USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 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 71 ASN : amide:sc= 0 X(o=-0.19,f=0.28) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.36) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0544 K(o=-0.054,f=-1.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 106:sc= 0.237 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -42:sc= 0.283 USER MOD Single : A 34 SER OG : rot 140:sc= 0.0946 USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= 0.604 (180deg=0.0884) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.55 K(o=-1.5,f=-8.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.018) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HE2:sc= 0.0417 F(o=-0.52,f=0.042) USER MOD Single : A 81 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.6) USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= 0.757 (180deg=-0.799) USER MOD Single : A 83 SER OG : rot 175:sc= -0.149 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -146:sc= -2.12! (180deg=-3.58!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -1.954 10.930 5.663 1.00 0.00 N ATOM 91 CA VAL A 7 -2.542 9.859 4.876 1.00 0.00 C ATOM 92 C VAL A 7 -1.486 8.781 4.622 1.00 0.00 C ATOM 93 O VAL A 7 -0.289 9.043 4.724 1.00 0.00 O ATOM 94 CB VAL A 7 -3.141 10.424 3.587 1.00 0.00 C ATOM 95 CG1 VAL A 7 -3.887 9.340 2.807 1.00 0.00 C ATOM 96 CG2 VAL A 7 -4.055 11.615 3.883 1.00 0.00 C ATOM 0 HA VAL A 7 -3.362 9.390 5.421 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.320 10.779 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.303 9.769 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.196 8.537 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.694 8.940 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.468 11.998 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.868 11.296 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.481 12.400 4.375 1.00 0.00 H new ATOM 106 N ASP A 8 -1.969 7.590 4.296 1.00 0.00 N ATOM 107 CA ASP A 8 -1.082 6.471 4.027 1.00 0.00 C ATOM 108 C ASP A 8 -1.834 5.415 3.215 1.00 0.00 C ATOM 109 O ASP A 8 -1.628 4.217 3.407 1.00 0.00 O ATOM 110 CB ASP A 8 -0.608 5.819 5.327 1.00 0.00 C ATOM 111 CG ASP A 8 0.683 5.006 5.209 1.00 0.00 C ATOM 112 OD1 ASP A 8 1.006 4.617 4.067 1.00 0.00 O ATOM 113 OD2 ASP A 8 1.317 4.792 6.265 1.00 0.00 O ATOM 0 H ASP A 8 -2.963 7.376 4.212 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.219 6.848 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.462 6.599 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.398 5.166 5.698 1.00 0.00 H new ATOM 118 N CYS A 9 -2.690 5.896 2.326 1.00 0.00 N ATOM 119 CA CYS A 9 -3.473 5.007 1.484 1.00 0.00 C ATOM 120 C CYS A 9 -4.053 3.899 2.365 1.00 0.00 C ATOM 121 O CYS A 9 -4.075 2.735 1.969 1.00 0.00 O ATOM 122 CB CYS A 9 -2.642 4.444 0.330 1.00 0.00 C ATOM 123 SG CYS A 9 -3.518 4.354 -1.275 1.00 0.00 S ATOM 0 H CYS A 9 -2.859 6.890 2.170 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.287 5.564 1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.751 5.060 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.303 3.444 0.599 1.00 0.00 H new ATOM 128 N LYS A 10 -4.508 4.300 3.543 1.00 0.00 N ATOM 129 CA LYS A 10 -5.087 3.355 4.482 1.00 0.00 C ATOM 130 C LYS A 10 -6.547 3.097 4.106 1.00 0.00 C ATOM 131 O LYS A 10 -6.970 1.947 3.996 1.00 0.00 O ATOM 132 CB LYS A 10 -4.900 3.846 5.919 1.00 0.00 C ATOM 133 CG LYS A 10 -6.068 4.733 6.352 1.00 0.00 C ATOM 134 CD LYS A 10 -5.918 5.165 7.812 1.00 0.00 C ATOM 135 CE LYS A 10 -7.249 5.664 8.376 1.00 0.00 C ATOM 136 NZ LYS A 10 -7.988 4.555 9.020 1.00 0.00 N ATOM 0 H LYS A 10 -4.487 5.266 3.868 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.570 2.397 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.819 2.992 6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.967 4.403 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.117 5.614 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.006 4.193 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.558 4.326 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.169 5.953 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.069 6.458 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.851 6.094 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.889 4.911 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.177 3.810 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.418 4.163 9.797 1.00 0.00 H new ATOM 150 N GLY A 11 -7.278 4.186 3.918 1.00 0.00 N ATOM 151 CA GLY A 11 -8.682 4.092 3.556 1.00 0.00 C ATOM 152 C GLY A 11 -8.862 4.153 2.038 1.00 0.00 C ATOM 153 O GLY A 11 -9.985 4.099 1.539 1.00 0.00 O ATOM 0 H GLY A 11 -6.924 5.138 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.098 3.160 3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.237 4.905 4.025 1.00 0.00 H new ATOM 157 N GLN A 12 -7.738 4.264 1.344 1.00 0.00 N ATOM 158 CA GLN A 12 -7.757 4.333 -0.107 1.00 0.00 C ATOM 159 C GLN A 12 -7.220 3.032 -0.707 1.00 0.00 C ATOM 160 O GLN A 12 -7.128 2.898 -1.926 1.00 0.00 O ATOM 161 CB GLN A 12 -6.961 5.539 -0.609 1.00 0.00 C ATOM 162 CG GLN A 12 -7.764 6.831 -0.449 1.00 0.00 C ATOM 163 CD GLN A 12 -7.547 7.443 0.937 1.00 0.00 C ATOM 164 OE1 GLN A 12 -8.268 7.172 1.883 1.00 0.00 O ATOM 165 NE2 GLN A 12 -6.516 8.280 1.004 1.00 0.00 N ATOM 0 H GLN A 12 -6.808 4.308 1.761 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.790 4.461 -0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.025 5.617 -0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.700 5.396 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.467 7.546 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.824 6.625 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.953 8.463 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.288 8.739 1.886 1.00 0.00 H new ATOM 174 N CYS A 13 -6.878 2.106 0.177 1.00 0.00 N ATOM 175 CA CYS A 13 -6.352 0.821 -0.250 1.00 0.00 C ATOM 176 C CYS A 13 -7.337 -0.268 0.180 1.00 0.00 C ATOM 177 O CYS A 13 -7.012 -1.108 1.018 1.00 0.00 O ATOM 178 CB CYS A 13 -4.948 0.572 0.304 1.00 0.00 C ATOM 179 SG CYS A 13 -3.618 1.517 -0.524 1.00 0.00 S ATOM 0 H CYS A 13 -6.955 2.221 1.188 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.250 0.809 -1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.943 0.818 1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.724 -0.492 0.222 1.00 0.00 H new ATOM 184 N THR A 14 -8.521 -0.218 -0.412 1.00 0.00 N ATOM 185 CA THR A 14 -9.555 -1.190 -0.101 1.00 0.00 C ATOM 186 C THR A 14 -9.883 -2.034 -1.334 1.00 0.00 C ATOM 187 O THR A 14 -9.960 -3.258 -1.251 1.00 0.00 O ATOM 188 CB THR A 14 -10.763 -0.433 0.456 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.435 -0.218 1.826 1.00 0.00 O ATOM 190 CG2 THR A 14 -12.024 -1.299 0.507 1.00 0.00 C ATOM 0 H THR A 14 -8.787 0.481 -1.106 1.00 0.00 H new ATOM 0 HA THR A 14 -9.218 -1.897 0.657 1.00 0.00 H new ATOM 0 HB THR A 14 -10.953 0.449 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.164 0.269 2.264 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.851 -0.714 0.910 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.274 -1.637 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.846 -2.164 1.146 1.00 0.00 H new ATOM 198 N THR A 15 -10.068 -1.345 -2.451 1.00 0.00 N ATOM 199 CA THR A 15 -10.386 -2.015 -3.700 1.00 0.00 C ATOM 200 C THR A 15 -9.138 -2.687 -4.277 1.00 0.00 C ATOM 201 O THR A 15 -9.186 -3.846 -4.688 1.00 0.00 O ATOM 202 CB THR A 15 -11.013 -0.986 -4.643 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.408 -1.270 -4.588 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.640 -1.229 -6.107 1.00 0.00 C ATOM 0 H THR A 15 -10.004 -0.329 -2.517 1.00 0.00 H new ATOM 0 HA THR A 15 -11.107 -2.817 -3.546 1.00 0.00 H new ATOM 0 HB THR A 15 -10.697 0.015 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.892 -0.647 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.111 -0.471 -6.733 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.557 -1.172 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.986 -2.217 -6.411 1.00 0.00 H new ATOM 212 N PRO A 16 -8.022 -1.911 -4.291 1.00 0.00 N ATOM 213 CA PRO A 16 -6.764 -2.418 -4.811 1.00 0.00 C ATOM 214 C PRO A 16 -6.116 -3.393 -3.825 1.00 0.00 C ATOM 215 O PRO A 16 -5.123 -4.042 -4.150 1.00 0.00 O ATOM 216 CB PRO A 16 -5.917 -1.183 -5.068 1.00 0.00 C ATOM 217 CG PRO A 16 -6.550 -0.067 -4.252 1.00 0.00 C ATOM 218 CD PRO A 16 -7.928 -0.534 -3.814 1.00 0.00 C ATOM 0 HA PRO A 16 -6.890 -2.995 -5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.883 -1.349 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.904 -0.932 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.933 0.169 -3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.626 0.844 -4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.038 -0.482 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.712 0.089 -4.244 1.00 0.00 H new ATOM 226 N CYS A 17 -6.705 -3.464 -2.640 1.00 0.00 N ATOM 227 CA CYS A 17 -6.197 -4.348 -1.605 1.00 0.00 C ATOM 228 C CYS A 17 -7.355 -5.214 -1.103 1.00 0.00 C ATOM 229 O CYS A 17 -7.249 -5.853 -0.057 1.00 0.00 O ATOM 230 CB CYS A 17 -5.535 -3.567 -0.468 1.00 0.00 C ATOM 231 SG CYS A 17 -3.978 -2.721 -0.924 1.00 0.00 S ATOM 0 H CYS A 17 -7.529 -2.924 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.418 -4.988 -2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.241 -2.824 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.332 -4.252 0.355 1.00 0.00 H new ATOM 236 N GLU A 18 -8.433 -5.209 -1.874 1.00 0.00 N ATOM 237 CA GLU A 18 -9.609 -5.986 -1.521 1.00 0.00 C ATOM 238 C GLU A 18 -9.297 -7.482 -1.593 1.00 0.00 C ATOM 239 O GLU A 18 -9.506 -8.211 -0.624 1.00 0.00 O ATOM 240 CB GLU A 18 -10.793 -5.629 -2.421 1.00 0.00 C