 0 HD22 ASN A 31 7.229 14.437 -2.091 1.00 1.00 H new ATOM 466 N GLY A 32 2.494 14.360 -3.335 1.00 1.00 N ATOM 467 CA GLY A 32 1.667 14.449 -4.533 1.00 1.00 C ATOM 468 C GLY A 32 1.194 13.133 -5.095 1.00 1.00 C ATOM 469 O GLY A 32 0.707 13.091 -6.218 1.00 1.00 O ATOM 0 H GLY A 32 2.045 14.758 -2.510 1.00 1.00 H new ATOM 0 HA2 GLY A 32 0.795 15.062 -4.306 1.00 1.00 H new ATOM 0 HA3 GLY A 32 2.232 14.972 -5.305 1.00 1.00 H new ATOM 473 N LYS A 33 1.323 12.001 -4.367 1.00 1.00 N ATOM 474 CA LYS A 33 0.994 10.726 -4.941 1.00 1.00 C ATOM 475 C LYS A 33 0.491 9.781 -3.878 1.00 1.00 C ATOM 476 O LYS A 33 0.614 9.998 -2.671 1.00 1.00 O ATOM 477 CB LYS A 33 2.202 10.137 -5.720 1.00 1.00 C ATOM 478 CG LYS A 33 3.464 9.892 -4.874 1.00 1.00 C ATOM 479 CD LYS A 33 4.706 9.582 -5.728 1.00 1.00 C ATOM 480 CE LYS A 33 5.273 10.804 -6.470 1.00 1.00 C ATOM 481 NZ LYS A 33 6.293 10.358 -7.439 1.00 1.00 N ATOM 0 H LYS A 33 1.648 11.968 -3.401 1.00 1.00 H new ATOM 0 HA LYS A 33 0.189 10.867 -5.662 1.00 1.00 H new ATOM 0 HB2 LYS A 33 1.898 9.194 -6.173 1.00 1.00 H new ATOM 0 HB3 LYS A 33 2.455 10.815 -6.535 1.00 1.00 H new ATOM 0 HG2 LYS A 33 3.661 10.772 -4.261 1.00 1.00 H new ATOM 0 HG3 LYS A 33 3.282 9.062 -4.191 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.482 9.167 -5.085 1.00 1.00 H new ATOM 0 HD3 LYS A 33 4.451 8.813 -6.457 1.00 1.00 H new ATOM 0 HE2 LYS A 33 4.472 11.334 -6.986 1.00 1.00 H new ATOM 0 HE3 LYS A 33 5.712 11.504 -5.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.885 11.167 -7.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 6.889 9.626 -7.003 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 5.824 9.967 -8.281 1.00 1.00 H new ATOM 495 N CYS A 34 -0.128 8.686 -4.302 1.00 1.00 N ATOM 496 CA CYS A 34 -0.889 7.831 -3.410 1.00 1.00 C ATOM 497 C CYS A 34 -0.062 7.049 -2.404 1.00 1.00 C ATOM 498 O CYS A 34 1.121 6.790 -2.575 1.00 1.00 O ATOM 499 CB CYS A 34 -1.810 6.862 -4.188 1.00 1.00 C ATOM 500 SG CYS A 34 -3.211 6.231 -3.222 1.00 1.00 S ATOM 0 H CYS A 34 -0.115 8.369 -5.272 1.00 1.00 H new ATOM 0 HA CYS A 34 -1.490 8.532 -2.831 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -2.193 7.373 -5.071 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -1.216 6.018 -4.540 1.00 1.00 H new ATOM 505 N LYS A 35 -0.694 6.708 -1.280 1.00 1.00 N ATOM 506 CA LYS A 35 -0.149 6.092 -0.110 1.00 1.00 C ATOM 507 C LYS A 35 -1.233 5.139 0.326 1.00 1.00 C ATOM 508 O LYS A 35 -2.106 5.458 1.130 1.00 1.00 O ATOM 509 CB LYS A 35 0.129 7.082 1.045 1.00 1.00 C ATOM 510 CG LYS A 35 1.038 8.289 0.750 1.00 1.00 C ATOM 511 CD LYS A 35 2.557 8.017 0.793 1.00 1.00 C ATOM 512 CE LYS A 35 3.262 7.710 -0.525 1.00 1.00 C ATOM 513 NZ LYS A 35 2.913 8.685 -1.580 1.00 1.00 N ATOM 0 H LYS A 35 -1.694 6.880 -1.175 1.00 1.00 H new ATOM 0 HA LYS A 35 0.813 5.633 -0.338 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -0.829 7.462 1.399 1.00 1.00 H new ATOM 0 HB3 LYS A 35 0.573 6.521 1.868 1.00 1.00 H new ATOM 0 HG2 LYS A 35 0.786 8.676 -0.237 1.00 1.00 H new ATOM 0 HG3 LYS A 35 0.809 9.076 1.469 1.00 1.00 H new ATOM 0 HD2 LYS A 35 3.041 8.887 1.237 1.00 1.00 H new ATOM 0 HD3 LYS A 35 2.728 7.178 1.468 1.00 1.00 H new ATOM 0 HE2 LYS A 35 4.341 7.715 -0.369 1.00 1.00 H new ATOM 0 HE3 LYS A 35 2.993 6.707 -0.