USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 245 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 11 ASN : amide:sc= -0.0881 K(o=-0.2,f=-1) USER MOD Set 1.2: A 13 SER OG : rot 180:sc= -0.114 USER MOD Set 2.1: A 1 CYS N :NH3+ -141:sc= -0.0497 (180deg=0) USER MOD Set 2.2: A 6 ASN : amide:sc= -0.0547 X(o=-0.1,f=-0.019) USER MOD Single : A 3 LYS NZ :NH3+ -130:sc= -0.253 (180deg=-1.52) USER MOD Single : A 4 ASN : amide:sc= -0.625 K(o=-0.62,f=-2.2!) USER MOD Single : A 9 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.97) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.26) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.48! K(o=-1.5!,f=0) USER MOD Single : A 32 TYR OH : rot -121:sc= 0.408 USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.304 -6.798 2.507 1.00 0.00 N ATOM 2 CA CYS A 1 4.277 -6.589 1.466 1.00 0.00 C ATOM 3 C CYS A 1 3.028 -7.398 1.789 1.00 0.00 C ATOM 4 O CYS A 1 3.113 -8.397 2.503 1.00 0.00 O ATOM 5 CB CYS A 1 4.864 -7.019 0.118 1.00 0.00 C ATOM 6 SG CYS A 1 3.935 -6.423 -1.333 1.00 0.00 S ATOM 0 H1 CYS A 1 5.790 -5.899 2.701 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.851 -7.142 3.378 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.996 -7.501 2.176 1.00 0.00 H new ATOM 0 HA CYS A 1 3.992 -5.538 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 1 5.890 -6.658 0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 1 4.907 -8.108 0.085 1.00 0.00 H new ATOM 13 N ILE A 2 1.878 -6.972 1.251 1.00 0.00 N ATOM 14 CA ILE A 2 0.607 -7.664 1.462 1.00 0.00 C ATOM 15 C ILE A 2 0.099 -7.500 2.910 1.00 0.00 C ATOM 16 O ILE A 2 0.881 -7.209 3.820 1.00 0.00 O ATOM 17 CB ILE A 2 0.764 -9.158 1.095 1.00 0.00 C ATOM 18 CG1 ILE A 2 1.169 -9.299 -0.375 1.00 0.00 C ATOM 19 CG2 ILE A 2 -0.504 -9.957 1.373 1.00 0.00 C ATOM 20 CD1 ILE A 2 1.420 -10.728 -0.804 1.00 0.00 C ATOM 0 H ILE A 2 1.806 -6.143 0.661 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.142 -7.212 0.812 1.00 0.00 H new ATOM 0 HB ILE A 2 1.549 -9.569 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.384 -8.874 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.071 -8.713 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.344 -11.000 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.749 -9.894 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.327 -9.550 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.702 -10.748 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.226 -11.152 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.513 -11.316 -0.660 1.00 0.00 H new ATOM 32 N LYS A 3 -1.220 -7.683 3.091 1.00 0.00 N ATOM 33 CA LYS A 3 -1.892 -7.573 4.397 1.00 0.00 C ATOM 34 C LYS A 3 -2.127 -6.121 4.807 1.00 0.00 C ATOM 35 O LYS A 3 -1.360 -5.224 4.448 1.00 0.00 O ATOM 36 CB LYS A 3 -1.116 -8.318 5.491 1.00 0.00 C ATOM 37 CG LYS A 3 -1.131 -9.831 5.326 1.00 0.00 C ATOM 38 CD LYS A 3 -0.085 -10.523 6.196 1.00 0.00 C ATOM 39 CE LYS A 3 -0.290 -10.264 7.684 1.00 0.00 C ATOM 40 NZ LYS A 3 0.327 -8.983 8.124 1.00 0.00 N ATOM 0 H LYS A 3 -1.856 -7.914 2.327 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.868 -8.045 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.083 -7.971 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.539 -8.063 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.120 -10.211 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.953 -10.081 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.118 -11.597 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.908 -10.179 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.357 -10.245 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.139 -11.087 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.914 -9.151 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.920 -8.603 