USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=4 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+ -155:sc= -0.113 (180deg=-0.925) USER MOD Single : A 4 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.66) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 146:sc= -1.39 (180deg=-3.3!) USER MOD Single : A 30 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.032) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.339 9.469 1.342 1.00 0.00 N ATOM 2 CA VAL A 1 -2.171 8.517 2.479 1.00 0.00 C ATOM 3 C VAL A 1 -1.166 7.424 2.108 1.00 0.00 C ATOM 4 O VAL A 1 -1.532 6.370 1.627 1.00 0.00 O ATOM 5 CB VAL A 1 -3.559 7.918 2.697 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.476 6.799 3.738 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.509 9.007 3.197 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.654 10.391 1.705 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.431 9.584 0.848 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.049 9.097 0.679 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.791 9.005 3.377 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.931 7.512 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.467 6.372 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.798 6.023 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.104 7.204 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.500 8.581 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.136 9.412 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.569 9.805 2.457 1.00 0.00 H new ATOM 19 N PHE A 2 0.098 7.664 2.327 1.00 0.00 N ATOM 20 CA PHE A 2 1.122 6.636 1.984 1.00 0.00 C ATOM 21 C PHE A 2 1.920 6.239 3.225 1.00 0.00 C ATOM 22 O PHE A 2 2.202 7.051 4.085 1.00 0.00 O ATOM 23 CB PHE A 2 2.038 7.307 0.960 1.00 0.00 C ATOM 24 CG PHE A 2 1.277 7.588 -0.316 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.135 6.844 -0.642 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.723 8.596 -1.180 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.560 7.110 -1.827 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.028 8.860 -2.366 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.113 8.118 -2.690 1.00 0.00 C ATOM 0 H PHE A 2 0.466 8.527 2.728 1.00 0.00 H new ATOM 0 HA PHE A 2 0.667 5.726 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.433 8.237 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.892 6.664 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.209 6.065 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.603 9.170 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.441 6.538 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.373 9.637 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.649 8.323 -3.605 1.00 0.00 H new ATOM 39 N ILE A 3 2.291 4.993 3.321 1.00 0.00 N ATOM 40 CA ILE A 3 3.077 4.536 4.502 1.00 0.00 C ATOM 41 C ILE A 3 4.515 4.235 4.077 1.00 0.00 C ATOM 42 O ILE A 3 4.807 4.085 2.906 1.00 0.00 O ATOM 43 CB ILE A 3 2.393 3.253 4.997 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.886 3.301 4.710 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.609 3.116 6.505 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.256 1.954 5.075 1.00 0.00 C ATOM 0 H ILE A 3 2.084 4.270 2.632 1.00 0.00 H new ATOM 0 HA ILE A 3 3.111 5.295 5.284 1.00 0.00 H new ATOM 0 HB ILE A 3 2.827 2.401 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.420 4.101 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.712 3.523 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.125 2.206 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.677 3.065 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.179 3.979 7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.814 1.986 4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.715 1.165 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.419 1.751 6.134 1.00 0.00 H new ATOM 58 N ASN A 4 5.415 4.138 5.013 1.00 0.00 N ATOM 59 CA ASN A 4 6.830 3.839 4.656 1.00 0.00 C ATOM 60 C ASN A 4 7.222 2.461 5.195 1.00 0.00 C ATOM 61 O ASN A 4 8.136 2.328 5.984 1.00 0.00 O ATOM 62 CB ASN A 4 7.654 4.938 