USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 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 64 HIS : no HD1:sc= -0.0122 X(o=-0.37,f=-0.72) USER MOD Set 1.2: A 90 MET CE :methyl 146:sc= -0.359 (180deg=-1.58!) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.046) USER MOD Single : A 12 GLN : amide:sc= -0.0123 K(o=-0.012,f=-1.2) 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 111:sc= 0.613 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 180:sc= 0.0128 USER MOD Single : A 34 SER OG : rot 175:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc=-0.000992 (180deg=-0.313) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 43 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.095) 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= -0.704 K(o=-0.7,f=-4.4!) 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.951 X(o=-0.95,f=-0.82) 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 : no HD1:sc= -0.58 X(o=-0.58,f=-0.22) USER MOD Single : A 81 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.17) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -151:sc= -1.28 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 97:sc= 0.731 USER MOD Single : A 93 ASN : amide:sc= -3.16 K(o=-3.2,f=-6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -5.209 13.407 4.360 1.00 0.00 N ATOM 91 CA VAL A 7 -5.704 12.557 3.291 1.00 0.00 C ATOM 92 C VAL A 7 -5.286 11.110 3.561 1.00 0.00 C ATOM 93 O VAL A 7 -5.896 10.177 3.042 1.00 0.00 O ATOM 94 CB VAL A 7 -5.214 13.078 1.938 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.555 12.096 0.816 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.787 14.466 1.646 1.00 0.00 C ATOM 0 HA VAL A 7 -6.793 12.580 3.258 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.129 13.167 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.196 12.491 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.077 11.137 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.635 11.960 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.424 14.814 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.876 14.414 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.471 15.161 2.424 1.00 0.00 H new ATOM 106 N ASP A 8 -4.248 10.969 4.372 1.00 0.00 N ATOM 107 CA ASP A 8 -3.741 9.652 4.717 1.00 0.00 C ATOM 108 C ASP A 8 -3.539 8.837 3.438 1.00 0.00 C ATOM 109 O ASP A 8 -3.742 9.344 2.336 1.00 0.00 O ATOM 110 CB ASP A 8 -4.730 8.897 5.608 1.00 0.00 C ATOM 111 CG ASP A 8 -4.700 9.291 7.086 1.00 0.00 C ATOM 112 OD1 ASP A 8 -3.588 9.271 7.656 1.00 0.00 O ATOM 113 OD2 ASP A 8 -5.790 9.604 7.612 1.00 0.00 O ATOM 0 H ASP A 8 -3.744 11.746 4.800 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.800 9.782 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.738 9.059 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.526 7.829 5.528 1.00 0.00 H new ATOM 118 N CYS A 9 -3.142 7.587 3.628 1.00 0.00 N ATOM 119 CA CYS A 9 -2.910 6.697 2.503 1.00 0.00 C ATOM 120 C CYS A 9 -3.132 5.259 2.975 1.00 0.00 C ATOM 121 O CYS A 9 -3.830 4.487 2.318 1.00 0.00 O ATOM 122 CB CYS A 9 -1.515 6.892 1.905 1.00 0.00 C ATOM 123 SG CYS A 9 -1.392 8.234 0.666 1.00 0.00 S ATOM 0 H CYS A 9 -2.975 7.170 4.544 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.612 6.929 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.814 7.098 2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.200 5.958 1.440 1.00 0.00 H new ATOM 128 N LYS A 10 -2.526 4.942 4.109 1.00 0.00 N ATOM 129 CA LYS A 10 -2.649 3.610 4.677 1.00 0.00 C ATOM 130 C LYS A 10 -4.124 3.205 4.702 1.00 0.00 C ATOM 131 O LYS A 10 -4.472 2.088 4.323 1.00 0.00 O ATOM 132 CB LYS A 10 -1.970 3.546 6.047 1.00 0.00 C ATOM 133 CG LYS A 10 -1.040 2.335 6.142 1.00 0.00 C ATOM 134 CD LYS A 10 -1.745 1.154 6.812 1.00 0.00 C ATOM 135 CE LYS A 10 -1.611 -0.115 5.968 1.00 0.00 C ATOM 136 NZ LYS A 10 -1.297 -1.279 