7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.421 -8.298 8.355 1.00 0.00 H new ATOM 54 N ASN A 4 -3.212 -5.909 5.554 1.00 0.00 N ATOM 55 CA ASN A 4 -3.607 -4.577 6.033 1.00 0.00 C ATOM 56 C ASN A 4 -2.669 -4.079 7.130 1.00 0.00 C ATOM 57 O ASN A 4 -3.105 -3.764 8.240 1.00 0.00 O ATOM 58 CB ASN A 4 -5.043 -4.594 6.578 1.00 0.00 C ATOM 59 CG ASN A 4 -6.071 -5.027 5.552 1.00 0.00 C ATOM 60 OD1 ASN A 4 -6.161 -4.466 4.464 1.00 0.00 O ATOM 61 ND2 ASN A 4 -6.883 -6.010 5.906 1.00 0.00 N ATOM 0 H ASN A 4 -3.844 -6.654 5.846 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.548 -3.902 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.091 -5.266 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.298 -3.598 6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.613 -6.324 5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.779 -6.454 6.819 1.00 0.00 H new ATOM 68 N GLY A 5 -1.389 -4.019 6.823 1.00 0.00 N ATOM 69 CA GLY A 5 -0.409 -3.570 7.784 1.00 0.00 C ATOM 70 C GLY A 5 0.964 -3.492 7.168 1.00 0.00 C ATOM 71 O GLY A 5 1.933 -4.019 7.714 1.00 0.00 O ATOM 0 H GLY A 5 -1.005 -4.276 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.694 -2.590 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.391 -4.252 8.634 1.00 0.00 H new ATOM 75 N ASN A 6 1.039 -2.845 6.018 1.00 0.00 N ATOM 76 CA ASN A 6 2.291 -2.701 5.296 1.00 0.00 C ATOM 77 C ASN A 6 2.165 -1.569 4.290 1.00 0.00 C ATOM 78 O ASN A 6 1.084 -1.345 3.740 1.00 0.00 O ATOM 79 CB ASN A 6 2.647 -4.012 4.588 1.00 0.00 C ATOM 80 CG ASN A 6 4.111 -4.090 4.199 1.00 0.00 C ATOM 81 OD1 ASN A 6 4.575 -3.379 3.310 1.00 0.00 O ATOM 82 ND2 ASN A 6 4.848 -4.958 4.871 1.00 0.00 N ATOM 0 H ASN A 6 0.239 -2.407 5.561 1.00 0.00 H new ATOM 0 HA ASN A 6 3.090 -2.465 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.404 -4.850 5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.032 -4.116 3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.841 -5.056 4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.424 -5.529 5.602 1.00 0.00 H new ATOM 89 N GLY A 7 3.261 -0.854 4.072 1.00 0.00 N ATOM 90 CA GLY A 7 3.259 0.263 3.147 1.00 0.00 C ATOM 91 C GLY A 7 2.871 -0.133 1.740 1.00 0.00 C ATOM 92 O GLY A 7 3.315 -1.162 1.230 1.00 0.00 O ATOM 0 H GLY A 7 4.159 -1.030 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.567 1.024 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.251 0.715 3.130 1.00 0.00 H new ATOM 96 N CYS A 8 2.039 0.680 1.115 1.00 0.00 N ATOM 97 CA CYS A 8 1.585 0.410 -0.237 1.00 0.00 C ATOM 98 C CYS A 8 1.507 1.697 -1.055 1.00 0.00 C ATOM 99 O CYS A 8 2.046 1.769 -2.160 1.00 0.00 O ATOM 100 CB CYS A 8 0.220 -0.287 -0.200 1.00 0.00 C ATOM 101 SG CYS A 8 -0.630 -0.362 -1.809 1.00 0.00 S ATOM 0 H CYS A 8 1.663 1.536 1.524 1.00 0.00 H new ATOM 0 HA CYS A 8 2.307 -0.249 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.354 -1.302 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.421 0.233 0.512 1.00 0.00 H new ATOM 106 N GLN A 9 0.842 2.715 -0.512 1.00 0.00 N ATOM 107 CA GLN A 9 0.705 3.993 -1.209 1.00 0.00 C ATOM 108 C GLN A 9 0.973 5.170 -0.265 1.00 0.00 C ATOM 109 O GLN A 9 0.049 5.894 0.108 1.00 0.00 O ATOM 110 CB GLN A 9 -0.699 4.125 -1.817 1.00 0.00 C ATOM 111 CG GLN A 9 -1.056 3.015 -2.797 1.00 0.00 C ATOM 112 CD GLN A 9 -2.471 3.126 -3.338 1.00 0.00 C ATOM 113 OE1 GLN A 9 -2.982 2.200 -3.968 1.00 0.00 O ATOM 114 NE2 GLN A 9 -3.108 4.265 -3.120 1.00 0.00 N ATOM 0 H GLN A 9 0.392 2.681 0.403 1.00 0.00 H new ATOM 0 HA GLN A 9 1.446 4.016 -2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.433 4.135 -1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.774 5.085 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.353 3.035 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.938 2.051 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.653 5.011 -2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.054 4.397 -3.478 1.00 0.00 H new ATOM 123 N PRO A 10 2.239 5.365 0.148 1.00 0.00 N ATOM 124 CA PRO A 10 2.627 6.450 1.064 1.00 0.00 C ATOM 125 C PRO A 10 2.350 7.849 0.503 1.00 0.00 C ATOM 126 O PRO A 10 1.928 8.744 1.239 1.00 0.00 O ATOM 127 CB PRO A 10 4.130 6.242 1.274 1.00 0.00 C ATOM 128 CG PRO A 10 4.577 5.373 0.150 1.00 0.00 C ATOM 129 CD PRO A 10 3.392 4.530 -0.230 1.00 0.00 C ATOM 0 HA PRO A 10 2.046 6.407 1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.662 7.194 1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.329 5.771 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.914 5.973 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.417 4.748 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.389 4.300 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.390 3.578 0.302 1.00 0.00 H new ATOM 137 N ASN A 11 2.588 8.046 -0.791 1.00 0.00 N ATOM 138 CA ASN A 11 2.356 9.350 -1.410 1.00 0.00 C ATOM 139 C ASN A 11 1.906 9.205 -2.862 1.00 0.00 C ATOM 140 O ASN A 11 2.045 10.124 -3.669 1.00 0.00 O ATOM 141 CB ASN A 11 3.608 10.234 -1.320 1.00 0.00 C ATOM 142 CG ASN A 11 4.788 9.685 -2.097 1.00 0.00 C ATOM 143 OD1 ASN A 11 5.237 8.562 -1.863 1.00 0.00 O ATOM 144 ND2 ASN A 11 5.302 10.476 -3.023 1.00 0.00 N ATOM 0 H ASN A 11 2.938 7.329 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 11 1.553 9.836 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.368 11.230 -1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.891 10.345 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.100 10.163 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.900 11.399 -3.185 1.00 0.00 H new ATOM 151 N GLY A 12 1.325 8.054 -3.168 1.00 0.00 N ATOM 152 CA GLY A 12 0.805 7.789 -4.500 1.00 0.00 C ATOM 153 C GLY A 12 1.858 7.707 -5.594 1.00 0.00 C ATOM 154 O GLY A 12 1.571 8.017 -6.749 1.00 0.00 O ATOM 0 H GLY A 12 1.202 7.286 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.251 6.850 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.093 8.573 -4.759 1.00 0.00 H new ATOM 158 N SER A 13 3.056 7.258 -5.259 1.00 0.00 N ATOM 159 CA SER A 13 4.118 7.112 -6.250 1.00 0.00 C ATOM 160 C SER A 13 3.962 5.783 -6.983 1.00 0.00 C ATOM 161 O SER A 13 4.855 4.932 -6.942 1.00 0.00 O ATOM 162 CB SER A 13 5.494 7.184 -5.584 1.00 0.00 C ATOM 163 OG SER A 13 5.659 8.407 -4.892 1.00 0.00 O ATOM 0 H SER A 13 3.321 6.988 -4.312 1.00 0.00 H new ATOM 0 HA SER A 13 4.040 7.930 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.610 6.351 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.273 7.081 -6.339 1.00 0.00 H new ATOM 0 HG SER A 13 6.545 8.429 -4.473 1.00 0.00 H new ATOM 169 N GLN A 14 2.807 5.604 -7.624 1.00 0.00 N ATOM 170 CA GLN A 14 2.497 4.374 -8.346 1.00 0.00 C ATOM 171 C GLN A 14 2.462 3.208 -7.367 1.00 0.00 C ATOM 172 O GLN A 14 3.092 2.168 -7.583 1.00 0.00 O ATOM 173 CB GLN A 14 3.517 4.119 -9.458 1.00 0.00 C ATOM 174 CG GLN A 14 3.604 5.249 -10.468 1.00 0.00 C ATOM 175 CD GLN A 14 4.704 5.032 -11.483 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.877 4.916 -11.126 1.00 0.00 O ATOM 177 NE2 GLN A 14 4.337 4.984 -12.752 1.00 0.00 N ATOM 0 H GLN A 14 2.065 6.304 -7.657 1.00 0.00 H new ATOM 0 HA GLN A 14 1.519 4.476 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.499 3.965 -9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.254 3.197 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.649 5.344 -10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.777 6.189 -9.944 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.353 5.085 -13.003 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.037 4.846 -13.481 1.00 0.00 H new ATOM 186 N GLY A 15 1.730 3.410 -6.274 1.00 0.00 N ATOM 187 CA GLY A 15 1.614 2.401 -5.241 1.00 0.00 C ATOM 188 