USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 270 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 14 SER OG : rot 62:sc= 0.385 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -117:sc= -0.0457 (180deg=-0.855) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= -0.128 USER MOD Set 2.2: A 12 GLN : amide:sc= -0.502 K(o=-0.63,f=-3.2!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.029) USER MOD Single : A 8 THR OG1 : rot -43:sc= 0.102 USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0603) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00707 X(o=-0.0071,f=-0.0082) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0.00967 (180deg=-0.806) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.117 USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 2 -7.290 -0.479 4.387 1.00 0.00 N ATOM 18 CA ILE A 2 -6.712 0.804 4.055 1.00 0.00 C ATOM 19 C ILE A 2 -5.799 1.117 5.224 1.00 0.00 C ATOM 20 O ILE A 2 -6.248 1.178 6.368 1.00 0.00 O ATOM 21 CB ILE A 2 -7.795 1.874 3.850 1.00 0.00 C ATOM 22 CG1 ILE A 2 -8.775 1.417 2.728 1.00 0.00 C ATOM 23 CG2 ILE A 2 -7.141 3.248 3.561 1.00 0.00 C ATOM 24 CD1 ILE A 2 -9.862 2.434 2.368 1.00 0.00 C ATOM 0 HA ILE A 2 -6.166 0.787 3.112 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.382 1.995 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.198 1.191 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.255 0.489 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.919 3.998 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.511 3.535 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.533 3.179 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.494 2.027 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.470 2.644 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.397 3.356 2.020 1.00 0.00 H new ATOM 36 N ILE A 3 -4.479 1.329 4.940 1.00 0.00 N ATOM 37 CA ILE A 3 -3.446 1.673 5.911 1.00 0.00 C ATOM 38 C ILE A 3 -3.125 3.157 5.794 1.00 0.00 C ATOM 39 O ILE A 3 -3.832 3.896 5.108 1.00 0.00 O ATOM 40 CB ILE A 3 -2.225 0.760 5.861 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.408 0.845 4.555 1.00 0.00 C ATOM 42 CG2 ILE A 3 -2.707 -0.686 6.139 1.00 0.00 C ATOM 43 CD1 ILE A 3 -0.054 0.164 4.733 1.00 0.00 C ATOM 0 H ILE A 3 -4.114 1.258 3.990 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.837 1.492 6.912 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.524 1.097 6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.958 0.370 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.264 1.889 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.855 -1.365 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.174 -0.731 7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.432 -0.980 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.512 0.231 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.499 0.658 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.205 -0.884 4.991 1.00 0.00 H new ATOM 55 N ASN A 4 -2.052 3.633 6.482 1.00 0.00 N ATOM 56 CA ASN A 4 -1.674 5.034 6.543 1.00 0.00 C ATOM 57 C ASN A 4 -0.179 5.139 6.333 1.00 0.00 C ATOM 58 O ASN A 4 0.595 5.332 7.269 1.00 0.00 O ATOM 59 CB ASN A 4 -2.174 5.769 7.835 1.00 0.00 C ATOM 60 CG ASN A 4 -1.876 5.033 9.160 1.00 0.00 C ATOM 61 OD1 ASN A 4 -2.462 3.982 9.449 1.00 0.00 O ATOM 62 ND2 ASN A 4 -0.960 5.626 9.984 1.00 0.00 N ATOM 0 H ASN A 4 -1.427 3.026 7.013 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.184 5.566 5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.715 6.757 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.250 5.921 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.733 5.201 10.883 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.504 6.493 9.699 1.00 0.00 H new ATOM 69 N VAL A 5 0.247 5.034 5.045 1.00 0.00 N ATOM 70 CA VAL A 5 1.599 5.269 4.566 1.00 0.00 C ATOM 71 C VAL A 5 1.407 6.224 3.425 1.00 0.00 C ATOM 72 O VAL A 5 0.630 5.963 2.516 1.00 0.00 O ATOM 