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 3.758 8.901 -2.147 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 2.177 8.283 -2.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 2.558 9.559 -1.142 1.00 1.00 H new ATOM 527 N CYS A 36 -1.221 3.946 -0.256 1.00 1.00 N ATOM 528 CA CYS A 36 -2.065 2.836 0.070 1.00 1.00 C ATOM 529 C CYS A 36 -1.634 2.126 1.343 1.00 1.00 C ATOM 530 O CYS A 36 -0.483 1.695 1.467 1.00 1.00 O ATOM 531 CB CYS A 36 -2.016 1.836 -1.076 1.00 1.00 C ATOM 532 SG CYS A 36 -3.131 2.240 -2.436 1.00 1.00 S ATOM 0 H CYS A 36 -0.575 3.729 -1.015 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.071 3.224 0.229 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -0.996 1.783 -1.457 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.266 0.846 -0.694 1.00 1.00 H new ATOM 537 N TYR A 37 -2.559 1.939 2.299 1.00 1.00 N ATOM 538 CA TYR A 37 -2.336 1.207 3.515 1.00 1.00 C ATOM 539 C TYR A 37 -2.903 -0.171 3.273 1.00 1.00 C ATOM 540 O TYR A 37 -4.129 -0.293 3.259 1.00 1.00 O ATOM 541 CB TYR A 37 -3.118 1.877 4.669 1.00 1.00 C ATOM 542 CG TYR A 37 -2.583 3.259 4.986 1.00 1.00 C ATOM 543 CD1 TYR A 37 -1.236 3.437 5.350 1.00 1.00 C ATOM 544 CD2 TYR A 37 -3.438 4.373 5.007 1.00 1.00 C ATOM 545 CE1 TYR A 37 -0.753 4.700 5.719 1.00 1.00 C ATOM 546 CE2 TYR A 37 -2.959 5.636 5.391 1.00 1.00 C ATOM 547 CZ TYR A 37 -1.613 5.803 5.742 1.00 1.00 C ATOM 548 OH TYR A 37 -1.110 7.055 6.169 1.00 1.00 O ATOM 0 H TYR A 37 -3.505 2.312 2.226 1.00 1.00 H new ATOM 0 HA TYR A 37 -1.279 1.177 3.781 1.00 1.00 H new ATOM 0 HB2 TYR A 37 -4.172 1.949 4.400 1.00 1.00 H new ATOM 0 HB3 TYR A 37 -3.058 1.251 5.560 1.00 1.00 H new ATOM 0 HD1 TYR A 37 -0.566 2.590 5.345 1.00 1.00 H new ATOM 0 HD2 TYR A 37 -4.474 4.257 4.725 1.00 1.00 H new ATOM 0 HE1 TYR A 37 0.286 4.822 5.986 1.00 1.00 H new ATOM 0 HE2 TYR A 37 -3.631 6.481 5.416 1.00 1.00 H new ATOM 0 HH TYR A 37 -0.156 7.116 5.952 1.00 1.00 H new ATOM 558 N PRO A 38 -2.123 -1.215 3.003 1.00 1.00 N ATOM 559 CA PRO A 38 -2.655 -2.469 2.489 1.00 1.00 C ATOM 560 C PRO A 38 -3.169 -3.368 3.596 1.00 1.00 C ATOM 561 O PRO A 38 -2.623 -4.441 3.834 1.00 1.00 O ATOM 562 CB PRO A 38 -1.423 -3.055 1.779 1.00 1.00 C ATOM 563 CG PRO A 38 -0.250 -2.645 2.678 1.00 1.00 C ATOM 564 CD PRO A 38 -0.677 -1.278 3.223 1.00 1.00 C ATOM 0 HA PRO A 38 -3.521 -2.351 1.838 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -1.494 -4.139 1.684 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -1.314 -2.653 0.772 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -0.089 -3.365 3.481 1.00 1.00 H new ATOM 0 HG3 PRO A 38 0.682 -2.580 2.117 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -0.435 -1.182 4.281 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -0.164 -0.469 2.704 1.00 1.00 H new