5.328 1.00 0.00 C ATOM 63 CG ASN A 4 7.314 4.996 6.819 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.956 4.353 7.625 1.00 0.00 O ATOM 65 ND2 ASN A 4 6.323 5.744 7.221 1.00 0.00 N ATOM 0 H ASN A 4 5.233 4.253 6.010 1.00 0.00 H new ATOM 0 HA ASN A 4 6.992 3.819 3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.718 4.742 5.195 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.446 5.900 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.087 5.789 8.212 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.784 6.284 6.544 1.00 0.00 H new ATOM 72 N ALA A 5 6.528 1.437 4.779 1.00 0.00 N ATOM 73 CA ALA A 5 6.848 0.066 5.270 1.00 0.00 C ATOM 74 C ALA A 5 7.850 -0.621 4.336 1.00 0.00 C ATOM 75 O ALA A 5 8.098 -1.806 4.443 1.00 0.00 O ATOM 76 CB ALA A 5 5.508 -0.673 5.253 1.00 0.00 C ATOM 0 H ALA A 5 5.752 1.491 4.119 1.00 0.00 H new ATOM 0 HA ALA A 5 7.303 0.078 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.652 -1.696 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.802 -0.162 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.114 -0.688 4.237 1.00 0.00 H new ATOM 82 N LYS A 6 8.429 0.109 3.421 1.00 0.00 N ATOM 83 CA LYS A 6 9.411 -0.513 2.485 1.00 0.00 C ATOM 84 C LYS A 6 8.782 -1.724 1.791 1.00 0.00 C ATOM 85 O LYS A 6 9.393 -2.767 1.667 1.00 0.00 O ATOM 86 CB LYS A 6 10.579 -0.952 3.367 1.00 0.00 C ATOM 87 CG LYS A 6 10.967 0.191 4.305 1.00 0.00 C ATOM 88 CD LYS A 6 10.420 -0.094 5.703 1.00 0.00 C ATOM 89 CE LYS A 6 11.449 0.333 6.752 1.00 0.00 C ATOM 90 NZ LYS A 6 10.967 -0.254 8.034 1.00 0.00 N ATOM 0 H LYS A 6 8.266 1.106 3.281 1.00 0.00 H new ATOM 0 HA LYS A 6 9.728 0.176 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.301 -1.833 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.431 -1.233 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.051 0.295 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.568 1.134 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.485 0.445 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.197 -1.156 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.444 -0.034 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.517 1.419 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.624 -0.002 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.021 0.119 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.919 -1.289 7.945 1.00 0.00 H new ATOM 104 N CYS A 7 7.564 -1.594 1.342 1.00 0.00 N ATOM 105 CA CYS A 7 6.892 -2.736 0.658 1.00 0.00 C ATOM 106 C CYS A 7 7.850 -3.407 -0.330 1.00 0.00 C ATOM 107 O CYS A 7 8.920 -2.904 -0.612 1.00 0.00 O ATOM 108 CB CYS A 7 5.710 -2.113 -0.086 1.00 0.00 C ATOM 109 SG CYS A 7 6.300 -0.767 -1.140 1.00 0.00 S ATOM 0 H CYS A 7 7.004 -0.745 1.419 1.00 0.00 H new ATOM 0 HA CYS A 7 6.574 -3.505 1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.208 -2.869 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.976 -1.736 0.627 1.00 0.00 H new ATOM 114 N ARG A 8 7.472 -4.540 -0.857 1.00 0.00 N ATOM 115 CA ARG A 8 8.357 -5.246 -1.829 1.00 0.00 C ATOM 116 C ARG A 8 7.607 -5.502 -3.140 1.00 0.00 C ATOM 117 O ARG A 8 8.206 -5.692 -4.180 1.00 0.00 O ATOM 118 CB ARG A 8 8.714 -6.568 -1.150 1.00 0.00 C ATOM 119 CG ARG A 8 9.384 -6.290 0.197 1.00 0.00 C ATOM 120 CD ARG A 8 10.836 -6.774 0.158 1.00 0.00 C ATOM 121 NE ARG A 8 10.823 -8.090 0.856 1.00 0.00 N ATOM 122 CZ ARG A 8 11.910 -8.541 1.417 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.286 -8.077 2.576 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.621 -9.458 0.819 1.00 0.00 N ATOM 0 H ARG A 8 6.588 -5.008 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 8 9.243 -4.663 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.815 -7.167 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.383 -7.147 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.352 -5.223 0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.842 -6.797 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.191 -6.875 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.501 -6.069 0.657 1.00 0.00 H new ATOM 0 HE ARG A 8 9.964 -8.638 0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.730 -7.361 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.136 -8.430 3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.326 -9.822 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.471 -9.811 1.258 1.00 0.00 H new ATOM 138 N GLY A 9 6.302 -5.511 -3.101 1.00 0.00 N ATOM 139 CA GLY A 9 5.521 -5.759 -4.345 1.00 0.00 C ATOM 140 C GLY A 9 4.276 -4.867 -4.361 1.00 0.00 C ATOM 141 O GLY A 9 3.907 -4.282 -3.363 1.00 0.00 O ATOM 0 H GLY A 9 5.744 -5.357 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.138 -5.554 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.229 -6.808 -4.399 1.00 0.00 H new ATOM 145 N SER A 10 3.630 -4.758 -5.489 1.00 0.00 N ATOM 146 CA SER A 10 2.411 -3.903 -5.576 1.00 0.00 C ATOM 147 C SER A 10 1.185 -4.628 -4.996 1.00 0.00 C ATOM 148 O SER A 10 0.472 -4.068 -4.187 1.00 0.00 O ATOM 149 CB SER A 10 2.221 -3.635 -7.067 1.00 0.00 C ATOM 150 OG SER A 10 2.106 -2.235 -7.282 1.00 0.00 O ATOM 0 H SER A 10 3.894 -5.225 -6.357 1.00 0.00 H new ATOM 0 HA SER A 10 2.522 -2.982 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.065 -4.033 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.328 -4.145 -7.429 1.00 0.00 H new ATOM 0 HG SER A 10 1.986 -2.060 -8.239 1.00 0.00 H new ATOM 156 N PRO A 11 0.965 -5.847 -5.430 1.00 0.00 N ATOM 157 CA PRO A 11 -0.199 -6.626 -4.942 1.00 0.00 C ATOM 158 C PRO A 11 -0.080 -6.893 -3.437 1.00 0.00 C ATOM 159 O PRO A 11 -1.067 -7.085 -2.753 1.00 0.00 O ATOM 160 CB PRO A 11 -0.097 -7.926 -5.744 1.00 0.00 C ATOM 161 CG PRO A 11 1.128 -7.839 -6.674 1.00 0.00 C ATOM 162 CD PRO A 11 1.850 -6.511 -6.417 1.00 0.00 C ATOM 0 HA PRO A 11 -1.153 -6.115 -5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.001 -8.778 -5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.004 -8.082 -6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.801 -8.676 -6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.816 -7.903 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.854 -6.665 -6.022 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.953 -5.923 -7.329 1.00 0.00 H new ATOM 170 N GLU A 12 1.115 -6.903 -2.917 1.00 0.00 N ATOM 171 CA GLU A 12 1.288 -7.155 -1.457 1.00 0.00 C ATOM 172 C GLU A 12 0.788 -5.951 -0.654 1.00 0.00 C ATOM 173 O GLU A 12 0.237 -6.092 0.421 1.00 0.00 O ATOM 174 CB GLU A 12 2.792 -7.344 -1.260 1.00 0.00 C ATOM 175 CG GLU A 12 3.103 -8.834 -1.099 1.00 0.00 C ATOM 176 CD GLU A 12 3.891 -9.054 0.193 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.998 -8.549 0.280 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.375 -9.723 1.073 1.00 0.00 O ATOM 0 H GLU A 12 1.979 -6.748 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 12 0.723 -8.023 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.335 -6.939 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.126 -6.795 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.177 -9.409 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.678 -9.191 -1.953 1.00 0.00 H new ATOM 185 N CYS A 13 0.967 -4.768 -1.174 1.00 0.00 N ATOM 186 CA CYS A 13 0.496 -3.558 -0.444 1.00 0.00 C ATOM 187 C CYS A 13 -1.032 -3.570 -0.346 1.00 0.00 C ATOM 188 O CYS A 13 -1.609 -2.989 0.552 1.00 0.00 O ATOM 189 CB CYS A 13 0.972 -2.373 -1.286 1.00 0.00 C ATOM 190 SG CYS A 13 2.222 -1.441 -0.365 1.00 0.00 S ATOM 0 H CYS A 13 1.418 -4.587 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 13 0.882 -3.511 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.389 -2.727 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.130 -1.727 -1.533 1.00 0.00 H new ATOM 195 N LEU A 14 -1.693 -4.227 -1.263 1.00 0.00 N ATOM 196 CA LEU A 14 -3.184 -4.271 -1.213 1.00 0.00 C ATOM 197 C LEU A 14 -3.646 -4.808 0.148 1.00 0.00 C ATOM 198 O LEU A 14 -4.328 -4.114 0.876 1.00 0.00 O ATOM 199 CB LEU A 14 -3.600 -5.200 -2.354 1.00 0.00 C ATOM 200 CG LEU A 14 -4.320 -4.391 -3.435 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.308 -3.925 -4.484 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.380 -5.267 -4.104 1.00 0.00 C ATOM 0 H LEU A 14 -1.268 -4.732 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.636 -3.286 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.723 -5.691 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.254 -5.986 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.798 -3.523 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.821 -3.349 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.551 -3.301 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.830 -4.792 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.894 -4.692 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.901 -6.135 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.101 -5.599 -3.358 1.00 0.00 H new ATOM 214 N PRO A 15 -3.246 -6.018 0.471 1.00 0.00 N ATOM 215 CA PRO A 15 -3.621 -6.608 1.775 1.00 0.00 C ATOM 216 C PRO A 15 -3.118 -5.710 2.906 1.00 0.00 C ATOM 217 O PRO A 15 -3.850 -5.358 3.811 1.00 0.00 O ATOM 218 CB PRO A 15 -2.882 -7.949 1.767 1.00 0.00 C ATOM 219 CG PRO A 15 -2.104 -8.075 0.443 1.00 0.00 C ATOM 220 CD PRO A 15 -2.416 -6.852 -0.430 1.00 0.00 C ATOM 0 HA PRO A 15 -4.695 -6.719 1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.199 -8.009 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.590 -8.771 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.033 -8.136 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.387 -8.991 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.509 -6.334 -0.742 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.953 -7.128 -1.337 1.00 0.00 H new ATOM 228 N LYS A 16 -1.871 -5.323 2.851 1.00 0.00 N ATOM 229 CA LYS A 16 -1.320 -4.434 3.910 1.00 0.00 C ATOM 230 C LYS A 16 -2.145 -3.145 3.974 1.00 0.00 C ATOM 231 O LYS A 16 -2.401 -2.607 5.033 1.00 0.00 O ATOM 232 CB LYS A 16 0.115 -4.136 3.471 1.00 0.00 C ATOM 233 CG LYS A 16 1.072 -5.131 4.130 1.00 0.00 C ATOM 234 CD LYS A 16 2.204 -4.367 4.822 1.00 0.00 C ATOM 235 CE LYS A 16 3.545 -4.755 4.191 1.00 0.00 C ATOM 236 NZ LYS A 16 4.550 -4.636 5.288 1.00 0.00 N ATOM 0 H LYS A 16 -1.212 -5.585 2.118 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.350 -4.888 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.195 -4.203 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.386 -3.117 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.535 -5.743 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.481 -5.809 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.043 -3.293 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.212 -4.595 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.514 -5.770 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.792 -4.096 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.492 -4.888 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.565 -3.658 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.295 -5.280 6.064 1.00 0.00 H new ATOM 250 N CYS A 17 -2.569 -2.654 2.840 1.00 0.00 N ATOM 251 CA CYS A 17 -3.386 -1.408 2.821 1.00 0.00 C ATOM 252 C CYS A 17 -4.774 -1.686 3.398 1.00 0.00 C ATOM 253 O CYS A 17 -5.351 -0.863 4.081 1.00 0.00 O ATOM 254 CB CYS A 17 -3.488 -1.028 1.343 1.00 0.00 C ATOM 255 SG CYS A 17 -4.188 0.634 1.196 1.00 0.00 S ATOM 0 H CYS A 17 -2.384 -3.064 1.925 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.944 -0.610 3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.502 -1.062 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.114 -1.746 0.814 1.00 0.00 H new ATOM 260 N LYS A 18 -5.314 -2.843 3.129 1.00 0.00 N ATOM 261 CA LYS A 18 -6.664 -3.176 3.664 1.00 0.00 C ATOM 262 C LYS A 18 -6.667 -3.049 5.188 1.00 0.00 C ATOM 263 O LYS A 18 -7.578 -2.500 5.772 1.00 0.00 O ATOM 264 CB LYS A 18 -6.909 -4.626 3.242 1.00 0.00 C ATOM 265 CG LYS A 18 -8.250 -5.104 3.800 1.00 0.00 C ATOM 266 CD LYS A 18 -8.121 -6.557 4.262 1.00 0.00 C ATOM 267 CE LYS A 18 -9.379 -7.336 3.866 1.00 0.00 C ATOM 268 NZ LYS A 18 -9.067 -7.918 2.531 1.00 0.00 N ATOM 0 H LYS A 18 -4.879 -3.571 2.562 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.439 -2.508 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.908 -4.704 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.104 -5.263 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.555 -4.472 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.024 -5.021 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.240 -7.015 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.983 -6.595 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.606 -8.116 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.250 -6.682 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.883 -8.467 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.862 -7.152 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.238 -8.541 2.609 1.00 0.00 H new ATOM 282 N GLU A 19 -5.651 -3.551 5.834 1.00 0.00 N ATOM 283 CA GLU A 19 -5.594 -3.455 7.322 1.00 0.00 C ATOM 284 C GLU A 19 -5.086 -2.074 7.743 1.00 0.00 C ATOM 285 O GLU A 19 -5.254 -1.656 8.871 1.00 0.00 O ATOM 286 CB GLU A 19 -4.610 -4.542 7.755 1.00 0.00 C ATOM 287 CG GLU A 19 -5.335 -5.887 7.841 1.00 0.00 C ATOM 288 CD GLU A 19 -5.111 -6.500 9.225 1.00 0.00 C ATOM 289 OE1 GLU A 19 -4.933 -5.744 10.165 1.00 0.00 O ATOM 290 OE2 GLU A 19 -5.123 -7.717 9.321 1.00 0.00 O ATOM 0 H GLU A 19 -4.859 -4.023 5.398 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.574 -3.588 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.787 -4.606 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.176 -4.289 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.401 -5.750 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.965 -6.561 7.069 1.00 0.00 H new ATOM 297 N ALA A 20 -4.462 -1.362 6.844 1.00 0.00 N ATOM 298 CA ALA A 20 -3.939 -0.009 7.194 1.00 0.00 C ATOM 299 C ALA A 20 -5.080 1.013 7.228 1.00 0.00 C ATOM 300 O ALA A 20 -5.273 1.710 8.205 1.00 0.00 O ATOM 301 CB ALA A 20 -2.947 0.330 6.082 1.00 0.00 C ATOM 0 H ALA A 20 -4.292 -1.658 5.883 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.472 0.010 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.516 1.314 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.153 -0.416 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.464 0.334 5.122 1.00 0.00 H new ATOM 307 N ILE A 21 -5.836 1.109 6.168 1.00 0.00 N ATOM 308 CA ILE A 21 -6.960 2.090 6.145 1.00 0.00 C ATOM 309 C ILE A 21 -8.306 1.359 6.127 1.00 0.00 C ATOM 310 O ILE A 21 -9.278 1.819 6.691 1.00 0.00 O ATOM 311 CB ILE A 21 -6.768 2.890 4.856 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.479 1.930 3.698 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.592 3.854 5.020 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.565 2.688 2.372 1.00 0.00 C ATOM 0 H ILE A 21 -5.725 0.553 5.320 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.960 2.732 7.026 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.675 3.456 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.488 1.491 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.195 1.108 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.457 4.423 4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.795 4.538 5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.685 3.288 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.359 2.005 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.565 3.106 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.832 3.495 2.366 1.00 0.00 H new ATOM 326 N GLY A 22 -8.369 0.227 5.481 1.00 0.00 N ATOM 327 CA GLY A 22 -9.654 -0.526 5.429 1.00 0.00 C ATOM 328 C GLY A 22 -10.132 -0.615 3.979 1.00 0.00 C ATOM 329 O GLY A 22 -11.310 -0.737 3.711 1.00 0.00 O ATOM 0 H GLY A 22 -7.589 -0.208 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.519 -1.526 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.405 -0.028 6.041 1.00 0.00 H new ATOM 333 N LYS A 23 -9.226 -0.555 3.043 1.00 0.00 N ATOM 334 CA LYS A 23 -9.629 -0.634 1.609 1.00 0.00 C ATOM 335 C LYS A 23 -8.899 -1.787 0.914 1.00 0.00 C ATOM 336 O LYS A 23 -8.610 -2.804 1.514 1.00 0.00 O ATOM 337 CB LYS A 23 -9.213 0.711 1.008 1.00 0.00 C ATOM 338 CG LYS A 23 -10.391 1.312 0.240 1.00 0.00 C ATOM 339 CD LYS A 23 -10.902 0.300 -0.788 1.00 0.00 C ATOM 340 CE LYS A 23 -12.296 0.715 -1.266 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.227 -0.231 -0.590 1.00 0.00 N ATOM 0 H LYS A 23 -8.224 -0.455 