C GLY A 15 1.002 1.114 -5.746 1.00 0.00 C ATOM 189 O GLY A 15 -0.006 1.134 -6.458 1.00 0.00 O ATOM 0 H GLY A 15 1.210 4.267 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.602 2.192 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.006 2.791 -4.425 1.00 0.00 H new ATOM 193 N ASN A 16 1.611 -0.003 -5.384 1.00 0.00 N ATOM 194 CA ASN A 16 1.130 -1.306 -5.810 1.00 0.00 C ATOM 195 C ASN A 16 1.627 -2.389 -4.861 1.00 0.00 C ATOM 196 O ASN A 16 2.824 -2.485 -4.582 1.00 0.00 O ATOM 197 CB ASN A 16 1.599 -1.594 -7.242 1.00 0.00 C ATOM 198 CG ASN A 16 1.070 -2.904 -7.793 1.00 0.00 C ATOM 199 OD1 ASN A 16 1.465 -3.987 -7.362 1.00 0.00 O ATOM 200 ND2 ASN A 16 0.164 -2.815 -8.750 1.00 0.00 N ATOM 0 H ASN A 16 2.442 -0.033 -4.794 1.00 0.00 H new ATOM 0 HA ASN A 16 0.040 -1.304 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.281 -0.779 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.689 -1.612 -7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.233 -3.662 -9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.139 -1.899 -9.082 1.00 0.00 H new ATOM 207 N CYS A 17 0.706 -3.194 -4.366 1.00 0.00 N ATOM 208 CA CYS A 17 1.040 -4.270 -3.453 1.00 0.00 C ATOM 209 C CYS A 17 1.206 -5.576 -4.218 1.00 0.00 C ATOM 210 O CYS A 17 0.549 -5.792 -5.236 1.00 0.00 O ATOM 211 CB CYS A 17 -0.039 -4.428 -2.391 1.00 0.00 C ATOM 212 SG CYS A 17 0.560 -5.275 -0.900 1.00 0.00 S ATOM 0 H CYS A 17 -0.288 -3.121 -4.584 1.00 0.00 H new ATOM 0 HA CYS A 17 1.980 -4.021 -2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.419 -3.444 -2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.876 -4.987 -2.810 1.00 0.00 H new ATOM 217 N CYS A 18 2.087 -6.433 -3.722 1.00 0.00 N ATOM 218 CA CYS A 18 2.364 -7.725 -4.342 1.00 0.00 C ATOM 219 C CYS A 18 1.089 -8.550 -4.493 1.00 0.00 C ATOM 220 O CYS A 18 0.924 -9.280 -5.469 1.00 0.00 O ATOM 221 CB CYS A 18 3.384 -8.484 -3.495 1.00 0.00 C ATOM 222 SG CYS A 18 4.748 -7.434 -2.896 1.00 0.00 S ATOM 0 H CYS A 18 2.631 -6.254 -2.878 1.00 0.00 H new ATOM 0 HA CYS A 18 2.769 -7.553 -5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.876 -8.930 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.797 -9.303 -4.084 1.00 0.00 H new ATOM 227 N SER A 19 0.187 -8.417 -3.526 1.00 0.00 N ATOM 228 CA SER A 19 -1.081 -9.135 -3.545 1.00 0.00 C ATOM 229 C SER A 19 -1.936 -8.706 -4.733 1.00 0.00 C ATOM 230 O SER A 19 -2.754 -9.475 -5.237 1.00 0.00 O ATOM 231 CB SER A 19 -1.835 -8.880 -2.238 1.00 0.00 C ATOM 232 OG SER A 19 -1.846 -7.494 -1.920 1.00 0.00 O ATOM 0 H SER A 19 0.313 -7.813 -2.714 1.00 0.00 H new ATOM 0 HA SER A 19 -0.874 -10.200 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.858 -9.245 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.366 -9.439 -1.428 1.00 0.00 H new ATOM 0 HG SER A 19 -2.334 -7.355 -1.082 1.00 0.00 H new ATOM 238 N GLY A 20 -1.755 -7.465 -5.161 1.00 0.00 N ATOM 239 CA GLY A 20 -2.527 -6.940 -6.262 1.00 0.00 C ATOM 240 C GLY A 20 -3.799 -6.325 -5.749 1.00 0.00 C ATOM 241 O GLY A 20 -4.833 -6.326 -6.419 1.00 0.00 O ATOM 0 H GLY A 20 -1.082 -6.811 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.945 -6.194 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.758 -7.737 -6.968 1.00 0.00 H new ATOM 245 N TYR A 21 -3.709 -5.803 -4.538 1.00 0.00 N ATOM 246 CA TYR A 21 -4.830 -5.176 -3.880 1.00 0.00 C ATOM 247 C TYR A 21 -4.307 -4.267 -2.775 1.00 0.00 C ATOM 248 O TYR A 21 -3.420 -4.653 -2.008 1.00 0.00 O ATOM 249 CB TYR A 21 -5.756 -6.248 -3.305 1.00 0.00 C ATOM 250 CG TYR A 21 -7.168 -5.774 -3.065 1.00 0.00 C ATOM 251 CD1 TYR A 21 -7.806 -4.949 -3.981 1.00 0.00 C ATOM 252 CD2 TYR A 21 -7.861 -6.155 -1.929 1.00 0.00 C ATOM 253 CE1 TYR A 21 -9.100 -4.515 -3.767 1.00 0.00 C ATOM 254 CE2 TYR A 21 -9.155 -5.727 -1.707 1.00 0.00 C ATOM 255 CZ TYR A 21 -9.771 -4.907 -2.628 