6.827 1.00 0.00 N ATOM 0 H LYS A 10 -1.948 5.585 4.650 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.129 2.882 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.401 4.460 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.727 3.490 6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.709 2.047 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.148 2.600 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.318 0.984 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.799 1.390 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.538 -0.297 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.826 0.017 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.326 -2.149 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.347 -1.164 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.997 -1.343 7.594 1.00 0.00 H new ATOM 150 N GLY A 11 -4.953 4.136 5.153 1.00 0.00 N ATOM 151 CA GLY A 11 -6.383 3.890 5.232 1.00 0.00 C ATOM 152 C GLY A 11 -7.014 3.869 3.839 1.00 0.00 C ATOM 153 O GLY A 11 -7.800 2.977 3.523 1.00 0.00 O ATOM 0 H GLY A 11 -4.661 5.062 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.565 2.938 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.856 4.663 5.837 1.00 0.00 H new ATOM 157 N GLN A 12 -6.646 4.861 3.042 1.00 0.00 N ATOM 158 CA GLN A 12 -7.166 4.968 1.690 1.00 0.00 C ATOM 159 C GLN A 12 -6.544 3.894 0.795 1.00 0.00 C ATOM 160 O GLN A 12 -5.921 4.208 -0.218 1.00 0.00 O ATOM 161 CB GLN A 12 -6.924 6.366 1.117 1.00 0.00 C ATOM 162 CG GLN A 12 -8.101 7.294 1.422 1.00 0.00 C ATOM 163 CD GLN A 12 -9.229 7.102 0.407 1.00 0.00 C ATOM 164 OE1 GLN A 12 -9.214 6.197 -0.412 1.00 0.00 O ATOM 165 NE2 GLN A 12 -10.204 8.000 0.504 1.00 0.00 N ATOM 0 H GLN A 12 -5.993 5.599 3.307 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.243 4.807 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.009 6.782 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.777 6.301 0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.474 7.096 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.765 8.331 1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.154 8.732 1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.002 7.957 -0.130 1.00 0.00 H new ATOM 174 N CYS A 13 -6.733 2.647 1.203 1.00 0.00 N ATOM 175 CA CYS A 13 -6.197 1.525 0.451 1.00 0.00 C ATOM 176 C CYS A 13 -6.962 0.264 0.860 1.00 0.00 C ATOM 177 O CYS A 13 -6.381 -0.665 1.419 1.00 0.00 O ATOM 178 CB CYS A 13 -4.690 1.371 0.661 1.00 0.00 C ATOM 179 SG CYS A 13 -3.660 2.568 -0.264 1.00 0.00 S ATOM 0 H CYS A 13 -7.249 2.389 2.044 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.332 1.701 -0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.473 1.472 1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.398 0.362 0.371 1.00 0.00 H new ATOM 184 N THR A 14 -8.254 0.273 0.566 1.00 0.00 N ATOM 185 CA THR A 14 -9.104 -0.858 0.896 1.00 0.00 C ATOM 186 C THR A 14 -9.535 -1.591 -0.376 1.00 0.00 C ATOM 187 O THR A 14 -9.415 -2.812 -0.464 1.00 0.00 O ATOM 188 CB THR A 14 -10.280 -0.340 1.727 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.745 -0.206 3.041 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.391 -1.380 1.881 1.00 0.00 C ATOM 0 H THR A 14 -8.733 1.046 0.103 1.00 0.00 H new ATOM 0 HA THR A 14 -8.566 -1.595 1.492 1.00 0.00 H new ATOM 0 HB THR A 14 -10.686 0.558 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.441 0.127 3.645 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.201 -0.962 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.771 -1.655 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.994 -2.266 2.377 1.00 0.00 H new ATOM 198 N THR A 15 -10.028 -0.814 -1.329 1.00 0.00 N ATOM 199 CA THR A 15 -10.477 -1.374 -2.593 1.00 0.00 C ATOM 200 C THR A 15 -9.320 -2.074 -3.307 1.00 0.00 C ATOM 201 O THR A 15 -9.474 -3.192 -3.797 1.00 0.00 O ATOM 202 CB THR A 15 -11.104 -0.245 -3.413 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.507 -0.430 -3.244 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.884 -0.422 -4.917 1.00 0.00 C ATOM 0 H THR A 15 -10.127 0.198 -1.252 1.00 0.00 H new ATOM 0 HA THR A 15 -11.234 -2.143 -2.439 1.00 0.00 H new ATOM 0 HB THR A 15 -10.686 0.710 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.991 0.262 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.349 0.406 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.815 -0.437 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.332 -1.361 -5.242 1.00 0.00 H new ATOM 212 N PRO A 16 -8.158 -1.369 -3.346 1.00 0.00 N ATOM 213 CA PRO A 16 -6.975 -1.912 -3.993 1.00 0.00 C ATOM 214 C PRO A 16 -6.328 -2.998 -3.131 1.00 0.00 C ATOM 215 O PRO A 16 -5.506 -3.773 -3.617 1.00 0.00 O ATOM 216 CB PRO A 16 -6.067 -0.714 -4.220 1.00 0.00 C ATOM 217 CG PRO A 16 -6.566 0.372 -3.281 1.00 0.00 C ATOM 218 CD PRO A 16 -7.939 -0.043 -2.778 1.00 0.00 C ATOM 0 HA PRO A 16 -7.202 -2.408 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.028 -0.966 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.110 -0.383 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.877 0.502 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.622 1.329 -3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.970 -0.069 -1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.708 0.658 -3.102 1.00 0.00 H new ATOM 226 N CYS A 17 -6.723 -3.019 -1.867 1.00 0.00 N ATOM 227 CA CYS A 17 -6.192 -3.997 -0.933 1.00 0.00 C ATOM 228 C CYS A 17 -7.357 -4.835 -0.401 1.00 0.00 C ATOM 229 O CYS A 17 -7.303 -5.338 0.720 1.00 0.00 O ATOM 230 CB CYS A 17 -5.406 -3.330 0.198 1.00 0.00 C ATOM 231 SG CYS A 17 -4.042 -2.242 -0.353 1.00 0.00 S ATOM 0 H CYS A 17 -7.405 -2.374 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.483 -4.646 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.096 -2.744 0.805 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.995 -4.107 0.843 1.00 0.00 H new ATOM 236 N GLU A 18 -8.381 -4.960 -1.232 1.00 0.00 N ATOM 237 CA GLU A 18 -9.557 -5.729 -0.860 1.00 0.00 C ATOM 238 C GLU A 18 -9.254 -7.227 -0.926 1.00 0.00 C ATOM 239 O GLU A 18 -9.408 -7.940 0.064 1.00 0.00 O ATOM 240 CB GLU A 18 -10.750 -5.371 -1.748 1.00 0.00 C ATOM 241 CG GLU A 18 -11.850 -4.682 -0.938 1.00 0.00 C ATOM 242 CD GLU A 18 -13.231 -4.982 -1.522 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.359 -6.051 -2.157 1.00 0.00 O ATOM 244 OE2 GLU A 18 -14.129 -4.136 -1.321 1.00 0.00 O ATOM 0 H GLU A 18 -8.421 -4.542 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.822 -5.477 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.423 -4.715 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.147 -6.274 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.809 -5.018 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.681 -3.605 -0.930 1.00 0.00 H new ATOM 251 N PRO A 19 -8.817 -7.672 -2.135 1.00 0.00 N ATOM 252 CA PRO A 19 -8.491 -9.073 -2.343 1.00 0.00 C ATOM 253 C PRO A 19 -7.153 -9.428 -1.690 1.00 0.00 C ATOM 254 O PRO A 19 -6.977 -10.538 -1.192 1.00 0.00 O ATOM 255 CB PRO A 19 -8.481 -9.254 -3.852 1.00 0.00 C ATOM 256 CG PRO A 19 -8.343 -7.858 -4.439 1.00 0.00 C ATOM 257 CD PRO A 19 -8.622 -6.857 -3.330 1.00 0.00 C ATOM 0 HA PRO A 19 -9.212 -9.746 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.654 -9.892 -4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.399 -9.732 -4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.341 -7.711 -4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.043 -7.720 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.791 -6.163 -3.205 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.506 -6.259 -3.550 1.00 0.00 H new ATOM 265 N LEU A 20 -6.245 -8.463 -1.713 1.00 0.00 N ATOM 266 CA LEU A 20 -4.929 -8.659 -1.130 1.00 0.00 C ATOM 267 C LEU A 20 -5.077 -8.946 0.366 1.00 0.00 C ATOM 268 O LEU A 20 -4.558 -9.944 0.865 1.00 0.00 O ATOM 269 CB LEU A 20 -4.022 -7.468 -1.441 1.00 0.00 C ATOM 270 CG LEU A 20 -2.790 -7.311 -0.546 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.071 -6.349 0.610 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.295 -8.672 -0.052 1.00 0.00 C ATOM 0 H LEU A 20 -6.395 -7.543 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.440 -9.526 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.687 -7.552 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.616 -6.557 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.989 -6.873 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.180 -6.255 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.340 -5.371 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.893 -6.735 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.419 -8.533 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.083 -9.160 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.029 -9.295 -0.906 1.00 0.00 H new ATOM 284 N THR A 21 -5.788 -8.054 1.040 1.00 0.00 N ATOM 285 CA THR A 21 -6.010 -8.198 2.468 1.00 0.00 C ATOM 286 C THR A 21 -6.719 -9.521 2.766 1.00 0.00 C ATOM 287 O THR A 21 -6.217 -10.339 3.535 1.00 0.00 O ATOM 288 CB THR A 21 -6.785 -6.971 2.952 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.824 -5.920 2.923 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.181 -7.073 4.427 1.00 0.00 C ATOM 0 H THR A 21 -6.218 -7.228 0.623 1.00 0.00 H new ATOM 0 HA THR A 21 -5.067 -8.240 3.013 1.00 0.00 H new ATOM 0 HB THR A 21 -7.680 -6.844 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.058 -5.282 2.216 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.728 -6.177 4.720 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.813 -7.949 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.284 -7.166 5.039 1.00 0.00 H new ATOM 298 N ALA A 22 -7.876 -9.690 2.142 1.00 0.00 N ATOM 299 CA ALA A 22 -8.659 -10.899 2.330 1.00 0.00 C ATOM 300 C ALA A 22 -7.757 -12.120 2.136 1.00 0.00 C ATOM 301 O ALA A 22 -7.896 -13.117 2.844 1.00 0.00 O ATOM 302 CB ALA A 22 -9.848 -10.893 1.367 1.00 0.00 C ATOM 0 H ALA A 22 -8.290 -9.009 1.505 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.061 -10.943 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.435 -11.800 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.473 -10.022 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.484 -10.852 0.340 1.00 0.00 H new ATOM 308 N CYS A 23 -6.855 -12.003 1.174 1.00 0.00 N ATOM 309 CA CYS A 23 -5.931 -13.085 0.878 1.00 0.00 C ATOM 310 C CYS A 23 -5.088 -13.352 2.126 1.00 0.00 C ATOM 311 O CYS A 23 -5.058 -14.472 2.632 1.00 0.00 O ATOM 312 CB CYS A 23 -5.062 -12.769 -0.342 1.00 0.00 C ATOM 313 SG CYS A 23 -4.211 -14.215 -1.072 1.00 0.00 S ATOM 0 H CYS A 23 -6.744 -11.175 0.589 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.490 -13.984 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.688 -12.309 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.313 -12.030 -0.056 1.00 0.00 H new ATOM 318 N LYS A 24 -4.422 -12.303 2.587 1.00 0.00 N ATOM 319 CA LYS A 24 -3.581 -12.409 3.766 1.00 0.00 C ATOM 320 C LYS A 24 -4.401 -12.986 4.922 1.00 0.00 C ATOM 321 O LYS A 24 -3.967 -13.925 5.588 1.00 0.00 O ATOM 322 CB LYS A 24 -2.932 -11.061 4.086 1.00 0.00 C ATOM 323 CG LYS A 24 -1.740 -10.794 3.164 1.00 0.00 C ATOM 324 CD LYS A 24 -0.976 -9.543 3.604 1.00 0.00 C ATOM 325 CE LYS A 24 0.017 -9.871 4.720 1.00 0.00 C ATOM 326 NZ LYS A 24 1.177 -8.954 4.667 1.00 0.00 N ATOM 0 H LYS A 24 -4.448 -11.375 2.164 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.756 -13.098 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.667 -10.264 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.603 -11.049 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.071 -11.654 