73 CB VAL A 5 2.334 3.984 4.148 1.00 0.00 C ATOM 74 CG1 VAL A 5 3.565 4.234 3.236 1.00 0.00 C ATOM 75 CG2 VAL A 5 2.745 3.234 5.436 1.00 0.00 C ATOM 0 H VAL A 5 -0.388 4.770 4.292 1.00 0.00 H new ATOM 0 HA VAL A 5 2.244 5.670 5.348 1.00 0.00 H new ATOM 0 HB VAL A 5 1.654 3.385 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.030 3.281 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.245 4.735 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.285 4.862 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.270 2.316 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.401 3.868 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.854 2.989 6.014 1.00 0.00 H new ATOM 85 N LYS A 6 2.139 7.374 3.448 1.00 0.00 N ATOM 86 CA LYS A 6 2.012 8.479 2.508 1.00 0.00 C ATOM 87 C LYS A 6 2.828 8.197 1.250 1.00 0.00 C ATOM 88 O LYS A 6 3.972 7.751 1.342 1.00 0.00 O ATOM 89 CB LYS A 6 2.473 9.825 3.130 1.00 0.00 C ATOM 90 CG LYS A 6 1.834 10.141 4.498 1.00 0.00 C ATOM 91 CD LYS A 6 0.299 10.226 4.477 1.00 0.00 C ATOM 92 CE LYS A 6 -0.333 10.555 5.836 1.00 0.00 C ATOM 93 NZ LYS A 6 0.060 11.904 6.304 1.00 0.00 N ATOM 0 H LYS A 6 2.854 7.543 4.155 1.00 0.00 H new ATOM 0 HA LYS A 6 0.956 8.567 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.557 9.808 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.238 10.632 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.134 9.373 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.233 11.088 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.001 10.986 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.101 9.276 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.419 10.498 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.027 9.810 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.462 12.136 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.081 11.920 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.163 12.605 5.569 1.00 0.00 H new ATOM 107 N CYS A 7 2.225 8.413 0.052 1.00 0.00 N ATOM 108 CA CYS A 7 2.737 7.917 -1.209 1.00 0.00 C ATOM 109 C CYS A 7 2.502 8.966 -2.270 1.00 0.00 C ATOM 110 O CYS A 7 1.806 9.955 -2.042 1.00 0.00 O ATOM 111 CB CYS A 7 2.107 6.528 -1.564 1.00 0.00 C ATOM 112 SG CYS A 7 0.292 6.483 -1.809 1.00 0.00 S ATOM 0 H CYS A 7 1.360 8.945 -0.044 1.00 0.00 H new ATOM 0 HA CYS A 7 3.810 7.740 -1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.582 6.162 -2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.360 5.827 -0.769 1.00 0.00 H new ATOM 117 N THR A 8 3.075 8.742 -3.479 1.00 0.00 N ATOM 118 CA THR A 8 2.801 9.489 -4.691 1.00 0.00 C ATOM 119 C THR A 8 3.098 8.525 -5.835 1.00 0.00 C ATOM 120 O THR A 8 3.441 8.932 -6.944 1.00 0.00 O ATOM 121 CB THR A 8 3.551 10.837 -4.756 1.00 0.00 C ATOM 122 OG1 THR A 8 3.134 11.655 -5.848 1.00 0.00 O ATOM 123 CG2 THR A 8 5.091 10.675 -4.754 1.00 0.00 C ATOM 0 H THR A 8 3.764 8.004 -3.621 1.00 0.00 H new ATOM 0 HA THR A 8 1.763 9.816 -4.743 1.00 0.00 H new ATOM 0 HB THR A 8 3.275 11.352 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.047 11.105 -6.654 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.560 11.658 -4.801 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.402 10.168 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.396 10.085 -5.619 1.00 0.00 H new ATOM 131 N SER A 9 2.955 7.200 -5.562 1.00 0.00 N ATOM 132 CA SER A 9 3.249 6.112 -6.466 1.00 0.00 C ATOM 133 C SER A 9 2.703 4.865 -5.786 1.00 0.00 C ATOM 134 O SER A 9 2.748 4.818 -4.558 1.00 0.00 O ATOM 135 CB SER A 9 4.776 5.949 -6.788 1.00 0.00 C ATOM 136 OG SER A 9 5.613 5.715 -5.662 1.00 0.00 O ATOM 0 H SER A 9 2.615 6.872 -4.658 1.00 0.00 H new ATOM 0 HA SER A 9 2.790 6.302 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.897 5.122 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.121 6.849 -7.296 1.00 0.00 H new ATOM 0 HG SER A 9 6.543 5.625 -5.959 1.00 0.00 H new ATOM 142 N PRO A 10 2.229 3.800 -6.479 1.00 0.00 N ATOM 143 CA PRO