USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=6 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 Set 1.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -145:sc= -1.12! (180deg=-3.51!) USER MOD Single : A 4 ASN : amide:sc= -0.794 K(o=-0.79,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.375 USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0662) 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+ 142:sc= -0.0984 (180deg=-0.81) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.366) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.594 8.120 0.171 1.00 0.00 N ATOM 2 CA VAL A 1 -2.377 8.744 0.765 1.00 0.00 C ATOM 3 C VAL A 1 -1.194 7.774 0.689 1.00 0.00 C ATOM 4 O VAL A 1 -1.228 6.796 -0.029 1.00 0.00 O ATOM 5 CB VAL A 1 -2.747 9.029 2.220 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.051 9.825 2.268 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.930 7.706 2.969 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.158 8.849 -0.310 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.311 7.392 -0.515 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.163 7.683 0.924 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.078 9.650 0.237 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.951 9.606 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.315 10.028 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.922 10.767 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.847 9.248 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.194 7.909 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.726 7.129 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.001 7.137 2.935 1.00 0.00 H new ATOM 19 N PHE A 2 -0.149 8.040 1.424 1.00 0.00 N ATOM 20 CA PHE A 2 1.036 7.134 1.390 1.00 0.00 C ATOM 21 C PHE A 2 1.341 6.601 2.791 1.00 0.00 C ATOM 22 O PHE A 2 1.112 7.265 3.783 1.00 0.00 O ATOM 23 CB PHE A 2 2.190 8.008 0.898 1.00 0.00 C ATOM 24 CG PHE A 2 2.042 8.263 -0.582 1.00 0.00 C ATOM 25 CD1 PHE A 2 1.002 9.073 -1.053 1.00 0.00 C ATOM 26 CD2 PHE A 2 2.947 7.691 -1.483 1.00 0.00 C ATOM 27 CE1 PHE A 2 0.868 9.313 -2.425 1.00 0.00 C ATOM 28 CE2 PHE A 2 2.814 7.929 -2.855 1.00 0.00 C ATOM 29 CZ PHE A 2 1.775 8.741 -3.327 1.00 0.00 C ATOM 0 H PHE A 2 -0.064 8.844 2.046 1.00 0.00 H new ATOM 0 HA PHE A 2 0.869 6.269 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.199 8.954 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.142 7.516 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.303 9.513 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.749 7.065 -1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.066 9.939 -2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.512 7.487 -3.550 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.673 8.926 -4.386 1.00 0.00 H new ATOM 39 N ILE A 3 1.867 5.410 2.881 1.00 0.00 N ATOM 40 CA ILE A 3 2.197 4.840 4.219 1.00 0.00 C ATOM 41 C ILE A 3 3.602 4.229 4.194 1.00 0.00 C ATOM 42 O ILE A 3 3.984 3.563 3.251 1.00 0.00 O ATOM 43 CB ILE A 3 1.144 3.761 4.472 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.020 2.867 3.238 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.206 4.422 4.760 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.132 1.665 3.566 1.00 0.00 C ATOM 0 H ILE A 3 2.082 4.807 2.087 1.00 0.00 H new ATOM 0 HA ILE A 3 2.190 5.597 5.003 1.00 0.00 H new ATOM 0 HB ILE A 3 1.444 3.157 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.594 3.431 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.006 2.528 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.957 3.653 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.119 5.058 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.505 5.027 3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.043 1.027 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.576 1.097 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.857 2.014 3.863 1.00 0.00 H new ATOM 58 N ASN A 4 4.372 4.453 5.223 1.00 0.00 N ATOM 59 CA ASN A 4 5.752 3.892 5.261 1.00 0.00 C ATOM 60 C ASN A 4 5.737 2.472 5.832 1.00 0.00 C ATOM 61 O ASN A 4 6.117 2.243 