1.00 0.00 C ATOM 256 OH TYR A 21 -11.059 -4.477 -2.406 1.00 0.00 O ATOM 0 H TYR A 21 -2.851 -5.805 -3.986 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.399 -4.580 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.780 -7.097 -3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.339 -6.607 -2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.283 -4.642 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.382 -6.797 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.583 -3.872 -4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.682 -6.033 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.385 -4.846 -1.559 1.00 0.00 H new ATOM 266 N CYS A 22 -4.826 -3.056 -2.721 1.00 0.00 N ATOM 267 CA CYS A 22 -4.389 -2.081 -1.740 1.00 0.00 C ATOM 268 C CYS A 22 -5.600 -1.423 -1.084 1.00 0.00 C ATOM 269 O CYS A 22 -6.737 -1.857 -1.299 1.00 0.00 O ATOM 270 CB CYS A 22 -3.514 -1.038 -2.444 1.00 0.00 C ATOM 271 SG CYS A 22 -2.561 0.056 -1.342 1.00 0.00 S ATOM 0 H CYS A 22 -5.556 -2.722 -3.350 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.808 -2.568 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.818 -1.558 -3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.152 -0.421 -3.077 1.00 0.00 H new ATOM 276 N HIS A 23 -5.362 -0.390 -0.286 1.00 0.00 N ATOM 277 CA HIS A 23 -6.434 0.319 0.399 1.00 0.00 C ATOM 278 C HIS A 23 -5.927 1.658 0.922 1.00 0.00 C ATOM 279 O HIS A 23 -5.034 1.708 1.768 1.00 0.00 O ATOM 280 CB HIS A 23 -6.969 -0.525 1.565 1.00 0.00 C ATOM 281 CG HIS A 23 -8.221 0.013 2.200 1.00 0.00 C ATOM 282 ND1 HIS A 23 -8.822 -0.575 3.291 1.00 0.00 N ATOM 283 CD2 HIS A 23 -8.995 1.078 1.883 1.00 0.00 C ATOM 284 CE1 HIS A 23 -9.907 0.101 3.612 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.037 1.110 2.775 1.00 0.00 N ATOM 0 H HIS A 23 -4.429 -0.023 -0.097 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.242 0.496 -0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.164 -1.536 1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.194 -0.601 2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.823 1.775 1.076 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.578 -0.133 4.426 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.788 1.800 2.788 1.00 0.00 H new ATOM 294 N LYS A 24 -6.516 2.740 0.442 1.00 0.00 N ATOM 295 CA LYS A 24 -6.132 4.065 0.888 1.00 0.00 C ATOM 296 C LYS A 24 -7.329 5.003 0.881 1.00 0.00 C ATOM 297 O LYS A 24 -7.936 5.262 -0.158 1.00 0.00 O ATOM 298 CB LYS A 24 -5.003 4.642 0.026 1.00 0.00 C ATOM 299 CG LYS A 24 -4.522 6.002 0.513 1.00 0.00 C ATOM 300 CD LYS A 24 -3.337 6.513 -0.286 1.00 0.00 C ATOM 301 CE LYS A 24 -2.947 7.916 0.152 1.00 0.00 C ATOM 302 NZ LYS A 24 -1.910 8.508 -0.730 1.00 0.00 N ATOM 0 H LYS A 24 -7.260 2.726 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.763 3.972 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.164 3.946 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.349 4.732 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.340 6.720 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.245 5.932 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.490 5.840 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.584 6.515 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.831 8.554 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.577 7.886 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.674 9.464 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.057 7.914 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.272 8.562 -1.704 1.00 0.00 H new ATOM 316 N GLN A 25 -7.646 5.513 2.058 1.00 0.00 N ATOM 317 CA GLN A 25 -8.748 6.437 2.233 1.00 0.00 C ATOM 318 C GLN A 25 -8.222 7.863 2.173 1.00 0.00 C ATOM 319 O GLN A 25 -7.072 8.110 2.538 1.00 0.00 O ATOM 320 CB GLN A 25 -9.436 6.188 3.577 1.00 