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.089 -10.670 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.444 -9.119 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.680 -8.786 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.475 -9.788 5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.356 -10.902 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.842 -9.190 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.656 -9.053 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.850 -7.974 4.783 1.00 0.00 H new ATOM 340 N GLU A 25 -5.571 -12.400 5.125 1.00 0.00 N ATOM 341 CA GLU A 25 -6.456 -12.844 6.189 1.00 0.00 C ATOM 342 C GLU A 25 -6.699 -14.351 6.083 1.00 0.00 C ATOM 343 O GLU A 25 -6.272 -15.115 6.947 1.00 0.00 O ATOM 344 CB GLU A 25 -7.777 -12.073 6.162 1.00 0.00 C ATOM 345 CG GLU A 25 -7.985 -11.297 7.464 1.00 0.00 C ATOM 346 CD GLU A 25 -8.863 -12.086 8.438 1.00 0.00 C ATOM 347 OE1 GLU A 25 -9.817 -12.729 7.949 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.560 -12.029 9.649 1.00 0.00 O ATOM 0 H GLU A 25 -5.927 -11.621 4.571 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.974 -12.639 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.782 -11.383 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.604 -12.767 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.020 -11.089 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.449 -10.335 7.248 1.00 0.00 H new ATOM 355 N LYS A 26 -7.384 -14.734 5.015 1.00 0.00 N ATOM 356 CA LYS A 26 -7.689 -16.136 4.785 1.00 0.00 C ATOM 357 C LYS A 26 -6.480 -16.987 5.176 1.00 0.00 C ATOM 358 O LYS A 26 -6.627 -18.016 5.835 1.00 0.00 O ATOM 359 CB LYS A 26 -8.153 -16.353 3.343 1.00 0.00 C ATOM 360 CG LYS A 26 -9.144 -17.516 3.255 1.00 0.00 C ATOM 361 CD LYS A 26 -8.539 -18.695 2.491 1.00 0.00 C ATOM 362 CE LYS A 26 -9.623 -19.689 2.069 1.00 0.00 C ATOM 363 NZ LYS A 26 -9.530 -19.975 0.620 1.00 0.00 N ATOM 0 H LYS A 26 -7.736 -14.098 4.300 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.520 -16.454 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.620 -15.443 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.292 -16.556 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.426 -17.835 4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.056 -17.185 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.012 -18.330 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.802 -19.199 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.517 -20.614 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.607 -19.283 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.273 -20.651 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.654 -19.093 0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.597 -20.382 0.406 1.00 0.00 H new ATOM 377 N CYS A 27 -5.311 -16.528 4.754 1.00 0.00 N ATOM 378 CA CYS A 27 -4.077 -17.235 5.052 1.00 0.00 C ATOM 379 C CYS A 27 -3.928 -17.320 6.572 1.00 0.00 C ATOM 380 O CYS A 27 -3.795 -18.411 7.126 1.00 0.00 O ATOM 381 CB CYS A 27 -2.868 -16.564 4.397 1.00 0.00 C ATOM 382 SG CYS A 27 -2.470 -17.172 2.717 1.00 0.00 S ATOM 0 H CYS A 27 -5.192 -15.675 4.208 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.121 -18.241 4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.049 -15.490 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.998 -16.710 5.037 1.00 0.00 H new ATOM 387 N ALA A 28 -3.955 -16.156 7.204 1.00 0.00 N ATOM 388 CA ALA A 28 -3.824 -16.086 8.650 1.00 0.00 C ATOM 389 C ALA A 28 -4.625 -17.223 9.286 1.00 0.00 C ATOM 390 O ALA A 28 -4.096 -17.982 10.096 1.00 0.00 O ATOM 391 CB ALA A 28 -4.279 -14.709 9.137 1.00 0.00 C ATOM 0 H ALA A 28 -4.066 -15.254 6.742 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.783 -16.210 8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.181 -14.656 10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.660 -13.938 