A 10 1.916 2.495 -5.878 1.00 0.00 C ATOM 144 C PRO A 10 3.139 1.676 -5.443 1.00 0.00 C ATOM 145 O PRO A 10 2.955 0.730 -4.682 1.00 0.00 O ATOM 146 CB PRO A 10 1.108 1.751 -6.955 1.00 0.00 C ATOM 147 CG PRO A 10 0.500 2.871 -7.802 1.00 0.00 C ATOM 148 CD PRO A 10 1.604 3.932 -7.792 1.00 0.00 C ATOM 0 HA PRO A 10 1.369 2.641 -4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.745 1.100 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.336 1.122 -6.511 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.269 2.535 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.428 3.247 -7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.324 3.763 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.195 4.932 -7.938 1.00 0.00 H new ATOM 156 N LYS A 11 4.379 2.045 -5.892 1.00 0.00 N ATOM 157 CA LYS A 11 5.660 1.508 -5.452 1.00 0.00 C ATOM 158 C LYS A 11 6.239 2.233 -4.234 1.00 0.00 C ATOM 159 O LYS A 11 7.377 1.975 -3.847 1.00 0.00 O ATOM 160 CB LYS A 11 6.697 1.513 -6.608 1.00 0.00 C ATOM 161 CG LYS A 11 6.211 0.773 -7.871 1.00 0.00 C ATOM 162 CD LYS A 11 5.912 -0.721 -7.649 1.00 0.00 C ATOM 163 CE LYS A 11 5.429 -1.448 -8.912 1.00 0.00 C ATOM 164 NZ LYS A 11 4.132 -0.907 -9.383 1.00 0.00 N ATOM 0 H LYS A 11 4.492 2.764 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 11 5.457 0.481 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.934 2.544 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.621 1.052 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.310 1.262 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.968 0.869 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.813 -1.212 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.154 -0.819 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.175 -1.347 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.327 -2.513 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.774 -1.493 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.447 -0.917 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.263 0.070 -9.715 1.00 0.00 H new ATOM 178 N GLN A 12 5.442 3.136 -3.582 1.00 0.00 N ATOM 179 CA GLN A 12 5.692 3.758 -2.292 1.00 0.00 C ATOM 180 C GLN A 12 4.642 3.239 -1.319 1.00 0.00 C ATOM 181 O GLN A 12 4.367 3.824 -0.272 1.00 0.00 O ATOM 182 CB GLN A 12 5.670 5.298 -2.434 1.00 0.00 C ATOM 183 CG GLN A 12 6.187 6.102 -1.224 1.00 0.00 C ATOM 184 CD GLN A 12 6.408 7.571 -1.615 1.00 0.00 C ATOM 185 OE1 GLN A 12 6.297 7.949 -2.787 1.00 0.00 O ATOM 186 NE2 GLN A 12 6.729 8.412 -0.585 1.00 0.00 N ATOM 0 H GLN A 12 4.561 3.451 -3.989 1.00 0.00 H new ATOM 0 HA GLN A 12 6.680 3.502 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.266 5.570 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.645 5.608 -2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.470 6.040 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.121 5.670 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.808 8.048 0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.889 9.403 -0.767 1.00 0.00 H new ATOM 195 N CYS A 13 4.024 2.087 -1.681 1.00 0.00 N ATOM 196 CA CYS A 13 2.932 1.448 -0.988 1.00 0.00 C ATOM 197 C CYS A 13 3.119 -0.064 -1.054 1.00 0.00 C ATOM 198 O CYS A 13 2.514 -0.772 -0.258 1.00 0.00 O ATOM 199 CB CYS A 13 1.564 1.892 -1.607 1.00 0.00 C ATOM 200 SG CYS A 13 0.039 1.201 -0.890 1.00 0.00 S ATOM 0 H CYS A 13 4.307 1.569 -2.513 1.00 0.00 H new ATOM 0 HA CYS A 13 2.925 1.750 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.503 2.978 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.579 1.639 -2.667 1.00 0.00 H new ATOM 205 N SER A 14 3.987 -0.627 -1.952 1.00 0.00 N ATOM 206 CA SER A 14 4.335 -2.044 -2.049 1.00 0.00 C ATOM 207 C SER A 14 5.435 -2.421 -1.071 1.00 0.00 C ATOM 208 O SER A 14 5.827 -3.578 -0.985 1.00 0.00 O ATOM 209 CB SER A 14 4.817 -2.412 -3.480 1.00 0.00 C ATOM 210 OG SER A 14 3.792 -2.177 -4.434 1.00 0.00 O ATOM 0 H SER A 14 4.473 -0.063 -2.649 1.00 0.00 H new ATOM 