ATOM 241 CG GLU A 18 -12.006 -5.207 -1.590 1.00 0.00 C ATOM 242 CD GLU A 18 -13.311 -5.581 -2.296 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.309 -6.632 -2.972 1.00 0.00 O ATOM 244 OE2 GLU A 18 -14.280 -4.806 -2.144 1.00 0.00 O ATOM 0 H GLU A 18 -8.516 -4.679 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.888 -5.741 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.511 -4.821 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.054 -6.486 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.967 -5.687 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.977 -4.131 -1.418 1.00 0.00 H new ATOM 251 N PRO A 19 -8.789 -7.907 -2.780 1.00 0.00 N ATOM 252 CA PRO A 19 -8.446 -9.303 -2.991 1.00 0.00 C ATOM 253 C PRO A 19 -7.148 -9.665 -2.267 1.00 0.00 C ATOM 254 O PRO A 19 -6.979 -10.797 -1.815 1.00 0.00 O ATOM 255 CB PRO A 19 -8.348 -9.461 -4.500 1.00 0.00 C ATOM 256 CG PRO A 19 -8.180 -8.056 -5.056 1.00 0.00 C ATOM 257 CD PRO A 19 -8.527 -7.073 -3.949 1.00 0.00 C ATOM 0 HA PRO A 19 -9.190 -9.985 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.502 -10.093 -4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.243 -9.936 -4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.157 -7.900 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.830 -7.906 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.707 -6.379 -3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.399 -6.474 -4.211 1.00 0.00 H new ATOM 265 N LEU A 20 -6.264 -8.682 -2.178 1.00 0.00 N ATOM 266 CA LEU A 20 -4.986 -8.882 -1.516 1.00 0.00 C ATOM 267 C LEU A 20 -5.225 -9.183 -0.035 1.00 0.00 C ATOM 268 O LEU A 20 -4.835 -10.239 0.459 1.00 0.00 O ATOM 269 CB LEU A 20 -4.063 -7.687 -1.760 1.00 0.00 C ATOM 270 CG LEU A 20 -2.932 -7.495 -0.747 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.367 -6.568 0.390 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.427 -8.842 -0.227 1.00 0.00 C ATOM 0 H LEU A 20 -6.408 -7.745 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.470 -9.745 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.622 -7.790 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.670 -6.781 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.097 -7.013 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.545 -6.448 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.640 -5.595 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.226 -7.000 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.624 -8.677 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.245 -9.374 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.052 -9.436 -1.060 1.00 0.00 H new ATOM 284 N THR A 21 -5.865 -8.234 0.632 1.00 0.00 N ATOM 285 CA THR A 21 -6.161 -8.383 2.047 1.00 0.00 C ATOM 286 C THR A 21 -6.845 -9.726 2.309 1.00 0.00 C ATOM 287 O THR A 21 -6.420 -10.483 3.181 1.00 0.00 O ATOM 288 CB THR A 21 -6.998 -7.179 2.484 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.068 -6.100 2.507 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.472 -7.292 3.935 1.00 0.00 C ATOM 0 H THR A 21 -6.187 -7.359 0.219 1.00 0.00 H new ATOM 0 HA THR A 21 -5.249 -8.396 2.643 1.00 0.00 H new ATOM 0 HB THR A 21 -7.861 -7.079 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.221 -5.520 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.061 -6.413 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.085 -8.186 4.049 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.608 -7.358 4.596 1.00 0.00 H new ATOM 298 N ALA A 22 -7.893 -9.981 1.540 1.00 0.00 N ATOM 299 CA ALA A 22 -8.640 -11.219 1.678 1.00 0.00 C ATOM 300 C ALA A 22 -7.668 -12.400 1.669 1.00 0.00 C ATOM 301 O ALA A 22 -7.857 -13.371 2.400 1.00 0.00 O ATOM 302 CB ALA A 22 -9.684 -11.314 0.564 1.00 0.00 C ATOM 0 H ALA A 22 -8.243 -9.350 0.819 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.175 -11.240 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.244 -12.243 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.368 -10.468 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.185 -11.298 -0.405 1.00 0.00 H new ATOM 308 N CYS A 23 -6.648 -12.279 0.832 1.00 0.00 N ATOM 309 CA CYS A 23 -5.646 -13.324 0.717 1.00 0.00 C ATOM 310 C CYS A 23 -4.876 -13.399 2.037 1.00 0.00 C ATOM 311 O CYS A 23 -4.754 -14.470 2.629 1.00 0.00 O ATOM 312 CB CYS A 23 -4.714 -13.087 -0.474 1.00 0.00 C ATOM 313 SG CYS A 23 -4.040 -14.608 -1.236 1.00 0.00 S ATOM 0 H CYS A 23 -6.494 -11.472 0.227 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.135 -14.280 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.256 -12.526 -1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.883 -12.462 -0.148 1.00 0.00 H new ATOM 318 N LYS A 24 -4.377 -12.247 2.460 1.00 0.00 N ATOM 319 CA LYS A 24 -3.623 -12.168 3.700 1.00 0.00 C ATOM 320 C LYS A 24 -4.489 -12.679 4.852 1.00 0.00 C ATOM 321 O LYS A 24 -4.031 -13.471 5.675 1.00 0.00 O ATOM 322 CB LYS A 24 -3.089 -10.750 3.913 1.00 0.00 C ATOM 323 CG LYS A 24 -1.605 -10.662 3.551 1.00 0.00 C ATOM 324 CD LYS A 24 -1.121 -9.211 3.568 1.00 0.00 C ATOM 325 CE LYS A 24 -0.273 -8.931 4.810 1.00 0.00 C ATOM 326 NZ LYS A 24 -1.074 -8.230 5.838 1.00 0.00 N ATOM 0 H LYS A 24 -4.480 -11.360 1.966 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.744 -12.811 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.658 -10.048 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.231 -10.457 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.020 -11.253 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.442 -11.092 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.536 -9.008 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.978 -8.538 3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.109 -9.868 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.591 -8.325 4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.483 -8.048 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.418 -7.327 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.885 -8.822 6.110 1.00 0.00 H new ATOM 340 N GLU A 25 -5.726 -12.206 4.875 1.00 0.00 N ATOM 341 CA GLU A 25 -6.661 -12.605 5.914 1.00 0.00 C ATOM 342 C GLU A 25 -6.801 -14.128 5.945 1.00 0.00 C ATOM 343 O GLU A 25 -6.394 -14.772 6.910 1.00 0.00 O ATOM 344 CB GLU A 25 -8.022 -11.933 5.714 1.00 0.00 C ATOM 345 CG GLU A 25 -8.363 -11.024 6.896 1.00 0.00 C ATOM 346 CD GLU A 25 -9.246 -11.752 7.911 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.102 -12.541 7.455 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.047 -11.503 9.120 1.00 0.00 O ATOM 0 H GLU A 25 -6.103 -11.550 4.191 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.268 -12.276 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.012 -11.350 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.794 -12.694 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.445 -10.691 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.876 -10.132 6.537 1.00 0.00 H new ATOM 355 N LYS A 26 -7.378 -14.659 4.877 1.00 0.00 N ATOM 356 CA LYS A 26 -7.577 -16.095 4.770 1.00 0.00 C ATOM 357 C LYS A 26 -6.350 -16.818 5.329 1.00 0.00 C ATOM 358 O LYS A 26 -6.479 -17.848 5.988 1.00 0.00 O ATOM 359 CB LYS A 26 -7.917 -16.483 3.330 1.00 0.00 C ATOM 360 CG LYS A 26 -8.740 -17.772 3.289 1.00 0.00 C ATOM 361 CD LYS A 26 -7.904 -18.940 2.764 1.00 0.00 C ATOM 362 CE LYS A 26 -8.800 -20.078 2.270 1.00 0.00 C ATOM 363 NZ LYS A 26 -7.987 -21.139 1.633 1.00 0.00 N ATOM 0 H LYS A 26 -7.714 -14.121 4.078 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.432 -16.407 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.474 -15.676 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.998 -16.616 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.109 -18.004 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.613 -17.630 2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.264 -18.597 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.248 -19.306 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.362 -20.495 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.528 -19.692 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.610 -21.903 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.470 -20.741 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.309 -21.519 2.324 1.00 0.00 H new ATOM 377 N CYS A 27 -5.187 -16.250 5.044 1.00 0.00 N ATOM 378 CA CYS A 27 -3.938 -16.828 5.509 1.00 0.00 C ATOM 379 C CYS A 27 -3.874 -16.673 7.030 1.00 0.00 C ATOM 380 O CYS A 27 -3.788 -17.662 7.755 1.00 0.00 O ATOM 381 CB CYS A 27 -2.729 -16.192 4.819 1.00 0.00 C ATOM 382 SG CYS A 27 -2.664 -16.436 3.007 1.00 0.00 S ATOM 0 H CYS A 27 -5.084 -15.395 4.497 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.906 -17.887 5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.730 -15.122 5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.820 -16.601 5.260 1.00 0.00 H new ATOM 387 N ALA A 28 -3.919 -15.423 7.468 1.00 0.00 N ATOM 388 CA ALA A 28 -3.867 -15.126 8.889 1.00 0.00 C ATOM 389 C ALA A 28 -4.747 -16.122 9.646 1.00 0.00 C ATOM 390 O ALA A 28 -4.321 -16.696 10.648 1.00 0.00 O ATOM 391 CB ALA A 28 -4.294 -13.675 9.123 1.00 0.00 C ATOM 0 H ALA A 28 -3.991 -14.605 6.864 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.850 -15.232 9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.255 -13.452 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.620 -13.006 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.312 -13.532 8.759 1.00 0.00 H new ATOM 397 N GLU A 29 -5.958 -16.298 9.139 1.00 0.00 N ATOM 398 CA GLU A 29 -6.901 -17.215 9.755 1.00 0.00 C ATOM 399 C GLU A 29 -6.297 -18.618 9.845 1.00 0.00 C ATOM 400 O GLU A 29 -6.250 -19.210 10.922 1.00 0.00 O ATOM 401 CB GLU A 29 -8.226 -17.236 8.989 1.00 0.00 C ATOM 402 CG GLU A 29 -9.146 -16.106 9.454 1.00 0.00 C ATOM 403 CD GLU A 29 -9.495 -16.258 