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.321 -14.551 8.859 1.00 0.00 H new ATOM 397 N GLU A 29 -5.888 -17.306 8.894 1.00 0.00 N ATOM 398 CA GLU A 29 -6.767 -18.339 9.416 1.00 0.00 C ATOM 399 C GLU A 29 -6.159 -19.722 9.182 1.00 0.00 C ATOM 400 O GLU A 29 -6.150 -20.562 10.081 1.00 0.00 O ATOM 401 CB GLU A 29 -8.161 -18.239 8.792 1.00 0.00 C ATOM 402 CG GLU A 29 -9.000 -17.168 9.491 1.00 0.00 C ATOM 403 CD GLU A 29 -9.313 -17.571 10.934 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.083 -18.542 11.097 1.00 0.00 O ATOM 405 OE2 GLU A 29 -8.774 -16.900 11.840 1.00 0.00 O ATOM 0 H GLU A 29 -6.324 -16.675 8.221 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.874 -18.189 10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.072 -18.002 7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.664 -19.203 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.464 -16.219 9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.930 -17.014 8.943 1.00 0.00 H new ATOM 412 N SER A 30 -5.664 -19.918 7.968 1.00 0.00 N ATOM 413 CA SER A 30 -5.054 -21.186 7.604 1.00 0.00 C ATOM 414 C SER A 30 -3.693 -21.328 8.288 1.00 0.00 C ATOM 415 O SER A 30 -3.103 -22.407 8.285 1.00 0.00 O ATOM 416 CB SER A 30 -4.901 -21.308 6.087 1.00 0.00 C ATOM 417 OG SER A 30 -5.453 -22.524 5.590 1.00 0.00 O ATOM 0 H SER A 30 -5.673 -19.220 7.224 1.00 0.00 H new ATOM 0 HA SER A 30 -5.708 -21.990 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.392 -20.463 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.845 -21.255 5.824 1.00 0.00 H new ATOM 0 HG SER A 30 -5.337 -22.563 4.618 1.00 0.00 H new ATOM 423 N CYS A 31 -3.235 -20.223 8.859 1.00 0.00 N ATOM 424 CA CYS A 31 -1.955 -20.211 9.545 1.00 0.00 C ATOM 425 C CYS A 31 -2.195 -19.812 11.002 1.00 0.00 C ATOM 426 O CYS A 31 -1.581 -18.870 11.501 1.00 0.00 O ATOM 427 CB CYS A 31 -0.952 -19.283 8.857 1.00 0.00 C ATOM 428 SG CYS A 31 -0.397 -19.842 7.205 1.00 0.00 S ATOM 0 H CYS A 31 -3.728 -19.330 8.860 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.512 -21.206 9.510 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.401 -18.295 8.759 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.079 -19.174 9.500 1.00 0.00 H new ATOM 433 N GLU A 32 -3.089 -20.548 11.645 1.00 0.00 N ATOM 434 CA GLU A 32 -3.418 -20.282 13.035 1.00 0.00 C ATOM 435 C GLU A 32 -2.737 -21.306 13.946 1.00 0.00 C ATOM 436 O GLU A 32 -2.001 -20.936 14.860 1.00 0.00 O ATOM 437 CB GLU A 32 -4.933 -20.280 13.249 1.00 0.00 C ATOM 438 CG GLU A 32 -5.477 -18.851 13.304 1.00 0.00 C ATOM 439 CD GLU A 32 -6.878 -18.820 13.918 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.739 -19.565 13.404 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.055 -18.052 14.888 1.00 0.00 O ATOM 0 H GLU A 32 -3.596 -21.329 11.229 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.046 -19.290 13.293 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.419 -20.827 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.174 -20.800 14.176 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.805 -18.225 13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.507 -18.431 12.299 1.00 0.00 H new ATOM 448 N THR A 33 -3.008 -22.572 13.667 1.00 0.00 N ATOM 449 CA THR A 33 -2.431 -23.651 14.450 1.00 0.00 C ATOM 450 C THR A 33 -0.932 -23.772 14.167 1.00 0.00 C ATOM 451 O THR A 33 -0.178 -24.272 15.001 1.00 0.00 O ATOM 452 CB THR A 33 -3.212 -24.930 14.142 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.074 -25.090 12.733 1.00 0.00 O ATOM 454 CG2 THR A 33 -4.718 -24.760 14.352 1.00 0.00 C ATOM 0 H THR A 33 -3.620 -22.875 12.909 1.00 0.00 H new ATOM 0 HA THR A 33 -2.514 -23.452 15.518 1.00 0.00 H new ATOM 0 HB THR A 33 -2.846 -25.740 14.773 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.550 -25.898 12.447 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.226 -25.696 14.120 