0 HA SER A 14 3.427 -2.596 -1.809 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.698 -1.823 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.114 -3.460 -3.510 1.00 0.00 H new ATOM 0 HG SER A 14 3.566 -1.223 -4.443 1.00 0.00 H new ATOM 216 N LYS A 15 5.933 -1.431 -0.286 1.00 0.00 N ATOM 217 CA LYS A 15 6.878 -1.521 0.804 1.00 0.00 C ATOM 218 C LYS A 15 6.171 -1.911 2.111 1.00 0.00 C ATOM 219 O LYS A 15 6.540 -2.955 2.655 1.00 0.00 O ATOM 220 CB LYS A 15 7.673 -0.190 0.912 1.00 0.00 C ATOM 221 CG LYS A 15 8.972 -0.149 0.086 1.00 0.00 C ATOM 222 CD LYS A 15 8.761 -0.172 -1.437 1.00 0.00 C ATOM 223 CE LYS A 15 10.044 0.056 -2.249 1.00 0.00 C ATOM 224 NZ LYS A 15 11.027 -1.028 -2.022 1.00 0.00 N ATOM 0 H LYS A 15 5.640 -0.465 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 15 7.598 -2.315 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.029 0.629 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.918 -0.013 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.527 0.752 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.593 -1.000 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.331 -1.133 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.033 0.594 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.800 0.112 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.486 1.013 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.882 -0.844 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.277 -1.064 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.613 -1.938 -2.309 1.00 0.00 H new ATOM 238 N PRO A 16 5.142 -1.202 2.665 1.00 0.00 N ATOM 239 CA PRO A 16 4.381 -1.615 3.845 1.00 0.00 C ATOM 240 C PRO A 16 3.475 -2.825 3.601 1.00 0.00 C ATOM 241 O PRO A 16 3.431 -3.671 4.480 1.00 0.00 O ATOM 242 CB PRO A 16 3.585 -0.369 4.247 1.00 0.00 C ATOM 243 CG PRO A 16 3.415 0.381 2.944 1.00 0.00 C ATOM 244 CD PRO A 16 4.755 0.151 2.270 1.00 0.00 C ATOM 0 HA PRO A 16 5.047 -1.959 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.623 -0.632 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.120 0.227 4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.588 -0.012 2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.216 1.440 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.674 0.239 1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.493 0.885 2.595 1.00 0.00 H new ATOM 252 N CYS A 17 2.781 -2.940 2.430 1.00 0.00 N ATOM 253 CA CYS A 17 1.862 -3.996 2.039 1.00 0.00 C ATOM 254 C CYS A 17 2.519 -5.345 1.760 1.00 0.00 C ATOM 255 O CYS A 17 1.888 -6.370 1.977 1.00 0.00 O ATOM 256 CB CYS A 17 1.017 -3.654 0.778 1.00 0.00 C ATOM 257 SG CYS A 17 0.056 -2.125 0.895 1.00 0.00 S ATOM 0 H CYS A 17 2.872 -2.235 1.698 1.00 0.00 H new ATOM 0 HA CYS A 17 1.228 -4.072 2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.685 -3.581 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.334 -4.481 0.581 1.00 0.00 H new ATOM 262 N LYS A 18 3.792 -5.387 1.255 1.00 0.00 N ATOM 263 CA LYS A 18 4.593 -6.607 1.105 1.00 0.00 C ATOM 264 C LYS A 18 5.402 -6.955 2.342 1.00 0.00 C ATOM 265 O LYS A 18 6.010 -8.020 2.419 1.00 0.00 O ATOM 266 CB LYS A 18 5.470 -6.595 -0.164 1.00 0.00 C ATOM 267 CG LYS A 18 4.563 -6.561 -1.401 1.00 0.00 C ATOM 268 CD LYS A 18 5.305 -6.662 -2.740 1.00 0.00 C ATOM 269 CE LYS A 18 4.364 -6.854 -3.941 1.00 0.00 C ATOM 270 NZ LYS A 18 3.415 -5.725 -4.081 1.00 0.00 N ATOM 0 H LYS A 18 4.282 -4.549 0.941 1.00 0.00 H new ATOM 0 HA LYS A 18 3.864 -7.408 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.129 -5.727 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.107 -7.479 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.848 -7.381 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.988 -5.635 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.895 -5.758 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.005 -7.496 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.953 -6.949 