0.00 C ATOM 321 CG GLN A 25 -10.011 4.789 3.722 1.00 0.00 C ATOM 322 CD GLN A 25 -10.545 4.511 5.117 1.00 0.00 C ATOM 323 OE1 GLN A 25 -11.126 3.455 5.371 1.00 0.00 O ATOM 324 NE2 GLN A 25 -10.338 5.444 6.034 1.00 0.00 N ATOM 0 H GLN A 25 -7.145 5.297 2.919 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.477 6.285 1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.719 6.361 4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.238 6.915 3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.814 4.655 2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.239 4.058 3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.853 6.306 5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.664 5.301 6.990 1.00 0.00 H new ATOM 333 N PRO A 26 -9.044 8.814 1.702 1.00 0.00 N ATOM 334 CA PRO A 26 -8.654 10.226 1.591 1.00 0.00 C ATOM 335 C PRO A 26 -8.505 10.902 2.956 1.00 0.00 C ATOM 336 O PRO A 26 -9.170 11.899 3.246 1.00 0.00 O ATOM 337 CB PRO A 26 -9.809 10.853 0.806 1.00 0.00 C ATOM 338 CG PRO A 26 -10.977 9.979 1.099 1.00 0.00 C ATOM 339 CD PRO A 26 -10.423 8.589 1.231 1.00 0.00 C ATOM 0 HA PRO A 26 -7.682 10.342 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.992 11.880 1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.593 10.882 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.478 10.289 2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.716 10.032 0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.998 7.993 1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.441 8.057 0.280 1.00 0.00 H new ATOM 347 N GLY A 27 -7.641 10.349 3.793 1.00 0.00 N ATOM 348 CA GLY A 27 -7.421 10.895 5.113 1.00 0.00 C ATOM 349 C GLY A 27 -6.032 10.596 5.623 1.00 0.00 C ATOM 350 O GLY A 27 -5.258 11.514 5.902 1.00 0.00 O ATOM 0 H GLY A 27 -7.083 9.523 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.574 11.974 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.157 10.483 5.803 1.00 0.00 H new ATOM 354 N TRP A 28 -5.701 9.315 5.734 1.00 0.00 N ATOM 355 CA TRP A 28 -4.383 8.918 6.203 1.00 0.00 C ATOM 356 C TRP A 28 -3.339 9.195 5.126 1.00 0.00 C ATOM 357 O TRP A 28 -3.667 9.300 3.942 1.00 0.00 O ATOM 358 CB TRP A 28 -4.359 7.448 6.659 1.00 0.00 C ATOM 359 CG TRP A 28 -4.720 6.437 5.608 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.238 6.362 4.337 1.00 0.00 C ATOM 361 CD2 TRP A 28 -5.629 5.341 5.755 1.00 0.00 C ATOM 362 NE1 TRP A 28 -4.788 5.288 3.684 1.00 0.00 N ATOM 363 CE2 TRP A 28 -5.647 4.646 4.534 1.00 0.00 C ATOM 364 CE3 TRP A 28 -6.431 4.879 6.802 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -6.430 3.518 4.328 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -7.212 3.759 6.597 1.00 0.00 C ATOM 367 CH2 TRP A 28 -7.206 3.088 5.368 1.00 0.00 C ATOM 0 H TRP A 28 -6.324 8.540 5.507 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.136 9.517 7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.361 7.218 7.031 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.046 7.335 7.498 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.525 7.049 3.905 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.589 5.013 2.722 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.440 5.389 7.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.426 2.999 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.838 3.394 7.398 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.827 2.214 5.239 1.00 0.00 H new ATOM 378 N VAL A 29 -2.093 9.349 5.539 1.00 0.00 N ATOM 379 CA VAL A 29 -1.018 9.648 4.606 1.00 0.00 C ATOM 380 C VAL A 29 -0.635 8.430 3.769 1.00 0.00 C ATOM 381 O VAL A 29 -0.773 8.434 2.545 1.00 0.00 O ATOM 382 CB VAL A 29 0.235 10.162 5.341 1.00 0.00 C ATOM 383 CG1 VAL A 29 1.295 10.610 4.346 1.00 0.00 C ATOM 384 CG2 VAL A 29 -0.126 11.292 6.293 1.00 0.00 C ATOM 0 H VAL A 29 -1.800 