10.936 1.00 0.00 C ATOM 404 OE1 GLU A 29 -9.738 -17.413 11.347 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.510 -15.215 11.625 1.00 0.00 O ATOM 0 H GLU A 29 -6.308 -15.821 8.308 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.109 -16.865 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.034 -17.137 7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.720 -18.196 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.660 -15.145 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.060 -16.108 8.859 1.00 0.00 H new ATOM 412 N SER A 30 -5.850 -19.109 8.698 1.00 0.00 N ATOM 413 CA SER A 30 -5.250 -20.431 8.633 1.00 0.00 C ATOM 414 C SER A 30 -3.953 -20.457 9.443 1.00 0.00 C ATOM 415 O SER A 30 -3.472 -21.526 9.817 1.00 0.00 O ATOM 416 CB SER A 30 -4.980 -20.842 7.185 1.00 0.00 C ATOM 417 OG SER A 30 -5.408 -22.175 6.920 1.00 0.00 O ATOM 0 H SER A 30 -5.891 -18.615 7.807 1.00 0.00 H new ATOM 0 HA SER A 30 -5.952 -21.147 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.493 -20.156 6.512 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.914 -20.755 6.976 1.00 0.00 H new ATOM 0 HG SER A 30 -5.220 -22.399 5.985 1.00 0.00 H new ATOM 423 N CYS A 31 -3.423 -19.268 9.691 1.00 0.00 N ATOM 424 CA CYS A 31 -2.190 -19.142 10.450 1.00 0.00 C ATOM 425 C CYS A 31 -2.486 -18.336 11.716 1.00 0.00 C ATOM 426 O CYS A 31 -1.895 -17.280 11.937 1.00 0.00 O ATOM 427 CB CYS A 31 -1.075 -18.507 9.617 1.00 0.00 C ATOM 428 SG CYS A 31 -0.510 -19.513 8.196 1.00 0.00 S ATOM 0 H CYS A 31 -3.825 -18.384 9.380 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.828 -20.132 10.727 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.422 -17.543 9.246 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.222 -18.310 10.267 1.00 0.00 H new ATOM 433 N GLU A 32 -3.401 -18.865 12.515 1.00 0.00 N ATOM 434 CA GLU A 32 -3.783 -18.207 13.754 1.00 0.00 C ATOM 435 C GLU A 32 -2.997 -18.791 14.929 1.00 0.00 C ATOM 436 O GLU A 32 -2.268 -18.072 15.611 1.00 0.00 O ATOM 437 CB GLU A 32 -5.290 -18.320 13.992 1.00 0.00 C ATOM 438 CG GLU A 32 -5.979 -16.967 13.802 1.00 0.00 C ATOM 439 CD GLU A 32 -7.393 -16.985 14.385 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.026 -18.060 14.307 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.810 -15.923 14.896 1.00 0.00 O ATOM 0 H GLU A 32 -3.889 -19.741 12.329 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.540 -17.148 13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.717 -19.049 13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.476 -18.688 15.001 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.393 -16.185 14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.023 -16.723 12.741 1.00 0.00 H new ATOM 448 N THR A 33 -3.170 -20.089 15.129 1.00 0.00 N ATOM 449 CA THR A 33 -2.486 -20.778 16.210 1.00 0.00 C ATOM 450 C THR A 33 -1.027 -21.044 15.834 1.00 0.00 C ATOM 451 O THR A 33 -0.240 -21.495 16.664 1.00 0.00 O ATOM 452 CB THR A 33 -3.271 -22.051 16.532 1.00 0.00 C ATOM 453 OG1 THR A 33 -2.717 -22.497 17.767 1.00 0.00 O ATOM 454 CG2 THR A 33 -2.969 -23.189 15.555 1.00 0.00 C ATOM 0 H THR A 33 -3.774 -20.682 14.560 1.00 0.00 H new ATOM 0 HA THR A 33 -2.451 -20.164 17.110 1.00 0.00 H new ATOM 0 HB THR A 33 -4.339 -21.833 16.515 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.742 -22.398 17.743 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.552 -24.068 15.829 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.232 -22.880 14.544 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.907 -23.431 15.595 1.00 0.00 H new ATOM 462 N SER A 34 -0.710 -20.752 14.581 1.00 0.00 N ATOM 463 CA SER A 34 0.641 -20.954 14.084 1.00 0.00 C ATOM 464 C SER A 34 1.614 -20.037 14.828 1.00 0.00 C ATOM 465 O SER A 34 1.532 -18.815 14.715 1.00 0.00 O ATOM 466 CB SER A 34 0.718 -20.698 12.577 1.00 0.00 C ATOM 467 OG SER A 34 0.698 -21.910 11.829 1.00 0.00 O ATOM 0 H SER A 34 -1.365 -20.377 13.895 1.00 0.00 H new ATOM 0 HA SER A 34 0.920 -21.992 14.263 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.119 -20.070 12.273 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.630 -20.146 12.349 1.00 0.00 H new ATOM 0 HG SER A 34 0.142 -21.793 11.031 1.00 0.00 H new ATOM 473 N ALA A 35 2.514 -20.663 15.573 1.00 0.00 N ATOM 474 CA ALA A 35 3.502 -19.919 16.336 1.00 0.00 C ATOM 475 C ALA A 35 4.033 -18.764 15.484 1.00 0.00 C ATOM 476 O ALA A 35 3.780 -17.598 15.785 1.00 0.00 O ATOM 477 CB ALA A 35 4.614 -20.866 16.792 1.00 0.00 C ATOM 0 H ALA A 35 2.579 -21.677 15.664 1.00 0.00 H new ATOM 0 HA ALA A 35 3.052 -19.489 17.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.355 -20.308 17.364 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.189 -21.652 17.417 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.091 -21.314 15.920 1.00 0.00 H new ATOM 483 N ASP A 36 4.760 -19.128 14.438 1.00 0.00 N ATOM 484 CA ASP A 36 5.329 -18.136 13.541 1.00 0.00 C ATOM 485 C ASP A 36 4.260 -17.685 12.543 1.00 0.00 C ATOM 486 O ASP A 36 4.198 -18.190 11.423 1.00 0.00 O ATOM 487 CB ASP A 36 6.500 -18.719 12.748 1.00 0.00 C ATOM 488 CG ASP A 36 7.392 -19.686 13.528 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.331 -19.187 14.186 1.00 0.00 O ATOM 490 OD2 ASP A 36 7.116 -20.903 13.450 1.00 0.00 O ATOM 0 H ASP A 36 4.968 -20.096 14.191 1.00 0.00 H new ATOM 0 HA ASP A 36 5.682 -17.299 14.143 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.105 -19.237 11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.115 -17.898 12.380 1.00 0.00 H new ATOM 495 N LYS A 37 3.446 -16.738 12.985 1.00 0.00 N ATOM 496 CA LYS A 37 2.383 -16.213 12.145 1.00 0.00 C ATOM 497 C LYS A 37 2.997 -15.418 10.991 1.00 0.00 C ATOM 498 O LYS A 37 2.680 -15.660 9.828 1.00 0.00 O ATOM 499 CB LYS A 37 1.385 -15.410 12.983 1.00 0.00 C ATOM 500 CG LYS A 37 0.488 -16.338 13.804 1.00 0.00 C ATOM 501 CD LYS A 37 -0.946 -15.806 13.860 1.00 0.00 C ATOM 502 CE LYS A 37 -1.089 -14.727 14.935 1.00 0.00 C ATOM 503 NZ LYS A 37 -1.211 -15.343 16.275 1.00 0.00 N ATOM 0 H LYS A 37 3.501 -16.321 13.914 1.00 0.00 H new ATOM 0 HA LYS A 37 1.810 -17.027 11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.923 -14.736 13.649 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.772 -14.790 12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.493 -17.336 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.885 -16.432 14.815 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.224 -15.396 12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.634 -16.625 14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.224 -14.064 14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.966 -14.114 14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.880 -14.793 16.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.558 -16.319 16.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.280 -15.351 16.739 1.00 0.00 H new ATOM 517 N LYS A 38 3.865 -14.484 11.354 1.00 0.00 N ATOM 518 CA LYS A 38 4.526 -13.652 10.363 1.00 0.00 C ATOM 519 C LYS A 38 5.013 -14.531 9.208 1.00 0.00 C ATOM 520 O LYS A 38 4.730 -14.246 8.046 1.00 0.00 O ATOM 521 CB LYS A 38 5.634 -12.822 11.014 1.00 0.00 C ATOM 522 CG LYS A 38 5.724 -11.433 10.379 1.00 0.00 C ATOM 523 CD LYS A 38 6.390 -10.438 11.330 1.00 0.00 C ATOM 524 CE LYS A 38 7.712 -9.927 10.752 1.00 0.00 C ATOM 525 NZ LYS A 38 8.809 -10.875 11.050 1.00 0.00 N ATOM 0 H LYS A 38 4.125 -14.286 12.320 1.00 0.00 H new ATOM 0 HA LYS A 38 3.825 -12.931 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.441 -12.725 12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.589 -13.337 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.292 -11.490 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.725 -11.082 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.719 -9.598 11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.570 -10.915 12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.618 -9.797 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.945 -8.948 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.699 -10.513 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.908 -10.978 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.592 -11.801 10.629 1.00 0.00 H new ATOM 539 N THR A 39 5.736 -15.580 9.570 1.00 0.00 N ATOM 540 CA THR A 39 6.265 -16.502 8.579 1.00 0.00 C ATOM 541 C THR A 39 5.128 -17.284 7.918 1.00 0.00 C ATOM 542 O THR A 39 4.964 -17.239 6.700 1.00 0.00 O ATOM 543 CB THR A 39 7.297 -17.396 9.268 1.00 0.00 C ATOM 544 OG1 THR A 39 8.295 -16.486 9.723 1.00 0.00 O ATOM 545 CG2 THR A 39 8.040 -18.300 8.282 1.00 0.00 C ATOM 0 H THR A 39 5.968 -15.812 10.536 1.00 0.00 H new ATOM 0 HA THR A 39 6.764 -15.969 7.770 1.00 0.00 H new ATOM 0 HB THR A 39 6.801 -18.009 10.020 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.004 -16.981 10.184 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.760 -18.914 8.823 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.326 -18.945 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.564 -17.686 7.549 1.00 0.00 H new ATOM 553 N CYS A 40 4.372 -17.984 8.751 1.00 0.00 N ATOM 554 CA CYS A 40 3.255 -18.775 8.263 1.00 0.00 C ATOM 555 C CYS A 40 2.521 -17.962 7.195 1.00 0.00 C ATOM 556 O CYS A 40 2.338 -18.428 6.071 1.00 0.00 O ATOM 557 CB CYS A 40 2.322 -19.198 9.399 1.00 0.00 C ATOM 558 SG CYS A 40 1.100 -20.484 8.950 1.00 0.00 S ATOM 0 H CYS A 40 4.511 -18.020 9.761 1.00 0.00 H new ATOM 0 HA CYS A 40 3.627 -19.700 7.823 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.926 -19.565 10.229 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.788 -18.318 9.758 1.00 0.00 H new ATOM 563 N ARG A 41 2.119 -16.760 7.583 1.00 0.00 N ATOM 564 CA ARG A 41 1.409 -15.878 6.673 1.00 0.00 C ATOM 565 C ARG A 41 2.266 -15.586 5.440 1.00 0.00 C ATOM 566 O ARG A 41 1.826 -15.793 4.310 1.00 