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.808 -7.784 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.442 -6.072 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.621 -5.007 -3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.515 -5.303 -5.026 1.00 0.00 H new ATOM 284 N GLU A 19 5.371 -6.063 3.368 1.00 0.00 N ATOM 285 CA GLU A 19 5.804 -6.318 4.742 1.00 0.00 C ATOM 286 C GLU A 19 4.660 -6.914 5.567 1.00 0.00 C ATOM 287 O GLU A 19 4.892 -7.632 6.539 1.00 0.00 O ATOM 288 CB GLU A 19 6.396 -5.029 5.384 1.00 0.00 C ATOM 289 CG GLU A 19 7.144 -5.174 6.730 1.00 0.00 C ATOM 290 CD GLU A 19 6.201 -5.098 7.934 1.00 0.00 C ATOM 291 OE1 GLU A 19 5.448 -4.094 8.036 1.00 0.00 O ATOM 292 OE2 GLU A 19 6.230 -6.040 8.771 1.00 0.00 O ATOM 0 H GLU A 19 5.027 -5.111 3.240 1.00 0.00 H new ATOM 0 HA GLU A 19 6.604 -7.058 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.083 -4.581 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.580 -4.321 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.674 -6.126 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.896 -4.389 6.811 1.00 0.00 H new ATOM 299 N LEU A 20 3.387 -6.642 5.155 1.00 0.00 N ATOM 300 CA LEU A 20 2.142 -7.097 5.762 1.00 0.00 C ATOM 301 C LEU A 20 1.679 -8.428 5.181 1.00 0.00 C ATOM 302 O LEU A 20 1.563 -9.420 5.898 1.00 0.00 O ATOM 303 CB LEU A 20 1.001 -6.052 5.557 1.00 0.00 C ATOM 304 CG LEU A 20 1.071 -4.773 6.423 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.122 -3.848 6.111 1.00 0.00 C ATOM 306 CD2 LEU A 20 1.170 -5.047 7.937 1.00 0.00 C ATOM 0 H LEU A 20 3.215 -6.060 4.335 1.00 0.00 H new ATOM 0 HA LEU A 20 2.349 -7.221 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.996 -5.754 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.049 -6.544 5.753 1.00 0.00 H new ATOM 0 HG LEU A 20 2.002 -4.274 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.059 -2.952 6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.098 -3.566 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.054 -4.371 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.215 -4.101 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.295 -5.609 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.070 -5.625 8.144 1.00 0.00 H new ATOM 318 N TYR A 21 1.363 -8.439 3.856 1.00 0.00 N ATOM 319 CA TYR A 21 0.667 -9.482 3.112 1.00 0.00 C ATOM 320 C TYR A 21 1.634 -10.389 2.368 1.00 0.00 C ATOM 321 O TYR A 21 1.225 -11.430 1.855 1.00 0.00 O ATOM 322 CB TYR A 21 -0.376 -8.884 2.117 1.00 0.00 C ATOM 323 CG TYR A 21 -1.513 -8.245 2.877 1.00 0.00 C ATOM 324 CD1 TYR A 21 -1.452 -6.915 3.337 1.00 0.00 C ATOM 325 CD2 TYR A 21 -2.665 -8.999 3.156 1.00 0.00 C ATOM 326 CE1 TYR A 21 -2.505 -6.367 4.080 1.00 0.00 C ATOM 327 CE2 TYR A 21 -3.731 -8.447 3.876 1.00 0.00 C ATOM 328 CZ TYR A 21 -3.649 -7.130 4.344 1.00 0.00 C ATOM 329 OH TYR A 21 -4.711 -6.579 5.092 1.00 0.00 O ATOM 0 H TYR A 21 1.614 -7.655 3.254 1.00 0.00 H new ATOM 0 HA TYR A 21 0.135 -10.082 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.104 -8.144 1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.760 -9.669 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.584 -6.312 3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.729 -10.020 2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.435 -5.355 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.615 -9.036 4.070 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.427 -7.242 5.182 1.00 0.00 H new ATOM 339 N GLY A 22 2.950 -10.029 2.321 1.00 0.00 N ATOM 340 CA GLY A 22 4.039 -10.906 1.919 1.00 0.00 C ATOM 341 C GLY A 22 4.529 -10.648 0.519 1.00 0.00 C ATOM 342 O GLY A 22 5.563 -10.016 0.315 1.00 0.00 O ATOM 0 H GLY A 22 3.268 -9.093 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.869 -10.784 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.708 -11.942 1.995 1.00 0.00 H new ATOM 346 N SER A 23 3.793 -11.182 -0.485 1.00 0.00 N ATOM 347 CA SER A 23 4.128 -11.126 -1.897 1.00 0.00 C ATOM 