9.272 6.513 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.396 10.427 3.943 1.00 0.00 H new ATOM 0 HB VAL A 29 0.647 9.342 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.171 10.969 4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.578 9.769 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.896 11.413 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.773 11.640 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.567 12.115 5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.843 10.932 7.030 1.00 0.00 H new ATOM 394 N ALA A 30 -0.137 7.398 4.430 1.00 0.00 N ATOM 395 CA ALA A 30 0.287 6.191 3.741 1.00 0.00 C ATOM 396 C ALA A 30 -0.816 5.144 3.680 1.00 0.00 C ATOM 397 O ALA A 30 -1.352 4.726 4.709 1.00 0.00 O ATOM 398 CB ALA A 30 1.522 5.614 4.418 1.00 0.00 C ATOM 0 H ALA A 30 -0.017 7.372 5.443 1.00 0.00 H new ATOM 0 HA ALA A 30 0.527 6.467 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.834 4.709 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.329 6.346 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.289 5.372 5.455 1.00 0.00 H new ATOM 404 N GLY A 31 -1.125 4.703 2.469 1.00 0.00 N ATOM 405 CA GLY A 31 -2.129 3.677 2.278 1.00 0.00 C ATOM 406 C GLY A 31 -1.523 2.302 2.449 1.00 0.00 C ATOM 407 O GLY A 31 -0.424 2.048 1.948 1.00 0.00 O ATOM 0 H GLY A 31 -0.694 5.041 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.939 3.815 2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.565 3.767 1.283 1.00 0.00 H new ATOM 411 N TYR A 32 -2.212 1.426 3.160 1.00 0.00 N ATOM 412 CA TYR A 32 -1.711 0.079 3.400 1.00 0.00 C ATOM 413 C TYR A 32 -2.288 -0.928 2.412 1.00 0.00 C ATOM 414 O TYR A 32 -3.277 -0.653 1.731 1.00 0.00 O ATOM 415 CB TYR A 32 -2.001 -0.361 4.844 1.00 0.00 C ATOM 416 CG TYR A 32 -3.448 -0.212 5.290 1.00 0.00 C ATOM 417 CD1 TYR A 32 -4.495 -0.764 4.560 1.00 0.00 C ATOM 418 CD2 TYR A 32 -3.759 0.476 6.454 1.00 0.00 C ATOM 419 CE1 TYR A 32 -5.803 -0.635 4.978 1.00 0.00 C ATOM 420 CE2 TYR A 32 -5.066 0.609 6.878 1.00 0.00 C ATOM 421 CZ TYR A 32 -6.084 0.051 6.136 1.00 0.00 C ATOM 422 OH TYR A 32 -7.390 0.177 6.558 1.00 0.00 O ATOM 0 H TYR A 32 -3.120 1.621 3.582 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.632 0.106 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.710 -1.406 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.369 0.218 5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.280 -1.303 3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.964 0.915 7.039 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.603 -1.071 4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.289 1.148 7.787 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.622 1.127 6.625 1.00 0.00 H new ATOM 432 N CYS A 33 -1.667 -2.097 2.355 1.00 0.00 N ATOM 433 CA CYS A 33 -2.116 -3.165 1.474 1.00 0.00 C ATOM 434 C CYS A 33 -3.429 -3.757 1.966 1.00 0.00 C ATOM 435 O CYS A 33 -3.868 -3.482 3.079 1.00 0.00 O ATOM 436 CB CYS A 33 -1.079 -4.280 1.406 1.00 0.00 C ATOM 437 SG CYS A 33 0.458 -3.851 0.537 1.00 0.00 S ATOM 0 H CYS A 33 -0.845 -2.331 2.912 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.257 -2.732 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.830 -4.586 2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.528 -5.143 0.914 1.00 0.00 H new ATOM 442 N ARG A 34 -4.033 -4.589 1.134 1.00 0.00 N ATOM 443 CA ARG A 34 -5.279 -5.247 1.475 1.00 0.00 C ATOM 444 C ARG A 34 -5.354 -6.578 0.740 1.00 0.00 C ATOM 445 O ARG A 34 -4.903 -6.685 -0.397 1.00 0.00 O ATOM 446 CB ARG A 34 -6.471 -4.352 1.119 1.00 0.00 C ATOM 447 CG ARG A 34 -7.819 -4.968 1.441 1.00 0.00 C ATOM 448 CD ARG A 34 -8.936 -3.940 1.392 1.00 0.00 C ATOM 449 NE ARG A 34 -8.825 -3.048 0.237 1.00 0.00 N ATOM 450 CZ ARG A 34 -9.777 -2.196 -0.134 1.00 0.00 C ATOM 451 NH1 ARG A 34 -10.948 -2.196 0.490 1.00 0.00 N ATOM 452 NH2 ARG A 34 -9.558 -1.353 -1.138 1.00 0.00 N ATOM 0 H ARG A 34 -3.674 -4.825 0.209 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.316 -5.432 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.377 -3.408 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.433 -4.120 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.031 -5.769 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.784 -5.420 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.897 -4.453 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.921 -3.348 2.307 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.968 -3.082 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.119 -2.849 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.678 -1.543 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.661 -1.360 -1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.287 -0.699 -1.423 1.00 0.00 H new ATOM 466 N ARG A 35 -5.891 -7.596 1.395 1.00 0.00 N ATOM 467 CA ARG A 35 -5.990 -8.914 0.782 1.00 0.00 C ATOM 468 C ARG A 35 -7.390 -9.158 0.226 1.00 0.00 C ATOM 469 O ARG A 35 -7.550 -9.827 -0.793 1.00 0.00 O ATOM 470 CB ARG A 35 -5.609 -10.013 1.782 1.00 0.00 C ATOM 471 CG ARG A 35 -6.478 -10.040 3.025 1.00 0.00 C ATOM 472 CD ARG A 35 -6.106 -11.185 3.949 1.00 0.00 C ATOM 473 NE ARG A 35 -6.929 -11.189 5.156 1.00 0.00 N ATOM 474 CZ ARG A 35 -6.818 -12.078 6.140 1.00 0.00 C ATOM 475 NH1 ARG A 35 -5.929 -13.060 6.063 1.00 0.00 N ATOM 476 NH2 ARG A 35 -7.604 -11.981 7.205 1.00 0.00 N ATOM 0 H ARG A 35 -6.262 -7.538 2.343 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.285 -8.947 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.673 -10.981 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.570 -9.875 2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.378 -9.095 3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.525 -10.133 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.226 -12.132 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.055 -11.104 4.225 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.637 -10.461 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.324 -13.138 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.850 -13.737 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.289 -11.228 7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.523 -12.660 7.962 1.00 0.00 H new ATOM 490 N LYS A 36 -8.400 -8.619 0.901 1.00 0.00 N ATOM 491 CA LYS A 36 -9.785 -8.787 0.477 1.00 0.00 C ATOM 492 C LYS A 36 -10.679 -7.787 1.198 1.00 0.00 C ATOM 493 O LYS A 36 -11.878 -7.698 0.859 1.00 0.00 O ATOM 494 CB LYS A 36 -10.256 -10.218 0.763 1.00 0.00 C ATOM 495 CG LYS A 36 -10.137 -10.620 2.226 1.00 0.00 C ATOM 496 CD LYS A 36 -10.380 -12.107 2.418 1.00 0.00 C ATOM 497 CE LYS A 36 -10.222 -12.518 3.874 1.00 0.00 C ATOM 498 NZ LYS A 36 -11.321 -11.993 4.729 1.00 0.00 N ATOM 499 OXT LYS A 36 -10.177 -7.091 2.104 1.00 0.00 O ATOM 0 H LYS A 36 -8.284 -8.060 1.747 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.848 -8.605 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.296 -10.318 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.673 -10.911 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.144 -10.362 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.855 -10.054 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.383 -12.359 2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.681 -12.673 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.199 -13.606 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.266 -12.155 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.209 -12.353 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.286 -10.954 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.237 -12.305 4.347 1.00 0.00 H new TER 513 LYS A 36