0.00 O ATOM 567 CB ARG A 41 1.045 -14.559 7.357 1.00 0.00 C ATOM 568 CG ARG A 41 -0.116 -14.750 8.335 1.00 0.00 C ATOM 569 CD ARG A 41 -0.595 -13.406 8.887 1.00 0.00 C ATOM 570 NE ARG A 41 0.207 -13.031 10.073 1.00 0.00 N ATOM 571 CZ ARG A 41 0.070 -11.876 10.738 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.837 -10.975 10.336 1.00 0.00 N ATOM 573 NH2 ARG A 41 0.841 -11.621 11.804 1.00 0.00 N ATOM 0 H ARG A 41 2.272 -16.377 8.516 1.00 0.00 H new ATOM 0 HA ARG A 41 0.491 -16.383 6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.913 -14.170 7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.773 -13.818 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.941 -15.255 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.198 -15.393 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.507 -12.636 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.649 -13.469 9.156 1.00 0.00 H new ATOM 0 HE ARG A 41 0.908 -13.693 10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.423 -11.169 9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.941 -10.096 10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.532 -12.306 12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.737 -10.742 12.310 1.00 0.00 H new ATOM 587 N ARG A 42 3.475 -15.109 5.698 1.00 0.00 N ATOM 588 CA ARG A 42 4.398 -14.787 4.624 1.00 0.00 C ATOM 589 C ARG A 42 4.374 -15.883 3.557 1.00 0.00 C ATOM 590 O ARG A 42 4.077 -15.616 2.393 1.00 0.00 O ATOM 591 CB ARG A 42 5.825 -14.629 5.152 1.00 0.00 C ATOM 592 CG ARG A 42 6.371 -13.233 4.847 1.00 0.00 C ATOM 593 CD ARG A 42 6.401 -12.368 6.108 1.00 0.00 C ATOM 594 NE ARG A 42 6.285 -10.938 5.745 1.00 0.00 N ATOM 595 CZ ARG A 42 5.141 -10.349 5.369 1.00 0.00 C ATOM 596 NH1 ARG A 42 4.009 -11.063 5.305 1.00 0.00 N ATOM 597 NH2 ARG A 42 5.130 -9.046 5.057 1.00 0.00 N ATOM 0 H ARG A 42 3.837 -14.938 6.636 1.00 0.00 H new ATOM 0 HA ARG A 42 4.079 -13.841 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.840 -14.802 6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.470 -15.382 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.376 -13.314 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.752 -12.754 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.584 -12.650 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.329 -12.539 6.654 1.00 0.00 H new ATOM 0 HE ARG A 42 7.128 -10.365 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.018 -12.055 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.139 -10.615 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.992 -8.503 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.260 -8.597 4.771 1.00 0.00 H new ATOM 611 N ASN A 43 4.691 -17.094 3.991 1.00 0.00 N ATOM 612 CA ASN A 43 4.710 -18.232 3.088 1.00 0.00 C ATOM 613 C ASN A 43 3.373 -18.314 2.349 1.00 0.00 C ATOM 614 O ASN A 43 3.321 -18.738 1.196 1.00 0.00 O ATOM 615 CB ASN A 43 4.908 -19.541 3.855 1.00 0.00 C ATOM 616 CG ASN A 43 5.752 -20.528 3.046 1.00 0.00 C ATOM 617 OD1 ASN A 43 5.572 -20.706 1.853 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.680 -21.158 3.761 1.00 0.00 N ATOM 0 H ASN A 43 4.937 -17.312 4.957 1.00 0.00 H new ATOM 0 HA ASN A 43 5.536 -18.095 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.394 -19.338 4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.938 -19.985 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.295 -21.838 3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.777 -20.961 4.757 1.00 0.00 H new ATOM 625 N CYS A 44 2.323 -17.901 3.045 1.00 0.00 N ATOM 626 CA CYS A 44 0.989 -17.922 2.469 1.00 0.00 C ATOM 627 C CYS A 44 0.867 -16.749 1.495 1.00 0.00 C ATOM 628 O CYS A 44 0.114 -16.819 0.525 1.00 0.00 O ATOM 629 CB CYS A 44 -0.094 -17.882 3.550 1.00 0.00 C ATOM 630 SG CYS A 44 -1.768 -18.347 2.976 1.00 0.00 S ATOM 0 H CYS A 44 2.369 -17.550 4.002 1.00 0.00 H new ATOM 0 HA CYS A 44 0.838 -18.857 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.196 -18.551 4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.135 -16.876 3.967 1.00 0.00 H new ATOM 635 N LYS A 45 1.618 -15.698 1.788 1.00 0.00 N ATOM 636 CA LYS A 45 1.604 -14.511 0.950 1.00 0.00 C ATOM 637 C LYS A 45 2.211 -14.847 -0.414 1.00 0.00 C ATOM 638 O LYS A 45 1.845 -14.249 -1.424 1.00 0.00 O ATOM 639 CB LYS A 45 2.295 -13.345 1.660 1.00 0.00 C ATOM 640 CG LYS A 45 2.045 -12.028 0.923 1.00 0.00 C ATOM 641 CD LYS A 45 3.186 -11.719 -0.049 1.00 0.00 C ATOM 642 CE LYS A 45 4.260 -10.860 0.621 1.00 0.00 C ATOM 643 NZ LYS A 45 5.503 -11.640 0.811 1.00 0.00 N ATOM 0 H LYS A 45 2.240 -15.644 2.594 1.00 0.00 H new ATOM 0 HA LYS A 45 0.580 -14.183 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.927 -13.269 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.367 -13.535 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.103 -12.085 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.947 -11.216 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.629 -12.650 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.793 -11.200 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.465 -9.981 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.898 -10.501 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.222 -11.042 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.306 -12.465 1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.856 -11.962 -0.113 1.00 0.00 H new ATOM 657 N LYS A 46 3.128 -15.803 -0.398 1.00 0.00 N ATOM 658 CA LYS A 46 3.789 -16.226 -1.621 1.00 0.00 C ATOM 659 C LYS A 46 3.004 -17.379 -2.248 1.00 0.00 C ATOM 660 O LYS A 46 3.223 -17.727 -3.407 1.00 0.00 O ATOM 661 CB LYS A 46 5.258 -16.559 -1.348 1.00 0.00 C ATOM 662 CG LYS A 46 6.074 -15.286 -1.114 1.00 0.00 C ATOM 663 CD LYS A 46 6.605 -14.725 -2.435 1.00 0.00 C ATOM 664 CE LYS A 46 7.866 -15.469 -2.879 1.00 0.00 C ATOM 665 NZ LYS A 46 9.068 -14.868 -2.259 1.00 0.00 N ATOM 0 H LYS A 46 3.429 -16.297 0.442 1.00 0.00 H new ATOM 0 HA LYS A 46 3.799 -15.414 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.331 -17.208 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.672 -17.111 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.454 -14.538 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.907 -15.502 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.838 -14.810 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.826 -13.664 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.793 -16.520 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.953 -15.433 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.915 -15.385 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.145 -13.871 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.990 -14.925 -1.224 1.00 0.00 H new ATOM 679 N ALA A 47 2.104 -17.940 -1.453 1.00 0.00 N ATOM 680 CA ALA A 47 1.284 -19.047 -1.916 1.00 0.00 C ATOM 681 C ALA A 47 0.499 -18.612 -3.155 1.00 0.00 C ATOM 682 O ALA A 47 0.654 -19.194 -4.228 1.00 0.00 O ATOM 683 CB ALA A 47 0.370 -19.515 -0.782 1.00 0.00 C ATOM 0 H ALA A 47 1.925 -17.649 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 47 1.909 -19.893 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.245 -20.345 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.976 -19.841 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.274 -18.692 -0.470 1.00 0.00 H new ATOM 689 N ASP A 48 -0.326 -17.593 -2.966 1.00 0.00 N ATOM 690 CA ASP A 48 -1.135 -17.073 -4.056 1.00 0.00 C ATOM 691 C ASP A 48 -1.568 -15.643 -3.726 1.00 0.00 C ATOM 692 O ASP A 48 -2.751 -15.316 -3.801 1.00 0.00 O ATOM 693 CB ASP A 48 -2.397 -17.915 -4.254 1.00 0.00 C ATOM 694 CG ASP A 48 -2.938 -17.942 -5.685 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.130 -18.240 -6.592 1.00 0.00 O ATOM 696 OD2 ASP A 48 -4.146 -17.663 -5.841 1.00 0.00 O ATOM 0 H ASP A 48 -0.452 -17.113 -2.075 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.535 -17.102 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.186 -18.938 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.177 -17.535 -3.594 1.00 0.00 H new ATOM 701 N CYS A 49 -0.585 -14.829 -3.369 1.00 0.00 N ATOM 702 CA CYS A 49 -0.849 -13.442 -3.029 1.00 0.00 C ATOM 703 C CYS A 49 0.391 -12.617 -3.377 1.00 0.00 C ATOM 704 O CYS A 49 0.682 -11.619 -2.720 1.00 0.00 O ATOM 705 CB CYS A 49 -1.244 -13.286 -1.559 1.00 0.00 C ATOM 706 SG CYS A 49 -2.102 -14.732 -0.837 1.00 0.00 S ATOM 0 H CYS A 49 0.395 -15.104 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.699 -13.079 -3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.346 -13.086 -0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.889 -12.413 -1.461 1.00 0.00 H new ATOM 711 N GLU A 50 1.089 -13.064 -4.411 1.00 0.00 N ATOM 712 CA GLU A 50 2.291 -12.380 -4.854 1.00 0.00 C ATOM 713 C GLU A 50 1.925 -11.137 -5.669 1.00 0.00 C ATOM 714 O GLU A 50 2.449 -10.052 -5.422 1.00 0.00 O ATOM 715 CB GLU A 50 3.191 -13.319 -5.661 1.00 0.00 C ATOM 716 CG GLU A 50 4.362 -13.818 -4.814 1.00 0.00 C ATOM 717 CD GLU A 50 5.689 -13.250 -5.323 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.679 -12.071 -5.737 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.682 -14.008 -5.286 1.00 0.00 O ATOM 0 H GLU A 50 0.844 -13.892 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 50 2.850 -12.062 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.609 -14.168 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.570 -12.799 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.213 -13.527 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.395 -14.907 -4.839 1.00 0.00 H new ATOM 726 N PRO A 51 1.005 -11.343 -6.649 1.00 0.00 N ATOM 727 CA PRO A 51 0.562 -10.253 -7.501 1.00 0.00 C ATOM 728 C PRO A 51 -0.394 -9.323 -6.750 1.00 0.00 C ATOM 729 O PRO A 51 -0.528 -8.152 -7.100 1.00 0.00 O ATOM 730 CB PRO A 51 -0.084 -10.928 -8.700 1.00 0.00 C ATOM 731 CG PRO