348 C SER A 23 2.827 -11.036 -2.656 1.00 0.00 C ATOM 349 O SER A 23 2.812 -10.681 -3.835 1.00 0.00 O ATOM 350 CB SER A 23 4.924 -12.364 -2.404 1.00 0.00 C ATOM 351 OG SER A 23 6.204 -12.435 -1.791 1.00 0.00 O ATOM 0 H SER A 23 2.920 -11.679 -0.309 1.00 0.00 H new ATOM 0 HA SER A 23 4.776 -10.264 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.363 -13.274 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.038 -12.308 -3.487 1.00 0.00 H new ATOM 0 HG SER A 23 6.683 -13.222 -2.125 1.00 0.00 H new ATOM 357 N SER A 24 1.691 -11.356 -1.970 1.00 0.00 N ATOM 358 CA SER A 24 0.329 -11.309 -2.468 1.00 0.00 C ATOM 359 C SER A 24 -0.296 -10.050 -1.892 1.00 0.00 C ATOM 360 O SER A 24 -1.101 -10.116 -0.966 1.00 0.00 O ATOM 361 CB SER A 24 -0.456 -12.595 -2.061 1.00 0.00 C ATOM 362 OG SER A 24 -1.728 -12.700 -2.699 1.00 0.00 O ATOM 0 H SER A 24 1.730 -11.669 -1.000 1.00 0.00 H new ATOM 0 HA SER A 24 0.302 -11.278 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.142 -13.472 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.597 -12.601 -0.980 1.00 0.00 H new ATOM 0 HG SER A 24 -2.173 -13.523 -2.408 1.00 0.00 H new ATOM 368 N ALA A 25 0.097 -8.869 -2.439 1.00 0.00 N ATOM 369 CA ALA A 25 -0.311 -7.559 -1.988 1.00 0.00 C ATOM 370 C ALA A 25 -0.774 -6.805 -3.202 1.00 0.00 C ATOM 371 O ALA A 25 -0.027 -6.653 -4.168 1.00 0.00 O ATOM 372 CB ALA A 25 0.861 -6.786 -1.345 1.00 0.00 C ATOM 0 H ALA A 25 0.732 -8.828 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.094 -7.661 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.515 -5.805 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.236 -7.343 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.660 -6.663 -2.076 1.00 0.00 H new ATOM 378 N GLY A 26 -2.027 -6.273 -3.149 1.00 0.00 N ATOM 379 CA GLY A 26 -2.607 -5.374 -4.127 1.00 0.00 C ATOM 380 C GLY A 26 -2.496 -3.981 -3.576 1.00 0.00 C ATOM 381 O GLY A 26 -3.400 -3.478 -2.917 1.00 0.00 O ATOM 0 H GLY A 26 -2.668 -6.482 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.083 -5.453 -5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.650 -5.631 -4.314 1.00 0.00 H new ATOM 385 N ALA A 27 -1.325 -3.332 -3.816 1.00 0.00 N ATOM 386 CA ALA A 27 -0.923 -2.074 -3.220 1.00 0.00 C ATOM 387 C ALA A 27 -1.302 -0.927 -4.130 1.00 0.00 C ATOM 388 O ALA A 27 -0.840 -0.852 -5.267 1.00 0.00 O ATOM 389 CB ALA A 27 0.599 -2.052 -2.983 1.00 0.00 C ATOM 0 H ALA A 27 -0.624 -3.703 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.435 -1.968 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.884 -1.100 -2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.875 -2.866 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.117 -2.175 -3.934 1.00 0.00 H new ATOM 395 N LYS A 28 -2.193 -0.025 -3.632 1.00 0.00 N ATOM 396 CA LYS A 28 -2.825 1.027 -4.401 1.00 0.00 C ATOM 397 C LYS A 28 -2.523 2.320 -3.695 1.00 0.00 C ATOM 398 O LYS A 28 -2.488 2.375 -2.469 1.00 0.00 O ATOM 399 CB LYS A 28 -4.364 0.832 -4.467 1.00 0.00 C ATOM 400 CG LYS A 28 -4.777 -0.550 -4.995 1.00 0.00 C ATOM 401 CD LYS A 28 -6.287 -0.709 -5.242 1.00 0.00 C ATOM 402 CE LYS A 28 -6.810 0.088 -6.445 1.00 0.00 C ATOM 403 NZ LYS A 28 -8.267 -0.119 -6.622 1.00 0.00 N ATOM 0 H LYS A 28 -2.484 -0.030 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.447 1.019 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.785 0.974 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.794 1.602 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.246 -0.743 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.456 -1.309 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.511 -1.765 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.826 -0.394 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.604 1.149 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.282 -0.220 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.599 0.429 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.457 -1.129 