6.963 1.00 0.00 O ATOM 62 CB ASN A 4 6.530 4.829 6.185 1.00 0.00 C ATOM 63 CG ASN A 4 5.809 4.929 7.530 1.00 0.00 C ATOM 64 OD1 ASN A 4 4.827 5.631 7.655 1.00 0.00 O ATOM 65 ND2 ASN A 4 6.259 4.247 8.547 1.00 0.00 N ATOM 0 H ASN A 4 4.105 5.001 6.041 1.00 0.00 H new ATOM 0 HA ASN A 4 6.197 3.828 4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.544 4.456 6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.616 5.816 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.785 4.303 9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.084 3.657 8.441 1.00 0.00 H new ATOM 72 N ALA A 5 5.303 1.517 5.058 1.00 0.00 N ATOM 73 CA ALA A 5 5.268 0.112 5.557 1.00 0.00 C ATOM 74 C ALA A 5 6.287 -0.739 4.796 1.00 0.00 C ATOM 75 O ALA A 5 6.248 -1.953 4.834 1.00 0.00 O ATOM 76 CB ALA A 5 3.845 -0.372 5.278 1.00 0.00 C ATOM 0 H ALA A 5 4.971 1.647 4.102 1.00 0.00 H new ATOM 0 HA ALA A 5 5.520 0.040 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.738 -1.402 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.135 0.261 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.647 -0.321 4.207 1.00 0.00 H new ATOM 82 N LYS A 6 7.199 -0.112 4.103 1.00 0.00 N ATOM 83 CA LYS A 6 8.218 -0.886 3.340 1.00 0.00 C ATOM 84 C LYS A 6 7.537 -1.974 2.508 1.00 0.00 C ATOM 85 O LYS A 6 7.803 -3.149 2.666 1.00 0.00 O ATOM 86 CB LYS A 6 9.120 -1.509 4.404 1.00 0.00 C ATOM 87 CG LYS A 6 10.528 -0.923 4.285 1.00 0.00 C ATOM 88 CD LYS A 6 11.129 -1.308 2.931 1.00 0.00 C ATOM 89 CE LYS A 6 12.171 -2.410 3.130 1.00 0.00 C ATOM 90 NZ LYS A 6 13.420 -1.872 2.522 1.00 0.00 N ATOM 0 H LYS A 6 7.282 0.902 4.033 1.00 0.00 H new ATOM 0 HA LYS A 6 8.780 -0.260 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.716 -1.315 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.153 -2.591 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.491 0.162 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.158 -1.295 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.344 -1.652 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.590 -0.437 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.311 -2.634 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.863 -3.337 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.183 -2.572 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.258 -1.674 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.692 -0.994 3.008 1.00 0.00 H new ATOM 104 N CYS A 7 6.657 -1.591 1.626 1.00 0.00 N ATOM 105 CA CYS A 7 5.955 -2.603 0.785 1.00 0.00 C ATOM 106 C CYS A 7 6.970 -3.457 0.020 1.00 0.00 C ATOM 107 O CYS A 7 8.031 -2.994 -0.351 1.00 0.00 O ATOM 108 CB CYS A 7 5.103 -1.787 -0.188 1.00 0.00 C ATOM 109 SG CYS A 7 6.145 -0.567 -1.023 1.00 0.00 S ATOM 0 H CYS A 7 6.393 -0.622 1.450 1.00 0.00 H new ATOM 0 HA CYS A 7 5.353 -3.287 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.637 -2.446 -0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.297 -1.287 0.349 1.00 0.00 H new ATOM 114 N ARG A 8 6.652 -4.700 -0.220 1.00 0.00 N ATOM 115 CA ARG A 8 7.597 -5.583 -0.965 1.00 0.00 C ATOM 116 C ARG A 8 7.183 -5.675 -2.435 1.00 0.00 C ATOM 117 O ARG A 8 8.005 -5.846 -3.313 1.00 0.00 O ATOM 118 CB ARG A 8 7.482 -6.949 -0.288 1.00 0.00 C ATOM 119 CG ARG A 8 8.653 -7.145 0.678 1.00 0.00 C ATOM 120 CD ARG A 8 9.969 -7.103 -0.101 1.00 0.00 C ATOM 121 NE ARG A 8 10.998 -7.598 0.857 1.00 0.00 N ATOM 122 CZ ARG A 8 11.286 -6.902 1.923 1.00 0.00 C ATOM 123 NH1 ARG A 8 10.484 -6.924 2.952 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.376 -6.185 1.960 1.00 0.00 N ATOM 0 H ARG A 8 5.779 -5.143 0.067 1.00 0.00 H new ATOM 0 HA ARG A 8 8.619 -5.205 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.537 -7.020 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.481 -7.739 -1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.644 -6.366 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.555 -8.099 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.922 -7.732 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.197 -6.092 -0.438 1.00 0.00 H new ATOM 0 HE ARG A 8 11.477 -8.481 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.633 -7.485 2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.709 -6.380 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.003 -6.168 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.601 -5.641 2.793 1.00 0.00 H new ATOM 138 N GLY A 9 5.912 -5.561 -2.711 1.00 0.00 N ATOM 139 CA GLY A 9 5.443 -5.642 -4.125 1.00 0.00 C ATOM 140 C GLY A 9 4.127 -4.876 -4.273 1.00 0.00 C ATOM 141 O GLY A 9 3.339 -4.791 -3.350 1.00 0.00 O ATOM 0 H GLY A 9 5.178 -5.415 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.196 -5.224 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.304 -6.684 -4.414 1.00 0.00 H new ATOM 145 N SER A 10 3.880 -4.319 -5.427 1.00 0.00 N ATOM 146 CA SER A 10 2.613 -3.560 -5.637 1.00 0.00 C ATOM 147 C SER A 10 1.400 -4.406 -5.224 1.00 0.00 C ATOM 148 O SER A 10 0.600 -3.971 -4.419 1.00 0.00 O ATOM 149 CB SER A 10 2.576 -3.250 -7.131 1.00 0.00 C ATOM 150 OG SER A 10 1.260 -3.468 -7.622 1.00 0.00 O ATOM 0 H SER A 10 4.501 -4.356 -6.235 1.00 0.00 H new ATOM 0 HA SER A 10 2.576 -2.653 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.876 -2.217 -7.308 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.285 -3.884 -7.664 1.00 0.00 H new ATOM 0 HG SER A 10 1.231 -3.268 -8.581 1.00 0.00 H new ATOM 156 N PRO A 11 1.291 -5.588 -5.784 1.00 0.00 N ATOM 157 CA PRO A 11 0.152 -6.477 -5.450 1.00 0.00 C ATOM 158 C PRO A 11 0.149 -6.797 -3.954 1.00 0.00 C ATOM 159 O PRO A 11 -0.888 -6.830 -3.320 1.00 0.00 O ATOM 160 CB PRO A 11 0.440 -7.727 -6.288 1.00 0.00 C ATOM 161 CG PRO A 11 1.741 -7.502 -7.081 1.00 0.00 C ATOM 162 CD PRO A 11 2.280 -6.100 -6.763 1.00 0.00 C ATOM 0 HA PRO A 11 -0.825 -6.041 -5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.537 -8.600 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.388 -7.924 -6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.479 -8.259 -6.817 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.553 -7.600 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.285 -6.138 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.331 -5.474 -7.654 1.00 0.00 H new ATOM 170 N GLU A 12 1.300 -7.024 -3.382 1.00 0.00 N ATOM 171 CA GLU A 12 1.358 -7.331 -1.925 1.00 0.00 C ATOM 172 C GLU A 12 0.891 -6.115 -1.122 1.00 0.00 C ATOM 173 O GLU A 12 0.426 -6.233 -0.005 1.00 0.00 O ATOM 174 CB GLU A 12 2.830 -7.631 -1.641 1.00 0.00 C ATOM 175 CG GLU A 12 3.101 -9.121 -1.862 1.00 0.00 C ATOM 176 CD GLU A 12 2.495 -9.927 -0.711 1.00 0.00 C ATOM 177 OE1 GLU A 12 3.144 -10.032 0.317 1.00 0.00 O ATOM 178 OE2 GLU A 12 1.394 -10.425 -0.877 1.00 0.00 O ATOM 0 H GLU A 12 2.201 -7.010 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 12 0.715 -8.167 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.466 -7.034 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.077 -7.354 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.671 -9.443 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.174 -9.301 -1.921 1.00 0.00 H new ATOM 185 N CYS A 13 1.006 -4.946 -1.690 1.00 0.00 N ATOM 186 CA CYS A 13 0.564 -3.720 -0.968 1.00 0.00 C ATOM 187 C CYS A 13 -0.959 -3.719 -0.820 1.00 0.00 C ATOM 188 O CYS A 13 -1.498 -3.204 0.139 1.00 0.00 O ATOM 189 CB CYS A 13 1.018 -2.554 -1.849 1.00 0.00 C ATOM 190 SG CYS A 13 2.175 -1.514 -0.926 1.00 0.00 S ATOM 0 H CYS A 13 1.387 -4.787 -2.623 1.00 0.00 H new ATOM 0 HA CYS A 13 0.983 -3.657 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.494 -2.932 -2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.156 -1.966 -2.165 1.00 0.00 H new ATOM 195 N LEU A 14 -1.657 -4.296 -1.761 1.00 0.00 N ATOM 196 CA LEU A 14 -3.141 -4.327 -1.665 1.00 0.00 C ATOM 197 C LEU A 14 -3.565 -4.882 -0.298 1.00 0.00 C ATOM 198 O LEU A 14 -4.240 -4.206 0.451 1.00 0.00 O ATOM 199 CB LEU A 14 -3.591 -5.244 -2.802 1.00 0.00 C ATOM 200 CG LEU A 14 -4.192 -4.406 -3.931 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.068 -3.846 -4.807 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.108 -5.286 -4.784 1.00 0.00 C ATOM 0 H LEU A 14 -1.264 -4.745 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.590 -3.338 