A 51 -0.396 -12.349 -8.260 1.00 0.00 C ATOM 732 CD PRO A 51 0.363 -12.615 -6.970 1.00 0.00 C ATOM 0 HA PRO A 51 1.381 -9.608 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.991 -10.404 -9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.587 -10.924 -9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.468 -12.474 -8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.100 -13.061 -9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.310 -12.931 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.099 -13.408 -7.100 1.00 0.00 H new ATOM 740 N GLN A 52 -1.033 -9.881 -5.733 1.00 0.00 N ATOM 741 CA GLN A 52 -1.973 -9.117 -4.930 1.00 0.00 C ATOM 742 C GLN A 52 -1.222 -8.194 -3.969 1.00 0.00 C ATOM 743 O GLN A 52 -1.437 -6.983 -3.970 1.00 0.00 O ATOM 744 CB GLN A 52 -2.924 -10.043 -4.170 1.00 0.00 C ATOM 745 CG GLN A 52 -3.421 -11.177 -5.069 1.00 0.00 C ATOM 746 CD GLN A 52 -4.491 -12.010 -4.360 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.904 -11.722 -3.249 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.915 -13.057 -5.063 1.00 0.00 N ATOM 0 H GLN A 52 -0.919 -10.853 -5.446 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.575 -8.501 -5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.414 -10.460 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.774 -9.471 -3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.829 -10.763 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.584 -11.816 -5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.527 -13.241 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.628 -13.676 -4.677 1.00 0.00 H new ATOM 757 N ASP A 53 -0.355 -8.802 -3.171 1.00 0.00 N ATOM 758 CA ASP A 53 0.429 -8.049 -2.207 1.00 0.00 C ATOM 759 C ASP A 53 1.151 -6.906 -2.924 1.00 0.00 C ATOM 760 O ASP A 53 1.405 -5.859 -2.331 1.00 0.00 O ATOM 761 CB ASP A 53 1.486 -8.935 -1.545 1.00 0.00 C ATOM 762 CG ASP A 53 2.024 -8.414 -0.211 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.277 -8.525 0.784 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.171 -7.916 -0.217 1.00 0.00 O ATOM 0 H ASP A 53 -0.179 -9.807 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.250 -7.667 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.060 -9.926 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.322 -9.055 -2.235 1.00 0.00 H new ATOM 769 N LYS A 54 1.461 -7.147 -4.189 1.00 0.00 N ATOM 770 CA LYS A 54 2.149 -6.151 -4.993 1.00 0.00 C ATOM 771 C LYS A 54 1.186 -5.005 -5.311 1.00 0.00 C ATOM 772 O LYS A 54 1.400 -3.873 -4.881 1.00 0.00 O ATOM 773 CB LYS A 54 2.767 -6.798 -6.234 1.00 0.00 C ATOM 774 CG LYS A 54 4.081 -7.502 -5.889 1.00 0.00 C ATOM 775 CD LYS A 54 4.842 -7.894 -7.158 1.00 0.00 C ATOM 776 CE LYS A 54 6.227 -7.246 -7.188 1.00 0.00 C ATOM 777 NZ LYS A 54 6.175 -5.946 -7.894 1.00 0.00 N ATOM 0 H LYS A 54 1.249 -8.017 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 54 2.983 -5.722 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.067 -7.516 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.946 -6.037 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.700 -6.845 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.876 -8.392 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.943 -8.978 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.274 -7.588 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.589 -7.100 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.935 -7.909 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.123 -5.519 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.850 -6.094 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.515 -5.310 -7.402 1.00 0.00 H new ATOM 791 N VAL A 55 0.147 -5.339 -6.062 1.00 0.00 N ATOM 792 CA VAL A 55 -0.849 -4.352 -6.443 1.00 0.00 C ATOM 793 C VAL A 55 -1.144 -3.444 -5.248 1.00 0.00 C ATOM 794 O VAL A 55 -1.417 -2.257 -5.418 1.00 0.00 O ATOM 795 CB VAL A 55 -2.097 -5.051 -6.985 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.215 -4.042 -7.259 1.00 0.00 C ATOM 797 CG2 VAL A 55 -1.770 -5.862 -8.241 1.00 0.00 C ATOM 0 H VAL A 55 -0.027 -6.279 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.472 -3.719 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.451 -5.744 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.091 -4.565 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.476 -3.528 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.875 -3.313 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.675 -6.349 -8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.380 -5.197 -9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.023 -6.618 -8.001 1.00 0.00 H new ATOM 807 N CYS A 56 -1.079 -4.037 -4.065 1.00 0.00 N ATOM 808 CA CYS A 56 -1.335 -3.296 -2.841 1.00 0.00 C ATOM 809 C CYS A 56 -0.320 -2.156 -2.748 1.00 0.00 C ATOM 810 O CYS A 56 -0.697 -0.993 -2.611 1.00 0.00 O ATOM 811 CB CYS A 56 -1.289 -4.203 -1.610 1.00 0.00 C ATOM 812 SG CYS A 56 -2.426 -3.723 -0.259 1.00 0.00 S ATOM 0 H CYS A 56 -0.853 -5.022 -3.928 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.343 -2.882 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.523 -5.222 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.270 -4.214 -1.222 1.00 0.00 H new ATOM 817 N ASP A 57 0.949 -2.528 -2.826 1.00 0.00 N ATOM 818 CA ASP A 57 2.022 -1.551 -2.753 1.00 0.00 C ATOM 819 C ASP A 57 1.748 -0.422 -3.749 1.00 0.00 C ATOM 820 O ASP A 57 1.928 0.751 -3.427 1.00 0.00 O ATOM 821 CB ASP A 57 3.368 -2.183 -3.113 1.00 0.00 C ATOM 822 CG ASP A 57 4.574 -1.605 -2.370 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.362 -1.116 -1.239 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.680 -1.665 -2.949 1.00 0.00 O ATOM 0 H ASP A 57 1.258 -3.493 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 57 2.063 -1.172 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.315 -3.253 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.531 -2.068 -4.185 1.00 0.00 H new ATOM 829 N ALA A 58 1.316 -0.817 -4.937 1.00 0.00 N ATOM 830 CA ALA A 58 1.015 0.146 -5.982 1.00 0.00 C ATOM 831 C ALA A 58 0.077 1.220 -5.425 1.00 0.00 C ATOM 832 O ALA A 58 0.310 2.412 -5.615 1.00 0.00 O ATOM 833 CB ALA A 58 0.418 -0.579 -7.190 1.00 0.00 C ATOM 0 H ALA A 58 1.167 -1.791 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 58 1.925 0.644 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.192 0.144 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.134 -1.310 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.498 -1.089 -6.892 1.00 0.00 H new ATOM 839 N CYS A 59 -0.964 0.757 -4.748 1.00 0.00 N ATOM 840 CA CYS A 59 -1.937 1.663 -4.162 1.00 0.00 C ATOM 841 C CYS A 59 -1.191 2.663 -3.277 1.00 0.00 C ATOM 842 O CYS A 59 -1.300 3.873 -3.474 1.00 0.00 O ATOM 843 CB CYS A 59 -3.016 0.907 -3.384 1.00 0.00 C ATOM 844 SG CYS A 59 -4.126 1.965 -2.386 1.00 0.00 S ATOM 0 H CYS A 59 -1.155 -0.233 -4.592 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.460 2.200 -4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.619 0.335 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.531 0.188 -2.723 1.00 0.00 H new ATOM 849 N ARG A 60 -0.450 2.122 -2.322 1.00 0.00 N ATOM 850 CA ARG A 60 0.314 2.952 -1.407 1.00 0.00 C ATOM 851 C ARG A 60 1.311 3.817 -2.180 1.00 0.00 C ATOM 852 O ARG A 60 1.581 4.954 -1.796 1.00 0.00 O ATOM 853 CB ARG A 60 1.073 2.097 -0.390 1.00 0.00 C ATOM 854 CG ARG A 60 0.109 1.243 0.436 1.00 0.00 C ATOM 855 CD ARG A 60 0.865 0.415 1.477 1.00 0.00 C ATOM 856 NE ARG A 60 -0.088 -0.390 2.273 1.00 0.00 N ATOM 857 CZ ARG A 60 0.245 -1.079 3.373 1.00 0.00 C ATOM 858 NH1 ARG A 60 1.511 -1.067 3.813 1.00 0.00 N ATOM 859 NH2 ARG A 60 -0.687 -1.781 4.032 1.00 0.00 N ATOM 0 H ARG A 60 -0.362 1.118 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.390 3.591 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.782 1.452 -0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.652 2.741 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.616 1.886 0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.452 0.581 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.582 -0.240 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.435 1.073 2.133 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.060 -0.422 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.220 -0.534 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.765 -1.591 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.650 -1.791 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.433 -2.305 4.869 1.00 0.00 H new ATOM 873 N MET A 61 1.831 3.245 -3.257 1.00 0.00 N ATOM 874 CA MET A 61 2.792 3.950 -4.088 1.00 0.00 C ATOM 875 C MET A 61 2.155 5.177 -4.743 1.00 0.00 C ATOM 876 O MET A 61 2.710 6.274 -4.686 1.00 0.00 O ATOM 877 CB MET A 61 3.318 3.007 -5.172 1.00 0.00 C ATOM 878 CG MET A 61 3.913 3.794 -6.341 1.00 0.00 C ATOM 879 SD MET A 61 5.408 3.003 -6.911 1.00 0.00 S ATOM 880 CE MET A 61 4.708 1.640 -7.827 1.00 0.00 C ATOM 0 H MET A 61 1.605 2.302 -3.573 1.00 0.00 H new ATOM 0 HA MET A 61 3.614 4.285 -3.456 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.076 2.348 -4.749 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.508 2.372 -5.531 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.190 3.854 -7.155 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.128 4.816 -6.030 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.510 1.038 -8.254 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.108 1.023 -7.159 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.078 2.026 -8.629 1.00 0.00 H new ATOM 890 N LYS A 62 0.999 4.951 -5.350 1.00 0.00 N ATOM 891 CA LYS A 62 0.281 6.025 -6.015 1.00 0.00 C ATOM 892 C LYS A 62 -0.160 7.058 -4.976 1.00 0.00 C ATOM 893 O LYS A 62 -0.062 8.261 -5.212 1.00 0.00 O ATOM 894 CB LYS A 62 -0.871 5.462 -6.849 1.00 0.00 C ATOM 895 CG