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.769 0.197 -5.768 1.00 0.00 H new ATOM 417 N CYS A 29 -2.321 3.404 -4.478 1.00 0.00 N ATOM 418 CA CYS A 29 -2.022 4.737 -3.993 1.00 0.00 C ATOM 419 C CYS A 29 -3.099 5.631 -4.558 1.00 0.00 C ATOM 420 O CYS A 29 -3.180 5.841 -5.767 1.00 0.00 O ATOM 421 CB CYS A 29 -0.600 5.210 -4.423 1.00 0.00 C ATOM 422 SG CYS A 29 -0.070 6.837 -3.770 1.00 0.00 S ATOM 0 H CYS A 29 -2.367 3.355 -5.496 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.013 4.763 -2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.124 4.459 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.564 5.247 -5.512 1.00 0.00 H new ATOM 427 N MET A 30 -3.951 6.177 -3.652 1.00 0.00 N ATOM 428 CA MET A 30 -5.043 7.086 -3.939 1.00 0.00 C ATOM 429 C MET A 30 -4.787 8.282 -3.038 1.00 0.00 C ATOM 430 O MET A 30 -4.601 8.083 -1.834 1.00 0.00 O ATOM 431 CB MET A 30 -6.425 6.444 -3.623 1.00 0.00 C ATOM 432 CG MET A 30 -6.782 5.280 -4.571 1.00 0.00 C ATOM 433 SD MET A 30 -6.914 5.737 -6.328 1.00 0.00 S ATOM 434 CE MET A 30 -7.125 4.033 -6.917 1.00 0.00 C ATOM 0 H MET A 30 -3.873 5.971 -2.656 1.00 0.00 H new ATOM 0 HA MET A 30 -5.079 7.354 -4.995 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.424 6.081 -2.595 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.198 7.209 -3.690 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.026 4.502 -4.469 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.730 4.847 -4.251 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.232 4.034 -8.002 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.253 3.441 -6.639 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.017 3.600 -6.465 1.00 0.00 H new ATOM 444 N ASN A 31 -4.721 9.545 -3.599 1.00 0.00 N ATOM 445 CA ASN A 31 -4.522 10.823 -2.906 1.00 0.00 C ATOM 446 C ASN A 31 -3.041 11.011 -2.622 1.00 0.00 C ATOM 447 O ASN A 31 -2.297 11.593 -3.409 1.00 0.00 O ATOM 448 CB ASN A 31 -5.447 11.048 -1.656 1.00 0.00 C ATOM 449 CG ASN A 31 -5.448 12.501 -1.133 1.00 0.00 C ATOM 450 OD1 ASN A 31 -4.966 12.767 -0.026 1.00 0.00 O ATOM 451 ND2 ASN A 31 -6.008 13.436 -1.958 1.00 0.00 N ATOM 0 H ASN A 31 -4.814 9.675 -4.606 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.851 11.617 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.467 10.765 -1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.126 10.384 -0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.044 14.414 -1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.390 13.156 -2.861 1.00 0.00 H new ATOM 458 N GLY A 32 -2.611 10.447 -1.474 1.00 0.00 N ATOM 459 CA GLY A 32 -1.235 10.249 -1.130 1.00 0.00 C ATOM 460 C GLY A 32 -1.265 9.453 0.130 1.00 0.00 C ATOM 461 O GLY A 32 -0.683 9.869 1.127 1.00 0.00 O ATOM 0 H GLY A 32 -3.253 10.115 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.703 9.719 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.723 11.200 -0.984 1.00 0.00 H new ATOM 465 N LYS A 33 -1.973 8.286 0.104 1.00 0.00 N ATOM 466 CA LYS A 33 -2.134 7.360 1.213 1.00 0.00 C ATOM 467 C LYS A 33 -2.292 6.006 0.570 1.00 0.00 C ATOM 468 O LYS A 33 -2.734 5.884 -0.571 1.00 0.00 O ATOM 469 CB LYS A 33 -3.337 7.622 2.165 1.00 0.00 C ATOM 470 CG LYS A 33 -3.187 8.897 3.017 1.00 0.00 C ATOM 471 CD LYS A 33 -4.036 10.070 2.493 1.00 0.00 C ATOM 472 CE LYS A 33 -3.859 11.380 3.273 1.00 0.00 C ATOM 473 NZ LYS A 33 -2.510 11.953 3.064 1.00 0.00 N ATOM 0 H LYS A 33 -2.459 7.973 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.267 7.465 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.248 7.697 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.458 6.765 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.475 8.677 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.138 9.194 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.783 10.247 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.087 9.783 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.615 12.099 