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.744 -5.820 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.327 -5.960 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.766 -3.583 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.497 -3.249 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.412 -3.221 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.494 -4.669 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.538 -4.691 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.531 -6.108 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.909 -5.687 -4.163 1.00 0.00 H new ATOM 214 N PRO A 15 -3.144 -6.092 0.000 1.00 0.00 N ATOM 215 CA PRO A 15 -3.481 -6.708 1.304 1.00 0.00 C ATOM 216 C PRO A 15 -2.958 -5.835 2.447 1.00 0.00 C ATOM 217 O PRO A 15 -3.669 -5.527 3.384 1.00 0.00 O ATOM 218 CB PRO A 15 -2.736 -8.045 1.251 1.00 0.00 C ATOM 219 CG PRO A 15 -1.992 -8.143 -0.093 1.00 0.00 C ATOM 220 CD PRO A 15 -2.323 -6.902 -0.931 1.00 0.00 C ATOM 0 HA PRO A 15 -4.551 -6.823 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.031 -8.118 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.437 -8.873 1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.917 -8.210 0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.289 -9.047 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.423 -6.372 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.872 -7.159 -1.837 1.00 0.00 H new ATOM 228 N LYS A 16 -1.719 -5.430 2.374 1.00 0.00 N ATOM 229 CA LYS A 16 -1.149 -4.573 3.452 1.00 0.00 C ATOM 230 C LYS A 16 -1.938 -3.266 3.554 1.00 0.00 C ATOM 231 O LYS A 16 -2.221 -2.783 4.632 1.00 0.00 O ATOM 232 CB LYS A 16 0.290 -4.296 3.016 1.00 0.00 C ATOM 233 CG LYS A 16 1.221 -5.341 3.633 1.00 0.00 C ATOM 234 CD LYS A 16 2.112 -5.936 2.540 1.00 0.00 C ATOM 235 CE LYS A 16 3.441 -6.385 3.151 1.00 0.00 C ATOM 236 NZ LYS A 16 3.117 -7.622 3.916 1.00 0.00 N ATOM 0 H LYS A 16 -1.077 -5.656 1.614 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.194 -5.051 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.364 -4.325 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.590 -3.296 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.835 -4.884 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.637 -6.128 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.612 -6.782 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.290 -5.197 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.184 -6.582 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.856 -5.616 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.304 -7.464 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.113 -7.860 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.707 -8.407 3.573 1.00 0.00 H new ATOM 250 N CYS A 17 -2.299 -2.691 2.438 1.00 0.00 N ATOM 251 CA CYS A 17 -3.072 -1.418 2.473 1.00 0.00 C ATOM 252 C CYS A 17 -4.343 -1.596 3.306 1.00 0.00 C ATOM 253 O CYS A 17 -4.732 -0.725 4.058 1.00 0.00 O ATOM 254 CB CYS A 17 -3.423 -1.126 1.013 1.00 0.00 C ATOM 255 SG CYS A 17 -4.067 0.559 0.871 1.00 0.00 S ATOM 0 H CYS A 17 -2.092 -3.048 1.505 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.507 -0.603 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.540 -1.243 0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.164 -1.841 0.656 1.00 0.00 H new ATOM 260 N LYS A 18 -4.991 -2.723 3.182 1.00 0.00 N ATOM 261 CA LYS A 18 -6.234 -2.957 3.972 1.00 0.00 C ATOM 262 C LYS A 18 -5.897 -3.053 5.461 1.00 0.00 C ATOM 263 O LYS A 18 -6.565 -2.481 6.298 1.00 0.00 O ATOM 264 CB LYS A 18 -6.786 -4.289 3.461 1.00 0.00 C ATOM 265 CG LYS A 18 -7.927 -4.749 4.369 1.00 0.00 C ATOM 266 CD LYS A 18 -7.625 -6.151 4.902 1.00 0.00 C ATOM 267 CE LYS A 18 -8.316 -6.343 6.254 1.00 0.00 C ATOM 268 NZ LYS A 18 -9.603 -7.022 5.938 1.00 0.00 N ATOM 0 H LYS A 18 -4.714 -3.490 2.569 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.956 -2.148 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.144 -4.178 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.996 -5.040 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.049 -4.052 