LYS A 62 -0.420 5.173 -8.282 1.00 0.00 C ATOM 896 CD LYS A 62 -0.325 3.667 -8.534 1.00 0.00 C ATOM 897 CE LYS A 62 1.073 3.280 -9.020 1.00 0.00 C ATOM 898 NZ LYS A 62 1.084 3.118 -10.491 1.00 0.00 N ATOM 0 H LYS A 62 0.542 4.040 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 62 0.933 6.540 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.244 4.547 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.698 6.172 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.123 5.619 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.549 5.637 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.558 3.126 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.067 3.371 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.791 4.046 -8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.386 2.351 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.040 2.855 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.413 2.371 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.806 4.014 -10.941 1.00 0.00 H new ATOM 912 N CYS A 63 -0.634 6.551 -3.848 1.00 0.00 N ATOM 913 CA CYS A 63 -1.090 7.414 -2.772 1.00 0.00 C ATOM 914 C CYS A 63 0.086 8.283 -2.322 1.00 0.00 C ATOM 915 O CYS A 63 -0.110 9.388 -1.818 1.00 0.00 O ATOM 916 CB CYS A 63 -1.681 6.610 -1.613 1.00 0.00 C ATOM 917 SG CYS A 63 -3.509 6.525 -1.591 1.00 0.00 S ATOM 0 H CYS A 63 -0.712 5.552 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.896 8.053 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.285 5.595 -1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.340 7.048 -0.675 1.00 0.00 H new ATOM 922 N HIS A 64 1.283 7.751 -2.521 1.00 0.00 N ATOM 923 CA HIS A 64 2.491 8.464 -2.143 1.00 0.00 C ATOM 924 C HIS A 64 2.603 9.754 -2.957 1.00 0.00 C ATOM 925 O HIS A 64 2.923 10.811 -2.414 1.00 0.00 O ATOM 926 CB HIS A 64 3.721 7.565 -2.286 1.00 0.00 C ATOM 927 CG HIS A 64 4.535 7.431 -1.021 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.917 7.491 -1.009 1.00 0.00 N ATOM 929 CD2 HIS A 64 4.146 7.241 0.273 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.332 7.342 0.240 1.00 0.00 C ATOM 931 NE2 HIS A 64 5.233 7.186 1.033 1.00 0.00 N ATOM 0 H HIS A 64 1.442 6.834 -2.939 1.00 0.00 H new ATOM 0 HA HIS A 64 2.437 8.743 -1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.399 6.574 -2.605 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.359 7.962 -3.076 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.127 7.151 0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.360 7.344 0.572 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.245 7.050 2.044 1.00 0.00 H new ATOM 939 N LYS A 65 2.331 9.627 -4.248 1.00 0.00 N ATOM 940 CA LYS A 65 2.397 10.769 -5.143 1.00 0.00 C ATOM 941 C LYS A 65 1.064 11.519 -5.105 1.00 0.00 C ATOM 942 O LYS A 65 1.033 12.743 -5.218 1.00 0.00 O ATOM 943 CB LYS A 65 2.813 10.326 -6.548 1.00 0.00 C ATOM 944 CG LYS A 65 4.295 10.614 -6.797 1.00 0.00 C ATOM 945 CD LYS A 65 4.985 9.412 -7.446 1.00 0.00 C ATOM 946 CE LYS A 65 5.853 9.851 -8.627 1.00 0.00 C ATOM 947 NZ LYS A 65 5.008 10.173 -9.799 1.00 0.00 N ATOM 0 H LYS A 65 2.064 8.750 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 65 3.166 11.467 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.621 9.260 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.208 10.845 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.396 11.488 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.786 10.854 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.601 8.899 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.235 8.698 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.445 10.723 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.555 9.058 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.612 10.469 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.462 9.332 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.355 10.945 -9.555 1.00 0.00 H new ATOM 961 N ALA A 66 -0.005 10.753 -4.944 1.00 0.00 N ATOM 962 CA ALA A 66 -1.338 11.329 -4.889 1.00 0.00 C ATOM 963 C ALA A 66 -1.498 12.108 -3.582 1.00 0.00 C ATOM 964 O ALA A 66 -2.274 13.060 -3.514 1.00 0.00 O ATOM 965 CB ALA A 66 -2.381 10.220 -5.039 1.00 0.00 C ATOM 0 H ALA A 66 0.025 9.738 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.488 12.029 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.381 10.653 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.242 9.717 -5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.264 9.499 -4.230 1.00 0.00 H new ATOM 971 N CYS A 67 -0.753 11.673 -2.576 1.00 0.00 N ATOM 972 CA CYS A 67 -0.803 12.318 -1.275 1.00 0.00 C ATOM 973 C CYS A 67 0.160 13.507 -1.290 1.00 0.00 C ATOM 974 O CYS A 67 0.082 14.384 -0.431 1.00 0.00 O ATOM 975 CB CYS A 67 -0.481 11.337 -0.146 1.00 0.00 C ATOM 976 SG CYS A 67 -0.557 12.052 1.537 1.00 0.00 S ATOM 0 H CYS A 67 -0.112 10.882 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.815 12.675 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.177 10.500 -0.202 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.518 10.933 -0.309 1.00 0.00 H new ATOM 981 N ARG A 68 1.045 13.498 -2.276 1.00 0.00 N ATOM 982 CA ARG A 68 2.022 14.565 -2.414 1.00 0.00 C ATOM 983 C ARG A 68 1.368 15.808 -3.021 1.00 0.00 C ATOM 984 O ARG A 68 1.732 16.933 -2.683 1.00 0.00 O ATOM 985 CB ARG A 68 3.192 14.129 -3.299 1.00 0.00 C ATOM 986 CG ARG A 68 4.318 15.165 -3.268 1.00 0.00 C ATOM 987 CD ARG A 68 4.177 16.163 -4.419 1.00 0.00 C ATOM 988 NE ARG A 68 5.382 16.121 -5.276 1.00 0.00 N ATOM 989 CZ ARG A 68 5.563 15.247 -6.276 1.00 0.00 C ATOM 990 NH1 ARG A 68 4.618 14.338 -6.551 1.00 0.00 N ATOM 991 NH2 ARG A 68 6.690 15.283 -7.001 1.00 0.00 N ATOM 0 H ARG A 68 1.106 12.769 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 68 2.401 14.799 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.570 13.165 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.847 13.992 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.301 15.697 -2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.282 14.661 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.292 15.926 -5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.037 17.169 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 68 6.122 16.800 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.760 14.311 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.756 13.673 -7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.409 15.975 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.828 14.618 -7.762 1.00 0.00 H new ATOM 1005 N ALA A 69 0.413 15.563 -3.906 1.00 0.00 N ATOM 1006 CA ALA A 69 -0.296 16.648 -4.562 1.00 0.00 C ATOM 1007 C ALA A 69 -1.508 17.046 -3.717 1.00 0.00 C ATOM 1008 O ALA A 69 -2.003 18.166 -3.824 1.00 0.00 O ATOM 1009 CB ALA A 69 -0.688 16.220 -5.978 1.00 0.00 C ATOM 0 H ALA A 69 0.114 14.628 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 69 0.345 17.525 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.220 17.034 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.210 15.977 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.333 15.343 -5.927 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.950 16.105 -2.896 1.00 0.00 N ATOM 1016 CA ALA A 70 -3.095 16.343 -2.033 1.00 0.00 C ATOM 1017 C ALA A 70 -2.667 17.222 -0.856 1.00 0.00 C ATOM 1018 O ALA A 70 -2.770 18.446 -0.921 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.679 15.004 -1.578 1.00 0.00 C ATOM 0 H ALA A 70 -1.536 15.177 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.879 16.874 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.538 15.183 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.994 14.430 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.921 14.444 -1.029 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.195 16.563 0.192 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.751 17.269 1.382 1.00 0.00 C ATOM 1027 C ASN A 71 -0.723 18.331 0.986 1.00 0.00 C ATOM 1028 O ASN A 71 -1.013 19.526 1.026 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.084 16.313 2.373 1.00 0.00 C ATOM 1030 CG ASN A 71 -1.965 16.097 3.605 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -1.986 16.890 4.532 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.690 14.982 3.563 1.00 0.00 N ATOM 0 H ASN A 71 -2.110 15.548 0.242 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.625 17.723 1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.891 15.356 1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.118 16.716 2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.311 14.748 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.625 14.361 2.756 1.00 0.00 H new ATOM 1039 N CYS A 72 0.456 17.857 0.611 1.00 0.00 N ATOM 1040 CA CYS A 72 1.528 18.751 0.208 1.00 0.00 C ATOM 1041 C CYS A 72 1.175 19.337 -1.161 1.00 0.00 C ATOM 1042 O CYS A 72 0.382 18.759 -1.902 1.00 0.00 O ATOM 1043 CB CYS A 72 2.882 18.040 0.192 1.00 0.00 C ATOM 1044 SG CYS A 72 3.398 17.335 1.800 1.00 0.00 S ATOM 0 H CYS A 72 0.692 16.865 0.578 1.00 0.00 H new ATOM 0 HA CYS A 72 1.624 19.558 0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.847 17.238 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.643 18.746 -0.140 1.00 0.00 H new ATOM 1049 N ALA A 73 1.781 20.479 -1.454 1.00 0.00 N ATOM 1050 CA ALA A 73 1.541 21.150 -2.720 1.00 0.00 C ATOM 1051 C ALA A 73 2.505 22.329 -2.858 1.00 0.00 C ATOM 1052 O ALA A 73 3.184 22.465 -3.875 1.00 0.00 O ATOM 1053 CB ALA A 73 0.075 21.582 -2.799 1.00 0.00 C ATOM 0 H ALA A 73 2.438 20.956 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 73 1.727 20.474 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.105 22.085 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.567 20.704 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.148 22.264 -1.979 1.00 0.00 H new