3.208 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.696 -0.821 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.895 1.392 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.361 0.576 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.191 1.579 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.082 2.230 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.217 0.248 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.939 -0.696 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.516 1.748 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.379 0.645 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.205 -0.012 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.997 -1.205 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.129 -0.137 0.441 1.00 0.00 H new ATOM 355 N ALA A 24 -8.601 -1.639 -0.348 1.00 0.00 N ATOM 356 CA ALA A 24 -7.894 -2.728 -1.080 1.00 0.00 C ATOM 357 C ALA A 24 -7.385 -2.215 -2.430 1.00 0.00 C ATOM 358 O ALA A 24 -7.579 -2.839 -3.455 1.00 0.00 O ATOM 359 CB ALA A 24 -8.950 -3.815 -1.280 1.00 0.00 C ATOM 0 H ALA A 24 -8.816 -0.811 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.025 -3.098 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.509 -4.657 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.314 -4.152 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.781 -3.413 -1.860 1.00 0.00 H new ATOM 365 N ALA A 25 -6.734 -1.085 -2.439 1.00 0.00 N ATOM 366 CA ALA A 25 -6.212 -0.533 -3.722 1.00 0.00 C ATOM 367 C ALA A 25 -4.927 0.263 -3.469 1.00 0.00 C ATOM 368 O ALA A 25 -4.899 1.471 -3.600 1.00 0.00 O ATOM 369 CB ALA A 25 -7.320 0.386 -4.237 1.00 0.00 C ATOM 0 H ALA A 25 -6.540 -0.519 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.966 -1.315 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.012 0.833 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.231 -0.193 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.508 1.174 -3.507 1.00 0.00 H new ATOM 375 N GLY A 26 -3.866 -0.404 -3.106 1.00 0.00 N ATOM 376 CA GLY A 26 -2.587 0.316 -2.844 1.00 0.00 C ATOM 377 C GLY A 26 -1.469 -0.303 -3.684 1.00 0.00 C ATOM 378 O GLY A 26 -1.583 -1.412 -4.167 1.00 0.00 O ATOM 0 H GLY A 26 -3.829 -1.415 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.696 1.373 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.335 0.257 -1.785 1.00 0.00 H new ATOM 382 N LYS A 27 -0.387 0.405 -3.863 1.00 0.00 N ATOM 383 CA LYS A 27 0.737 -0.144 -4.674 1.00 0.00 C ATOM 384 C LYS A 27 2.051 -0.055 -3.892 1.00 0.00 C ATOM 385 O LYS A 27 2.059 0.152 -2.694 1.00 0.00 O ATOM 386 CB LYS A 27 0.794 0.742 -5.919 1.00 0.00 C ATOM 387 CG LYS A 27 -0.505 0.586 -6.713 1.00 0.00 C ATOM 388 CD LYS A 27 -1.360 1.844 -6.542 1.00 0.00 C ATOM 389 CE LYS A 27 -1.822 2.338 -7.915 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.881 3.821 -7.788 1.00 0.00 N ATOM 0 H LYS A 27 -0.233 1.339 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 27 0.590 -1.194 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.935 1.784 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.647 0.464 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.282 0.425 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.053 -0.290 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.223 1.627 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.785 2.621 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.127 2.036 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.796 1.925 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.191 4.235 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.555 4.079 -7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.938 4.186 -7.545 1.00 0.00 H new ATOM 404 N CYS A 28 3.161 -0.211 -4.559 1.00 0.00 N ATOM 405 CA CYS A 28 4.473 -0.135 -3.856 1.00 0.00 C ATOM 406 C CYS A 28 5.475 0.661 -4.699 1.00 0.00 C ATOM 407 O CYS A 28 5.866 0.246 -5.772 1.00 0.00 O ATOM 408 CB CYS A 28 4.928 -1.588 -3.710 1.00 0.00 C ATOM 409 SG CYS A 28 6.568 -1.632 -2.947 1.00 0.00 S ATOM 0 H CYS A 28 3.216 -0.388 -5.562 1.00 0.00 H new ATOM 0 HA CYS A 28 4.399 0.367 -2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.216 -2.144 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.956 -2.071 -4.687 1.00 0.00 H new ATOM 414 N MET A 29 5.891 1.802 -4.220 1.00 0.00 N ATOM 415 CA MET A 29 6.865 2.627 -4.993 1.00 0.00 C ATOM 416 C MET A 29 7.790 3.381 -4.035 1.00 0.00 C ATOM 417 O MET A 29 7.387 3.794 -2.965 1.00 0.00 O ATOM 418 CB MET A 29 6.005 3.607 -5.792 1.00 0.00 C ATOM 419 CG MET A 29 5.659 2.994 -7.149 1.00 0.00 C ATOM 420 SD MET A 29 6.880 3.518 -8.378 1.00 0.00 S ATOM 421 CE MET A 29 8.085 2.202 -8.076 1.00 0.00 C ATOM 0 H MET A 29 5.599 2.199 -3.327 1.00 0.00 H new ATOM 0 HA MET A 29 7.501 2.022 -5.640 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.093 3.838 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.540 4.546 -5.931 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.645 1.907 -7.076 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.661 3.306 -7.457 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.577 1.937 -9.012 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.830 2.548 -7.360 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.575 1.327 -7.674 1.00 0.00 H new ATOM 431 N ASN A 30 9.026 3.566 -4.407 1.00 0.00 N ATOM 432 CA ASN A 30 9.971 4.292 -3.512 1.00 0.00 C ATOM 433 C ASN A 30 10.053 3.592 -2.154 1.00 0.00 C ATOM 434 O ASN A 30 10.223 4.222 -1.129 1.00 0.00 O ATOM 435 CB ASN A 30 9.371 5.691 -3.357 1.00 0.00 C ATOM 436 CG ASN A 30 10.496 6.712 -3.177 1.00 0.00 C ATOM 437 OD1 ASN A 30 10.315 7.884 -3.437 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.659 6.312 -2.738 1.00 0.00 N ATOM 0 H ASN A 30 9.423 3.247 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 30 10.983 4.324 -3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.775 5.942 -4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.701 5.718 -2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.416 6.984 -2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.811 5.327 -2.520 1.00 0.00 H new ATOM 445 N GLY A 31 9.932 2.293 -2.140 1.00 0.00 N ATOM 446 CA GLY A 31 10.000 1.553 -0.849 1.00 0.00 C ATOM 447 C GLY A 31 8.874 2.031 0.068 1.00 0.00 C ATOM 448 O GLY A 31 9.031 2.112 1.271 1.00 0.00 O ATOM 0 H GLY A 31 9.789 1.713 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.910 0.481 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.967 1.717 -0.373 1.00 0.00 H new ATOM 452 N LYS A 32 7.739 2.350 -0.489 1.00 0.00 N ATOM 453 CA LYS A 32 6.604 2.825 0.354 1.00 0.00 C ATOM 454 C LYS A 32 5.281 2.272 -0.184 1.00 0.00 C ATOM 455 O LYS A 32 5.179 1.883 -1.330 1.00 0.00 O ATOM 456 CB LYS A 32 6.633 4.349 0.237 1.00 0.00 C ATOM 457 CG LYS A 32 7.872 4.894 0.952 1.00 0.00 C ATOM 458 CD LYS A 32 8.158 6.316 0.465 1.00 0.00 C ATOM 459 CE LYS A 32 8.295 7.250 1.670 1.00 0.00 C ATOM 460 NZ LYS A 32 9.471 8.109 1.357 1.00 0.00 N ATOM 0 H LYS A 32 7.547 2.303 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 32 6.691 2.494 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.647 4.643 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.731 4.775 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.713 4.893 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.730 4.251 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.073 6.332 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.352 6.658 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.395 7.848 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.451 6.687 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.630 8.778 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.314 7.512 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.291 8.637 0.480 1.00 0.00 H new ATOM 474 N CYS A 33 4.267 2.234 0.636 1.00 0.00 N ATOM 475 CA CYS A 33 2.954 1.706 0.167 1.00 0.00 C ATOM 476 C CYS A 33 2.062 2.857 -0.307 1.00 0.00 C ATOM 477 O CYS A 33 1.780 3.780 0.431 1.00 0.00 O ATOM 478 CB CYS A 33 2.345 1.018 1.389 1.00 0.00 C ATOM 479 SG CYS A 33 1.150 -0.231 0.847 1.00 0.00 S ATOM 0 H CYS A 33 4.290 2.544 1.607 1.00 0.00 H new ATOM 0 HA CYS A 33 3.059 1.020 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.129 