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.866 -4.754 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.972 -6.903 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.549 -6.287 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.706 -6.947 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.486 -5.387 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.133 -7.187 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.165 -6.421 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.410 -7.932 5.474 1.00 0.00 H new ATOM 282 N GLU A 19 -4.863 -3.774 5.796 1.00 0.00 N ATOM 283 CA GLU A 19 -4.478 -3.908 7.230 1.00 0.00 C ATOM 284 C GLU A 19 -3.994 -2.561 7.773 1.00 0.00 C ATOM 285 O GLU A 19 -3.867 -2.371 8.967 1.00 0.00 O ATOM 286 CB GLU A 19 -3.343 -4.933 7.240 1.00 0.00 C ATOM 287 CG GLU A 19 -2.649 -4.915 8.603 1.00 0.00 C ATOM 288 CD GLU A 19 -3.605 -5.447 9.671 1.00 0.00 C ATOM 289 OE1 GLU A 19 -3.669 -6.654 9.833 1.00 0.00 O ATOM 290 OE2 GLU A 19 -4.259 -4.638 10.309 1.00 0.00 O ATOM 0 H GLU A 19 -4.267 -4.277 5.138 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.313 -4.221 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.736 -5.928 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.626 -4.704 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.747 -5.526 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.339 -3.900 8.851 1.00 0.00 H new ATOM 297 N ALA A 20 -3.721 -1.627 6.904 1.00 0.00 N ATOM 298 CA ALA A 20 -3.244 -0.292 7.368 1.00 0.00 C ATOM 299 C ALA A 20 -4.431 0.653 7.576 1.00 0.00 C ATOM 300 O ALA A 20 -4.721 1.067 8.680 1.00 0.00 O ATOM 301 CB ALA A 20 -2.344 0.218 6.243 1.00 0.00 C ATOM 0 H ALA A 20 -3.807 -1.730 5.893 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.716 -0.350 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.951 1.200 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.517 -0.476 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.921 0.295 5.322 1.00 0.00 H new ATOM 307 N ILE A 21 -5.120 0.997 6.522 1.00 0.00 N ATOM 308 CA ILE A 21 -6.287 1.916 6.665 1.00 0.00 C ATOM 309 C ILE A 21 -7.598 1.140 6.506 1.00 0.00 C ATOM 310 O ILE A 21 -8.629 1.538 7.010 1.00 0.00 O ATOM 311 CB ILE A 21 -6.127 2.947 5.546 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.204 2.250 4.185 1.00 0.00 C ATOM 313 CG2 ILE A 21 -4.772 3.643 5.684 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.079 3.292 3.072 1.00 0.00 C ATOM 0 H ILE A 21 -4.927 0.683 5.571 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.319 2.389 7.647 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.926 3.684 5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.408 1.511 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.148 1.714 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.657 4.378 4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.717 4.144 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.974 2.904 5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.134 2.797 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.891 4.014 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.123 3.808 3.162 1.00 0.00 H new ATOM 326 N GLY A 22 -7.566 0.034 5.813 1.00 0.00 N ATOM 327 CA GLY A 22 -8.813 -0.763 5.631 1.00 0.00 C ATOM 328 C GLY A 22 -9.224 -0.754 4.158 1.00 0.00 C ATOM 329 O GLY A 22 -10.324 -1.131 3.810 1.00 0.00 O ATOM 0 H GLY A 22 -6.734 -0.351 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.653 -1.787 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.613 -0.348 6.244 1.00 0.00 H new ATOM 333 N LYS A 23 -8.350 -0.326 3.290 1.00 0.00 N ATOM 334 CA LYS A 23 -8.696 -0.293 1.839 1.00 0.00 C ATOM 335 C LYS A 23 -7.743 -1.194 1.048 1.00 0.00 C ATOM 336 O LYS A 23 -6.568 -0.912 0.921 1.00 0.00 O ATOM 337 CB LYS A 23 -8.525 1.168 1.424 1.00 0.00 C ATOM 338 CG LYS A 23 -9.531 2.038 2.183 1.00 0.00 C ATOM 339 CD LYS A 23 -10.945 1.751 1.675 1.00 0.00 C ATOM 340 CE LYS A 23 -11.967 2.318 2.664 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.119 1.374 2.610 1.00 0.00 N ATOM 0 H LYS A 23 -7.412 0.002 3.521 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.706 -0.654 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.509 1.500 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.677 1.272 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.470 1.834 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.292 3.092 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.088 2.199 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.091 0.677 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.552 2.377 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.270 3.327 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.862 1.696 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.498 1.343 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.802 0.423 2.888 1.00 0.00 H new ATOM 355 N ALA A 24 -8.242 -2.276 0.516 1.00 0.00 N ATOM 356 CA ALA A 24 -7.367 -3.196 -0.265 1.00 0.00 C ATOM 357 C ALA A 24 -7.023 -2.573 -1.621 1.00 0.00 C ATOM 358 O ALA A 24 -7.264 -3.153 -2.660 1.00 0.00 O ATOM 359 CB ALA A 24 -8.197 -4.465 -0.457 1.00 0.00 C ATOM 0 H ALA A 24 -9.218 -2.563 0.588 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.424 -3.398 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.620 -5.195 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.452 -4.883 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.111 -4.223 -0.999 1.00 0.00 H new ATOM 365 N ALA A 25 -6.464 -1.394 -1.618 1.00 0.00 N ATOM 366 CA ALA A 25 -6.108 -0.736 -2.907 1.00 0.00 C ATOM 367 C ALA A 25 -4.886 0.166 -2.722 1.00 0.00 C ATOM 368 O ALA A 25 -4.961 1.208 -2.101 1.00 0.00 O ATOM 369 CB ALA A 25 -7.336 0.095 -3.278 1.00 0.00 C ATOM 0 H ALA A 25 -6.239 -0.858 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.854 -1.458 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.154 0.613 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.200 -0.561 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.531 0.826 -2.493 1.00 0.00 H new ATOM 375 N GLY A 26 -3.759 -0.223 -3.254 1.00 0.00 N ATOM 376 CA GLY A 26 -2.539 0.617 -3.105 1.00 0.00 C ATOM 377 C GLY A 26 -1.365 -0.042 -3.830 1.00 0.00 C ATOM 378 O GLY A 26 -1.311 -1.247 -3.980 1.00 0.00 O ATOM 0 H GLY A 26 -3.632 -1.085 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.719 1.611 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.301 0.745 -2.049 1.00 0.00 H new ATOM 382 N LYS A 27 -0.423 0.741 -4.282 1.00 0.00 N ATOM 383 CA LYS A 27 0.749 0.162 -4.998 1.00 0.00 C ATOM 384 C LYS A 27 1.999 0.245 -4.117 1.00 0.00 C ATOM 385 O LYS A 27 1.915 0.420 -2.917 1.00 0.00 O ATOM 386 CB LYS A 27 0.916 1.026 -6.248 1.00 0.00 C ATOM 387 CG LYS A 27 0.062 0.455 -7.383 1.00 0.00 C ATOM 388 CD LYS A 27 -1.269 1.206 -7.452 1.00 0.00 C ATOM 389 CE LYS A 27 -1.036 2.615 -8.008 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.730 2.425 -9.457 1.00 0.00 N ATOM 0 H LYS A 27 -0.415 1.756 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 27 0.604 -0.889 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.618 2.053 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.964 1.054 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.592 0.546 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.117 -0.608 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.971 0.665 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.717 1.265 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.917 3.242 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.211 3.109 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.168 3.191 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.300 2.442 -9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.108 1.510 -9.775 1.00 0.00 H new ATOM 404 N CYS A 28 3.157 0.120 -4.704 1.00 0.00 N ATOM 405 CA CYS A 28 4.414 0.191 -3.904 1.00 0.00 C ATOM 406 C CYS A 28 5.508 0.906 -4.704 1.00 0.00 C ATOM 407 O CYS A 28 5.741 0.604 -5.858 1.00 0.00 O ATOM 408 CB CYS A 28 4.800 -1.265 -3.646 1.00 0.00 C ATOM 409 SG CYS A 28 6.435 -1.331 -2.870 1.00 0.00 S ATOM 0 H CYS A 28 3.288 -0.028 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 28 4.285 0.748 -2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.061 -1.739 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.808 -1.821 -4.583 1.00 0.00 H new ATOM 414 N MET A 29 6.179 1.850 -4.103 1.00 0.00 N ATOM 415 CA MET A 29 7.252 2.580 -4.838 1.00 0.00 C ATOM 416 C MET A 29 8.364 3.008 -3.877 1.00 0.00 C ATOM 417 O MET A 29 8.110 3.481 -2.787 1.00 0.00 O ATOM 418 CB MET A 29 6.561 3.805 -5.433 1.00 0.00 C ATOM 419 CG MET A 29 6.657 3.756 -6.959 1.00 0.00 C ATOM 420 SD MET A 29 5.899 5.242 -7.662 1.00 0.00 S ATOM 421 CE MET A 29 4.710 4.401 -8.735 1.00 0.00 C ATOM 0 H MET A 29 6.032 2.147 -3.138 1.00 0.00 H new ATOM 0 HA MET A 29 7.718 1.960 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.516 3.831 -5.125 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.027 4.716 -5.058 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.701 3.688 -7.266 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.155 2.866 -7.337 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.122 5.142 -9.277 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.244 3.771 -9.446 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.047 3.783 -8.129 1.00 0.00 H new ATOM 431 N ASN A 30 9.597 2.849 -4.276 1.00 0.00 N ATOM 432 CA ASN A 30 10.728 3.250 -3.391 1.00 0.00 C ATOM 433 C ASN A 30 10.597 2.584 -2.018 1.00 0.00 C ATOM 434 O ASN A 30 11.207 3.003 -1.055 1.00 0.00 O ATOM 435 CB ASN A 30 10.609 4.770 -3.264 1.00 0.00 C ATOM 436 CG ASN A 30 11.716 5.438 -4.079 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.495 5.858 -5.198 1.00 0.00 O ATOM 438 ND2 ASN A 30 12.909 5.557 -3.563 1.00 0.00 N ATOM 0 H ASN A 30 9.870 2.458 -5.178 1.00 0.00 H new ATOM 0 HA ASN A 30 11.694 2.946 -3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.632 5.100 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.685 5.065 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.654 6.002 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.096 5.205 -2.624 1.00 0.00 H new ATOM 445 N GLY A 31 9.808 1.549 -1.920 1.00 0.00 N ATOM 446 CA GLY A 31 9.645 0.860 -0.608 1.00 0.00 C ATOM 447 C GLY A 31 8.411 1.408 0.114 1.00 0.00 C ATOM 448 O GLY A 31 8.070 0.975 1.195 1.00 0.00 O ATOM 0 H GLY A 31 9.270 1.151 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.541 -0.214 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.533 1.010 0.005 1.00 0.00 H new ATOM 452 N LYS A 32 7.736 2.354 -0.475 1.00 0.00 N ATOM 453 CA LYS A 32 6.525 2.923 0.182 1.00 0.00 C ATOM 454 C LYS A 32 5.261 2.411 -0.515 1.00 0.00 C ATOM 455 O LYS A 32 5.303 1.962 -1.643 1.00 0.00 O ATOM 456 CB LYS A 32 6.656 4.438 0.014 1.00 0.00 C ATOM 457 CG LYS A 32 8.021 4.895 0.537 1.00 0.00 C ATOM 458 CD LYS A 32 8.274 4.289 1.918 1.00 0.00 C ATOM 459 CE LYS A 32 9.371 5.083 2.631 1.00 0.00 C ATOM 460 NZ LYS A 32 9.186 4.778 4.077 1.00 0.00 N ATOM 0 H LYS A 32 7.969 2.758 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 32 6.449 2.637 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.548 4.709 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.858 4.945 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.807 4.590 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.053 5.983 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.357 4.305 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.571 3.245 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.362 4.784 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.275 6.151 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.105 4.827 4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.535 5.472 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.789 3.823 4.182 1.00 0.00 H new ATOM 474 N CYS A 33 4.138 2.469 0.147 1.00 0.00 N ATOM 475 CA CYS A 33 2.880 1.976 -0.485 1.00 0.00 C ATOM 476 C CYS A 33 1.970 3.147 -0.864 1.00 0.00 C ATOM 477 O CYS A 33 1.761 4.061 -0.091 1.00 0.00 O ATOM 478 CB CYS A 33 2.211 1.108 0.582 1.00 0.00 C ATOM 479 SG CYS A 33 1.030 -0.015 -0.205 1.00 0.00 S ATOM 0 H CYS A 33 4.036 2.835 1.094 1.00 0.00 H new ATOM 0 HA CYS A 33 3.078 1.422 -1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.964 0.538 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.700 