ATOM 1059 N SER A 74 2.534 23.153 -1.821 1.00 0.00 N ATOM 1060 CA SER A 74 3.403 24.317 -1.814 1.00 0.00 C ATOM 1061 C SER A 74 4.851 23.887 -1.568 1.00 0.00 C ATOM 1062 O SER A 74 5.777 24.450 -2.150 1.00 0.00 O ATOM 1063 CB SER A 74 2.962 25.328 -0.754 1.00 0.00 C ATOM 1064 OG SER A 74 2.852 26.646 -1.285 1.00 0.00 O ATOM 0 H SER A 74 1.969 23.037 -0.979 1.00 0.00 H new ATOM 0 HA SER A 74 3.335 24.801 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.001 25.023 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.678 25.327 0.068 1.00 0.00 H new ATOM 0 HG SER A 74 2.567 27.261 -0.577 1.00 0.00 H new ATOM 1070 N GLU A 75 5.001 22.894 -0.704 1.00 0.00 N ATOM 1071 CA GLU A 75 6.320 22.382 -0.374 1.00 0.00 C ATOM 1072 C GLU A 75 6.953 21.716 -1.597 1.00 0.00 C ATOM 1073 O GLU A 75 8.168 21.771 -1.779 1.00 0.00 O ATOM 1074 CB GLU A 75 6.251 21.410 0.806 1.00 0.00 C ATOM 1075 CG GLU A 75 6.525 22.130 2.127 1.00 0.00 C ATOM 1076 CD GLU A 75 5.220 22.589 2.782 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.201 21.900 2.559 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.272 23.617 3.490 1.00 0.00 O ATOM 0 H GLU A 75 4.231 22.430 -0.222 1.00 0.00 H new ATOM 0 HA GLU A 75 6.949 23.220 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.267 20.943 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.978 20.610 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.061 21.465 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.169 22.991 1.949 1.00 0.00 H new ATOM 1085 N CYS A 76 6.100 21.102 -2.405 1.00 0.00 N ATOM 1086 CA CYS A 76 6.560 20.426 -3.606 1.00 0.00 C ATOM 1087 C CYS A 76 6.062 21.212 -4.820 1.00 0.00 C ATOM 1088 O CYS A 76 4.891 21.121 -5.185 1.00 0.00 O ATOM 1089 CB CYS A 76 6.104 18.967 -3.644 1.00 0.00 C ATOM 1090 SG CYS A 76 5.919 18.177 -2.003 1.00 0.00 S ATOM 0 H CYS A 76 5.093 21.059 -2.251 1.00 0.00 H new ATOM 0 HA CYS A 76 7.650 20.397 -3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.149 18.913 -4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.821 18.392 -4.230 1.00 0.00 H new ATOM 1095 N PRO A 77 7.000 21.987 -5.428 1.00 0.00 N ATOM 1096 CA PRO A 77 6.668 22.788 -6.594 1.00 0.00 C ATOM 1097 C PRO A 77 6.533 21.912 -7.841 1.00 0.00 C ATOM 1098 O PRO A 77 6.574 20.686 -7.750 1.00 0.00 O ATOM 1099 CB PRO A 77 7.790 23.808 -6.702 1.00 0.00 C ATOM 1100 CG PRO A 77 8.941 23.251 -5.880 1.00 0.00 C ATOM 1101 CD PRO A 77 8.396 22.120 -5.023 1.00 0.00 C ATOM 0 HA PRO A 77 5.703 23.286 -6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.087 23.954 -7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.473 24.779 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.735 22.887 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.375 24.030 -5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.947 21.195 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.480 22.352 -3.961 1.00 0.00 H new ATOM 1109 N LYS A 78 6.375 22.576 -8.977 1.00 0.00 N ATOM 1110 CA LYS A 78 6.234 21.873 -10.241 1.00 0.00 C ATOM 1111 C LYS A 78 7.592 21.821 -10.944 1.00 0.00 C ATOM 1112 O LYS A 78 7.742 22.337 -12.051 1.00 0.00 O ATOM 1113 CB LYS A 78 5.128 22.507 -11.086 1.00 0.00 C ATOM 1114 CG LYS A 78 4.239 21.435 -11.720 1.00 0.00 C ATOM 1115 CD LYS A 78 4.674 21.142 -13.157 1.00 0.00 C ATOM 1116 CE LYS A 78 5.398 19.797 -13.248 1.00 0.00 C ATOM 1117 NZ LYS A 78 5.882 19.561 -14.626 1.00 0.00 N ATOM 0 H LYS A 78 6.342 23.593 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 78 5.922 20.842 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.522 23.165 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.571 23.125 -11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.287 20.521 -11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.201 21.766 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.802 21.134 -13.810 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.330 21.937 -13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.238 19.782 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.724 18.994 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.371 18.644 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.074 19.555 -15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.541 20.318 -14.897 1.00 0.00 H new ATOM 1131 N HIS A 79 8.547 21.193 -10.274 1.00 0.00 N ATOM 1132 CA HIS A 79 9.887 21.066 -10.821 1.00 0.00 C ATOM 1133 C HIS A 79 10.782 20.332 -9.821 1.00 0.00 C ATOM 1134 O HIS A 79 11.876 20.796 -9.504 1.00 0.00 O ATOM 1135 CB HIS A 79 10.442 22.435 -11.220 1.00 0.00 C ATOM 1136 CG HIS A 79 10.822 22.543 -12.677 1.00 0.00 C ATOM 1137 ND1 HIS A 79 10.085 22.342 -13.807 1.00 0.00 N flip ATOM 1138 CD2 HIS A 79 12.093 22.893 -13.097 1.00 0.00 C flip ATOM 1139 CE1 HIS A 79 10.864 22.559 -14.860 1.00 0.00 C flip ATOM 1140 NE2 HIS A 79 12.109 22.900 -14.422 1.00 0.00 N flip ATOM 0 H HIS A 79 8.419 20.766 -9.356 1.00 0.00 H new ATOM 0 HA HIS A 79 9.857 20.470 -11.733 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.698 23.198 -10.992 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.318 22.652 -10.610 1.00 0.00 H new ATOM 0 HD1 HIS A 79 9.102 22.071 -13.838 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.930 23.122 -12.454 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.561 22.479 -15.894 1.00 0.00 H new ATOM 1148 N GLU A 80 10.284 19.197 -9.353 1.00 0.00 N ATOM 1149 CA GLU A 80 11.025 18.393 -8.396 1.00 0.00 C ATOM 1150 C GLU A 80 10.310 17.063 -8.153 1.00 0.00 C ATOM 1151 O GLU A 80 9.089 16.977 -8.282 1.00 0.00 O ATOM 1152 CB GLU A 80 11.230 19.153 -7.084 1.00 0.00 C ATOM 1153 CG GLU A 80 12.714 19.428 -6.835 1.00 0.00 C ATOM 1154 CD GLU A 80 13.481 18.126 -6.596 1.00 0.00 C ATOM 1155 OE1 GLU A 80 13.500 17.299 -7.533 1.00 0.00 O ATOM 1156 OE2 GLU A 80 14.030 17.987 -5.482 1.00 0.00 O ATOM 0 H GLU A 80 9.376 18.815 -9.619 1.00 0.00 H new ATOM 0 HA GLU A 80 12.010 18.182 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.682 20.095 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.820 18.574 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.139 19.952 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.826 20.084 -5.972 1.00 0.00 H new ATOM 1163 N HIS A 81 11.100 16.057 -7.805 1.00 0.00 N ATOM 1164 CA HIS A 81 10.557 14.735 -7.543 1.00 0.00 C ATOM 1165 C HIS A 81 10.540 14.477 -6.035 1.00 0.00 C ATOM 1166 O HIS A 81 9.490 14.188 -5.463 1.00 0.00 O ATOM 1167 CB HIS A 81 11.330 13.667 -8.319 1.00 0.00 C ATOM 1168 CG HIS A 81 12.818 13.679 -8.063 1.00 0.00 C ATOM 1169 ND1 HIS A 81 13.436 12.800 -7.191 1.00 0.00 N ATOM 1170 CD2 HIS A 81 13.804 14.471 -8.575 1.00 0.00 C ATOM 1171 CE1 HIS A 81 14.735 13.061 -7.185 1.00 0.00 C ATOM 1172 NE2 HIS A 81 14.961 14.097 -8.043 1.00 0.00 N ATOM 0 H HIS A 81 12.112 16.131 -7.699 1.00 0.00 H new ATOM 0 HA HIS A 81 9.527 14.684 -7.897 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.935 12.685 -8.058 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.154 13.808 -9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.666 15.267 -9.292 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.484 12.544 -6.603 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.870 14.515 -8.243 1.00 0.00 H new ATOM 1180 N LYS A 82 11.715 14.591 -5.434 1.00 0.00 N ATOM 1181 CA LYS A 82 11.849 14.374 -4.004 1.00 0.00 C ATOM 1182 C LYS A 82 12.595 15.555 -3.380 1.00 0.00 C ATOM 1183 O LYS A 82 13.723 15.405 -2.913 1.00 0.00 O ATOM 1184 CB LYS A 82 12.503 13.019 -3.727 1.00 0.00 C ATOM 1185 CG LYS A 82 11.709 12.231 -2.682 1.00 0.00 C ATOM 1186 CD LYS A 82 11.060 10.993 -3.305 1.00 0.00 C ATOM 1187 CE LYS A 82 9.647 11.306 -3.800 1.00 0.00 C ATOM 1188 NZ LYS A 82 9.617 11.367 -5.279 1.00 0.00 N ATOM 0 H LYS A 82 12.584 14.831 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 82 10.867 14.332 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.564 12.445 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.524 13.169 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.370 11.929 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.940 12.869 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.670 10.637 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.022 10.189 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.954 10.542 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.312 12.256 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.320 12.317 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.566 11.165 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.944 10.662 -5.642 1.00 0.00 H new ATOM 1202 N SER A 83 11.935 16.704 -3.394 1.00 0.00 N ATOM 1203 CA SER A 83 12.522 17.911 -2.835 1.00 0.00 C ATOM 1204 C SER A 83 12.708 17.751 -1.325 1.00 0.00 C ATOM 1205 O SER A 83 11.961 17.018 -0.678 1.00 0.00 O ATOM 1206 CB SER A 83 11.655 19.135 -3.137 1.00 0.00 C ATOM 1207 OG SER A 83 12.070 20.279 -2.396 1.00 0.00 O ATOM 0 H SER A 83 11.000 16.825 -3.783 1.00 0.00 H new ATOM 0 HA SER A 83 13.496 18.066 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.701 19.357 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.615 18.909 -2.903 1.00 0.00 H new ATOM 0 HG SER A 83 11.546 21.058 -2.676 1.00 0.00 H new ATOM 1213 N ASP A 84 13.707 18.450 -0.807 1.00 0.00 N ATOM 1214 CA ASP A 84 14.001 18.395 0.614 1.00 0.00 C ATOM 1215 C ASP A 84 12.759 18.814 1.404 1.00 0.00 C ATOM 1216 O ASP A 84 12.195 18.015 2.150 1.00 0.00 O ATOM 1217 CB ASP A 84 15.138 19.352 0.979 1.00 0.00 C ATOM 1218 CG ASP A 84 15.505 19.384 2.464 1.00 0.00 C ATOM 1219 OD1 ASP A 84 14.574 19.578 3.275 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.709 19.212 2.755 1.00 0.00 O ATOM 0 H ASP A 84 14.323 19.058 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 84 14.296 17.374 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.024 19.075 