0.552 1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.854 1.753 2.027 1.00 0.00 H new ATOM 484 N LYS A 34 1.621 2.809 -1.533 1.00 0.00 N ATOM 485 CA LYS A 34 0.748 3.901 -2.055 1.00 0.00 C ATOM 486 C LYS A 34 -0.720 3.471 -2.006 1.00 0.00 C ATOM 487 O LYS A 34 -1.219 2.833 -2.911 1.00 0.00 O ATOM 488 CB LYS A 34 1.199 4.109 -3.501 1.00 0.00 C ATOM 489 CG LYS A 34 2.621 4.674 -3.519 1.00 0.00 C ATOM 490 CD LYS A 34 2.638 5.990 -4.300 1.00 0.00 C ATOM 491 CE LYS A 34 3.056 5.722 -5.747 1.00 0.00 C ATOM 492 NZ LYS A 34 2.446 6.829 -6.534 1.00 0.00 N ATOM 0 H LYS A 34 1.826 2.062 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 34 0.831 4.815 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.166 3.164 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.519 4.792 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.971 4.839 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.302 3.958 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.651 6.452 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.330 6.692 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.141 5.716 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.698 4.751 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.688 6.715 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.412 6.806 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.811 7.741 -6.191 1.00 0.00 H new ATOM 506 N CYS A 35 -1.413 3.810 -0.953 1.00 0.00 N ATOM 507 CA CYS A 35 -2.848 3.412 -0.845 1.00 0.00 C ATOM 508 C CYS A 35 -3.744 4.419 -1.572 1.00 0.00 C ATOM 509 O CYS A 35 -3.460 5.601 -1.619 1.00 0.00 O ATOM 510 CB CYS A 35 -3.145 3.418 0.654 1.00 0.00 C ATOM 511 SG CYS A 35 -2.593 1.857 1.383 1.00 0.00 S ATOM 0 H CYS A 35 -1.050 4.344 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.038 2.440 -1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.637 4.255 1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.213 3.554 0.824 1.00 0.00 H new ATOM 516 N TYR A 36 -4.826 3.958 -2.135 1.00 0.00 N ATOM 517 CA TYR A 36 -5.753 4.878 -2.856 1.00 0.00 C ATOM 518 C TYR A 36 -7.208 4.548 -2.502 1.00 0.00 C ATOM 519 O TYR A 36 -7.826 3.722 -3.144 1.00 0.00 O ATOM 520 CB TYR A 36 -5.492 4.626 -4.341 1.00 0.00 C ATOM 521 CG TYR A 36 -4.607 5.717 -4.894 1.00 0.00 C ATOM 522 CD1 TYR A 36 -3.257 5.779 -4.530 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.138 6.669 -5.773 1.00 0.00 C ATOM 524 CE1 TYR A 36 -2.438 6.793 -5.045 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.321 7.682 -6.288 1.00 0.00 C ATOM 526 CZ TYR A 36 -2.971 7.744 -5.924 1.00 0.00 C ATOM 527 OH TYR A 36 -2.166 8.743 -6.431 1.00 0.00 O ATOM 0 H TYR A 36 -5.110 2.978 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.589 5.921 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.016 3.655 -4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.435 4.598 -4.886 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.846 5.045 -3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.180 6.621 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.396 6.841 -4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.732 8.415 -6.966 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.692 9.317 -7.026 1.00 0.00 H new ATOM 537 N PRO A 37 -7.711 5.203 -1.486 1.00 0.00 N ATOM 538 CA PRO A 37 -9.107 4.974 -1.045 1.00 0.00 C ATOM 539 C PRO A 37 -10.090 5.319 -2.167 1.00 0.00 C ATOM 540 O PRO A 37 -11.253 5.534 -1.865 1.00 0.00 O ATOM 541 CB PRO A 37 -9.252 5.941 0.134 1.00 0.00 C ATOM 542 CG PRO A 37 -7.919 6.692 0.326 1.00 0.00 C ATOM 543 CD PRO A 37 -6.920 6.203 -0.730 1.00 0.00 C ATOM 544 OXT PRO A 37 -9.663 5.364 -3.309 1.00 0.00 O ATOM 0 HA PRO A 37 -9.317 3.938 -0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.060 6.648 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.512 5.395 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.074 7.767 0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.527 6.515 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.577 7.016 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.034 5.759 -0.275 1.00 0.00 H new TER 552 PRO A 37