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.018 11.197 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.044 12.089 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.944 11.304 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.593 12.870 2.580 1.00 0.00 H new ATOM 487 N CYS A 34 -1.897 4.946 1.322 1.00 0.00 N ATOM 488 CA CYS A 34 -1.650 3.598 0.857 1.00 0.00 C ATOM 489 C CYS A 34 -2.795 2.707 1.278 1.00 0.00 C ATOM 490 O CYS A 34 -3.357 2.854 2.360 1.00 0.00 O ATOM 491 CB CYS A 34 -0.295 3.109 1.458 1.00 0.00 C ATOM 492 SG CYS A 34 0.269 1.411 1.107 1.00 0.00 S ATOM 0 H CYS A 34 -1.739 5.038 2.326 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.583 3.567 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.482 3.791 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.358 3.217 2.541 1.00 0.00 H new ATOM 497 N LYS A 35 -3.134 1.738 0.390 1.00 0.00 N ATOM 498 CA LYS A 35 -4.108 0.694 0.599 1.00 0.00 C ATOM 499 C LYS A 35 -3.403 -0.610 0.362 1.00 0.00 C ATOM 500 O LYS A 35 -2.577 -0.712 -0.539 1.00 0.00 O ATOM 501 CB LYS A 35 -5.270 0.811 -0.407 1.00 0.00 C ATOM 502 CG LYS A 35 -6.156 2.028 -0.122 1.00 0.00 C ATOM 503 CD LYS A 35 -7.467 2.030 -0.919 1.00 0.00 C ATOM 504 CE LYS A 35 -7.294 2.336 -2.409 1.00 0.00 C ATOM 505 NZ LYS A 35 -8.603 2.360 -3.104 1.00 0.00 N ATOM 0 H LYS A 35 -2.700 1.682 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.520 0.767 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.868 0.884 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.875 -0.095 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.387 2.058 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.598 2.936 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.946 1.056 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.143 2.767 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.797 3.298 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.650 1.584 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.457 2.570 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.065 1.433 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.207 3.094 -2.682 1.00 0.00 H new ATOM 519 N CYS A 36 -3.739 -1.648 1.171 1.00 0.00 N ATOM 520 CA CYS A 36 -3.172 -2.982 1.071 1.00 0.00 C ATOM 521 C CYS A 36 -4.302 -3.964 0.948 1.00 0.00 C ATOM 522 O CYS A 36 -5.131 -4.098 1.846 1.00 0.00 O ATOM 523 CB CYS A 36 -2.311 -3.399 2.289 1.00 0.00 C ATOM 524 SG CYS A 36 -0.941 -2.274 2.639 1.00 0.00 S ATOM 0 H CYS A 36 -4.426 -1.560 1.919 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.513 -2.977 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.951 -3.461 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.912 -4.398 2.114 1.00 0.00 H new ATOM 529 N TYR A 37 -4.330 -4.704 -0.186 1.00 0.00 N ATOM 530 CA TYR A 37 -5.294 -5.715 -0.519 1.00 0.00 C ATOM 531 C TYR A 37 -4.502 -6.997 -0.698 1.00 0.00 C ATOM 532 O TYR A 37 -3.491 -7.208 -0.029 1.00 0.00 O ATOM 533 CB TYR A 37 -6.040 -5.291 -1.811 1.00 0.00 C ATOM 534 CG TYR A 37 -6.921 -4.092 -1.533 1.00 0.00 C ATOM 535 CD1 TYR A 37 -8.060 -4.243 -0.725 1.00 0.00 C ATOM 536 CD2 TYR A 37 -6.629 -2.812 -2.050 1.00 0.00 C ATOM 537 CE1 TYR A 37 -8.899 -3.157 -0.458 1.00 0.00 C ATOM 538 CE2 TYR A 37 -7.479 -1.726 -1.807 1.00 0.00 C ATOM 539 CZ TYR A 37 -8.623 -1.903 -1.014 1.00 0.00 C ATOM 540 OH TYR A 37 -9.514 -0.836 -0.767 1.00 0.00 O ATOM 0 H TYR A 37 -3.629 -4.585 -0.918 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.055 -5.857 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.320 -5.050 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.645 -6.119 -2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -8.291 -5.211 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.737 -2.668 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.762 -3.286 0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.255 -0.757 -2.228 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.939 -0.960 0.107 1.00 0.00 H new