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.860 20.359 0.667 1.00 0.00 H new ATOM 1225 N THR A 85 12.370 20.066 1.212 1.00 0.00 N ATOM 1226 CA THR A 85 11.205 20.600 1.897 1.00 0.00 C ATOM 1227 C THR A 85 9.996 19.686 1.687 1.00 0.00 C ATOM 1228 O THR A 85 9.212 19.465 2.608 1.00 0.00 O ATOM 1229 CB THR A 85 10.979 22.030 1.401 1.00 0.00 C ATOM 1230 OG1 THR A 85 10.024 22.567 2.312 1.00 0.00 O ATOM 1231 CG2 THR A 85 10.268 22.074 0.047 1.00 0.00 C ATOM 0 H THR A 85 12.841 20.726 0.592 1.00 0.00 H new ATOM 0 HA THR A 85 11.362 20.635 2.975 1.00 0.00 H new ATOM 0 HB THR A 85 11.938 22.543 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.821 23.493 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.132 23.111 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.870 21.552 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.295 21.590 0.131 1.00 0.00 H new ATOM 1239 N CYS A 86 9.883 19.179 0.468 1.00 0.00 N ATOM 1240 CA CYS A 86 8.784 18.294 0.124 1.00 0.00 C ATOM 1241 C CYS A 86 8.832 17.083 1.059 1.00 0.00 C ATOM 1242 O CYS A 86 7.901 16.851 1.828 1.00 0.00 O ATOM 1243 CB CYS A 86 8.829 17.880 -1.348 1.00 0.00 C ATOM 1244 SG CYS A 86 7.452 16.800 -1.885 1.00 0.00 S ATOM 0 H CYS A 86 10.535 19.365 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 86 7.837 18.818 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.828 18.779 -1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.771 17.365 -1.537 1.00 0.00 H new ATOM 1249 N ARG A 87 9.927 16.343 0.961 1.00 0.00 N ATOM 1250 CA ARG A 87 10.108 15.162 1.788 1.00 0.00 C ATOM 1251 C ARG A 87 9.735 15.469 3.240 1.00 0.00 C ATOM 1252 O ARG A 87 9.085 14.661 3.901 1.00 0.00 O ATOM 1253 CB ARG A 87 11.556 14.669 1.733 1.00 0.00 C ATOM 1254 CG ARG A 87 11.871 14.043 0.374 1.00 0.00 C ATOM 1255 CD ARG A 87 12.996 13.013 0.492 1.00 0.00 C ATOM 1256 NE ARG A 87 12.458 11.731 0.999 1.00 0.00 N ATOM 1257 CZ ARG A 87 13.215 10.675 1.325 1.00 0.00 C ATOM 1258 NH1 ARG A 87 14.548 10.741 1.199 1.00 0.00 N ATOM 1259 NH2 ARG A 87 12.640 9.552 1.777 1.00 0.00 N ATOM 0 H ARG A 87 10.697 16.538 0.322 1.00 0.00 H new ATOM 0 HA ARG A 87 9.455 14.381 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.235 15.501 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.725 13.937 2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.977 13.566 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.159 14.822 -0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.464 12.861 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.770 13.383 1.164 1.00 0.00 H new ATOM 0 HE ARG A 87 11.447 11.646 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.986 11.595 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.124 9.937 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.626 9.501 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.217 8.748 2.025 1.00 0.00 H new ATOM 1273 N ALA A 88 10.163 16.638 3.693 1.00 0.00 N ATOM 1274 CA ALA A 88 9.882 17.061 5.054 1.00 0.00 C ATOM 1275 C ALA A 88 8.367 17.152 5.253 1.00 0.00 C ATOM 1276 O ALA A 88 7.844 16.708 6.274 1.00 0.00 O ATOM 1277 CB ALA A 88 10.587 18.390 5.332 1.00 0.00 C ATOM 0 H ALA A 88 10.702 17.305 3.142 1.00 0.00 H new ATOM 0 HA ALA A 88 10.266 16.333 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.376 18.707 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.662 18.265 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.226 19.146 4.635 1.00 0.00 H new ATOM 1283 N CYS A 89 7.706 17.730 4.261 1.00 0.00 N ATOM 1284 CA CYS A 89 6.263 17.885 4.314 1.00 0.00 C ATOM 1285 C CYS A 89 5.627 16.494 4.244 1.00 0.00 C ATOM 1286 O CYS A 89 4.896 16.095 5.149 1.00 0.00 O ATOM 1287 CB CYS A 89 5.751 18.803 3.203 1.00 0.00 C ATOM 1288 SG CYS A 89 3.931 18.833 3.009 1.00 0.00 S ATOM 0 H CYS A 89 8.144 18.097 3.416 1.00 0.00 H new ATOM 0 HA CYS A 89 5.981 18.366 5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 89 6.098 19.817 3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 89 6.198 18.491 2.259 1.00 0.00 H new ATOM 1293 N MET A 90 5.929 15.795 3.160 1.00 0.00 N ATOM 1294 CA MET A 90 5.397 14.458 2.960 1.00 0.00 C ATOM 1295 C MET A 90 5.789 13.533 4.114 1.00 0.00 C ATOM 1296 O MET A 90 5.172 12.488 4.313 1.00 0.00 O ATOM 1297 CB MET A 90 5.931 13.887 1.644 1.00 0.00 C ATOM 1298 CG MET A 90 5.093 14.368 0.458 1.00 0.00 C ATOM 1299 SD MET A 90 4.974 13.076 -0.768 1.00 0.00 S ATOM 1300 CE MET A 90 3.791 12.002 0.028 1.00 0.00 C ATOM 0 H MET A 90 6.535 16.129 2.411 1.00 0.00 H new ATOM 0 HA MET A 90 4.309 14.522 2.924 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.969 14.189 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.919 12.798 1.685 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.097 14.652 0.797 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.546 15.257 0.019 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.021 10.964 -0.214 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.841 12.142 1.108 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.787 12.243 -0.323 1.00 0.00 H new ATOM 1310 N LYS A 91 6.812 13.952 4.844 1.00 0.00 N ATOM 1311 CA LYS A 91 7.293 13.174 5.974 1.00 0.00 C ATOM 1312 C LYS A 91 6.277 13.257 7.114 1.00 0.00 C ATOM 1313 O LYS A 91 6.053 12.278 7.824 1.00 0.00 O ATOM 1314 CB LYS A 91 8.701 13.621 6.371 1.00 0.00 C ATOM 1315 CG LYS A 91 9.104 13.028 7.722 1.00 0.00 C ATOM 1316 CD LYS A 91 10.357 12.160 7.588 1.00 0.00 C ATOM 1317 CE LYS A 91 9.988 10.678 7.486 1.00 0.00 C ATOM 1318 NZ LYS A 91 10.842 9.869 8.384 1.00 0.00 N ATOM 0 H LYS A 91 7.321 14.820 4.676 1.00 0.00 H new ATOM 0 HA LYS A 91 7.382 12.122 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.414 13.311 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.740 14.709 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.288 13.831 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.284 12.430 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.919 12.460 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.007 12.318 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.939 10.539 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.106 10.337 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.579 8.866 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.839 9.988 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.709 10.183 9.366 1.00 0.00 H new ATOM 1332 N THR A 92 5.688 14.436 7.256 1.00 0.00 N ATOM 1333 CA THR A 92 4.701 14.660 8.298 1.00 0.00 C ATOM 1334 C THR A 92 3.290 14.653 7.707 1.00 0.00 C ATOM 1335 O THR A 92 2.452 13.844 8.101 1.00 0.00 O ATOM 1336 CB THR A 92 5.055 15.966 9.012 1.00 0.00 C ATOM 1337 OG1 THR A 92 6.113 15.604 9.895 1.00 0.00 O ATOM 1338 CG2 THR A 92 3.940 16.445 9.944 1.00 0.00 C ATOM 0 H THR A 92 5.876 15.246 6.666 1.00 0.00 H new ATOM 0 HA THR A 92 4.714 13.857 9.035 1.00 0.00 H new ATOM 0 HB THR A 92 5.266 16.738 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.405 16.394 10.397 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.243 17.375 10.425 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.031 16.614 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.751 15.688 10.705 1.00 0.00 H new ATOM 1346 N ASN A 93 3.071 15.565 6.771 1.00 0.00 N ATOM 1347 CA ASN A 93 1.776 15.675 6.121 1.00 0.00 C ATOM 1348 C ASN A 93 1.317 14.286 5.671 1.00 0.00 C ATOM 1349 O ASN A 93 0.139 13.951 5.785 1.00 0.00 O ATOM 1350 CB ASN A 93 1.855 16.571 4.884 1.00 0.00 C ATOM 1351 CG ASN A 93 1.504 18.019 5.232 1.00 0.00 C ATOM 1352 OD1 ASN A 93 0.532 18.581 4.755 1.00 0.00 O ATOM 1353 ND2 ASN A 93 2.347 18.589 6.088 1.00 0.00 N ATOM 0 H ASN A 93 3.769 16.235 6.447 1.00 0.00 H new ATOM 0 HA ASN A 93 1.076 16.108 6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.859 16.528 4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.172 16.201 4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.199 19.554 6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.142 18.061 6.449 1.00 0.00 H new ATOM 1360 N CYS A 94 2.271 13.516 5.170 1.00 0.00 N ATOM 1361 CA CYS A 94 1.980 12.172 4.702 1.00 0.00 C ATOM 1362 C CYS A 94 3.017 11.219 5.301 1.00 0.00 C ATOM 1363 O CYS A 94 3.410 11.371 6.456 1.00 0.00 O ATOM 1364 CB CYS A 94 1.952 12.098 3.174 1.00 0.00 C ATOM 1365 SG CYS A 94 0.854 10.804 2.488 1.00 0.00 S ATOM 0 H CYS A 94 3.247 13.797 5.078 1.00 0.00 H new ATOM 0 HA CYS A 94 0.984 11.877 5.032 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.638 13.066 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.966 11.923 2.814 1.00 0.00 H new ATOM 1370 N LYS A 95 3.430 10.258 4.487 1.00 0.00 N ATOM 1371 CA LYS A 95 4.413 9.281 4.922 1.00 0.00 C ATOM 1372 C LYS A 95 5.587 9.274 3.940 1.00 0.00 C ATOM 1373 O LYS A 95 6.724 9.541 4.325 1.00 0.00 O ATOM 1374 CB LYS A 95 3.760 7.911 5.110 1.00 0.00 C ATOM 1375 CG LYS A 95 3.861 7.450 6.566 1.00 0.00 C ATOM 1376 CD LYS A 95 5.058 6.518 6.764 1.00 0.00 C ATOM 1377 CE LYS A 95 5.681 6.711 8.148 1.00 0.00 C ATOM 1378 NZ LYS A 95 6.041 5.405 8.742 1.00 0.00 N ATOM 0 H LYS A 95 3.102 10.136 3.529 1.00 0.00 H new ATOM 0 HA LYS A 95 4.815 9.553 5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.713 7.960 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.243 7.182 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.958 8.317 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.944 6.936 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.740 5.482 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.805 6.712 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.569 7.338 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.979 7.232 8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.462 5.555 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.187 4.819 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.727 4.922 8.128 1.00 0.00 H new