1.738 1.310 1.00 0.00 H new ATOM 484 N LYS A 34 1.422 3.117 -2.049 1.00 0.00 N ATOM 485 CA LYS A 34 0.516 4.218 -2.483 1.00 0.00 C ATOM 486 C LYS A 34 -0.941 3.789 -2.302 1.00 0.00 C ATOM 487 O LYS A 34 -1.579 3.325 -3.225 1.00 0.00 O ATOM 488 CB LYS A 34 0.833 4.432 -3.963 1.00 0.00 C ATOM 489 CG LYS A 34 1.762 5.637 -4.119 1.00 0.00 C ATOM 490 CD LYS A 34 2.257 5.719 -5.564 1.00 0.00 C ATOM 491 CE LYS A 34 1.372 6.688 -6.352 1.00 0.00 C ATOM 492 NZ LYS A 34 0.574 5.822 -7.264 1.00 0.00 N ATOM 0 H LYS A 34 1.563 2.376 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 34 0.658 5.130 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.304 3.541 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.088 4.595 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.234 6.553 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.609 5.547 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.293 6.056 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.233 4.731 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.727 7.263 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.972 7.405 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.059 6.414 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.215 5.292 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.008 5.155 -6.702 1.00 0.00 H new ATOM 506 N CYS A 35 -1.470 3.933 -1.119 1.00 0.00 N ATOM 507 CA CYS A 35 -2.883 3.522 -0.879 1.00 0.00 C ATOM 508 C CYS A 35 -3.846 4.594 -1.395 1.00 0.00 C ATOM 509 O CYS A 35 -3.634 5.776 -1.210 1.00 0.00 O ATOM 510 CB CYS A 35 -3.001 3.382 0.639 1.00 0.00 C ATOM 511 SG CYS A 35 -2.444 1.733 1.138 1.00 0.00 S ATOM 0 H CYS A 35 -0.986 4.317 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.136 2.597 -1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.400 4.145 1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.034 3.538 0.950 1.00 0.00 H new ATOM 516 N TYR A 36 -4.904 4.188 -2.042 1.00 0.00 N ATOM 517 CA TYR A 36 -5.884 5.178 -2.571 1.00 0.00 C ATOM 518 C TYR A 36 -7.187 5.110 -1.759 1.00 0.00 C ATOM 519 O TYR A 36 -7.841 4.086 -1.738 1.00 0.00 O ATOM 520 CB TYR A 36 -6.132 4.748 -4.017 1.00 0.00 C ATOM 521 CG TYR A 36 -5.218 5.522 -4.934 1.00 0.00 C ATOM 522 CD1 TYR A 36 -3.870 5.160 -5.049 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.717 6.601 -5.672 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.022 5.879 -5.900 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.871 7.319 -6.524 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.523 6.958 -6.637 1.00 0.00 C ATOM 527 OH TYR A 36 -2.687 7.666 -7.477 1.00 0.00 O ATOM 0 H TYR A 36 -5.132 3.211 -2.227 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.519 6.203 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.953 3.678 -4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.173 4.926 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.485 4.326 -4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.757 6.880 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.982 5.601 -5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.257 8.151 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.193 8.382 -7.915 1.00 0.00 H new ATOM 537 N PRO A 37 -7.531 6.198 -1.109 1.00 0.00 N ATOM 538 CA PRO A 37 -8.769 6.235 -0.295 1.00 0.00 C ATOM 539 C PRO A 37 -9.997 5.978 -1.173 1.00 0.00 C ATOM 540 O PRO A 37 -10.803 5.142 -0.799 1.00 0.00 O ATOM 541 CB PRO A 37 -8.771 7.666 0.251 1.00 0.00 C ATOM 542 CG PRO A 37 -7.522 8.399 -0.274 1.00 0.00 C ATOM 543 CD PRO A 37 -6.716 7.434 -1.152 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.109 6.620 -2.204 1.00 0.00 O ATOM 0 HA PRO A 37 -8.802 5.477 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.675 8.188 -0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.771 7.654 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.814 9.278 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.913 8.750 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.603 7.810 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.712 7.271 -0.759 1.00 0.00 H new TER 552 PRO A 37