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.912 -24.489 15.390 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.090 -23.973 13.696 1.00 0.00 H new ATOM 462 N SER A 34 -0.545 -23.307 12.989 1.00 0.00 N ATOM 463 CA SER A 34 0.850 -23.358 12.586 1.00 0.00 C ATOM 464 C SER A 34 1.731 -22.730 13.668 1.00 0.00 C ATOM 465 O SER A 34 1.405 -21.670 14.201 1.00 0.00 O ATOM 466 CB SER A 34 1.063 -22.645 11.249 1.00 0.00 C ATOM 467 OG SER A 34 1.117 -23.560 10.158 1.00 0.00 O ATOM 0 H SER A 34 -1.173 -22.893 12.300 1.00 0.00 H new ATOM 0 HA SER A 34 1.131 -24.403 12.459 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.254 -21.933 11.085 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.989 -22.072 11.287 1.00 0.00 H new ATOM 0 HG SER A 34 1.164 -23.062 9.315 1.00 0.00 H new ATOM 473 N ALA A 35 2.829 -23.410 13.962 1.00 0.00 N ATOM 474 CA ALA A 35 3.758 -22.933 14.971 1.00 0.00 C ATOM 475 C ALA A 35 4.169 -21.496 14.641 1.00 0.00 C ATOM 476 O ALA A 35 3.926 -20.581 15.426 1.00 0.00 O ATOM 477 CB ALA A 35 4.958 -23.879 15.050 1.00 0.00 C ATOM 0 H ALA A 35 3.096 -24.289 13.518 1.00 0.00 H new ATOM 0 HA ALA A 35 3.286 -22.924 15.953 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.655 -23.520 15.808 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.616 -24.879 15.316 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.459 -23.912 14.083 1.00 0.00 H new ATOM 483 N ASP A 36 4.784 -21.343 13.478 1.00 0.00 N ATOM 484 CA ASP A 36 5.231 -20.034 13.034 1.00 0.00 C ATOM 485 C ASP A 36 4.148 -19.400 12.158 1.00 0.00 C ATOM 486 O ASP A 36 4.163 -19.555 10.937 1.00 0.00 O ATOM 487 CB ASP A 36 6.510 -20.141 12.201 1.00 0.00 C ATOM 488 CG ASP A 36 7.514 -21.187 12.690 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.605 -21.352 13.926 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.167 -21.798 11.817 1.00 0.00 O ATOM 0 H ASP A 36 4.983 -22.104 12.829 1.00 0.00 H new ATOM 0 HA ASP A 36 5.427 -19.427 13.918 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.237 -20.374 11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.000 -19.167 12.188 1.00 0.00 H new ATOM 495 N LYS A 37 3.234 -18.701 12.814 1.00 0.00 N ATOM 496 CA LYS A 37 2.147 -18.043 12.110 1.00 0.00 C ATOM 497 C LYS A 37 2.721 -16.976 11.177 1.00 0.00 C ATOM 498 O LYS A 37 2.499 -17.020 9.967 1.00 0.00 O ATOM 499 CB LYS A 37 1.116 -17.502 13.103 1.00 0.00 C ATOM 500 CG LYS A 37 0.330 -18.643 13.754 1.00 0.00 C ATOM 501 CD LYS A 37 0.543 -18.660 15.269 1.00 0.00 C ATOM 502 CE LYS A 37 -0.416 -17.696 15.969 1.00 0.00 C ATOM 503 NZ LYS A 37 -0.800 -18.220 17.298 1.00 0.00 N ATOM 0 H LYS A 37 3.224 -18.576 13.826 1.00 0.00 H new ATOM 0 HA LYS A 37 1.610 -18.757 11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.619 -16.917 13.873 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.429 -16.829 12.589 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.732 -18.530 13.534 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.645 -19.596 13.328 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.391 -19.670 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.572 -18.385 15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.057 -16.720 16.079 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.307 -17.552 15.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.451 -17.553 17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.270 -19.141 17.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.051 -18.335 17.885 1.00 0.00 H new ATOM 517 N LYS A 38 3.447 -16.042 11.773 1.00 0.00 N ATOM 518 CA LYS A 38 4.054 -14.965 11.010 1.00 0.00 C ATOM 519 C LYS A 38 4.632 -15.529 9.711 1.00 0.00 C ATOM 520 O LYS A 38 4.117 -15.257 8.628 1.00 0.00 O ATOM 521 CB LYS A 38 5.078 -14.214 11.864 1.00 0.00 C ATOM 522 CG LYS A 38 4.688 -12.743 12.020 1.00 0.00 C ATOM 523 CD LYS A 38 4.031 -12.491 13.379 1.00 0.00 C ATOM 524 CE LYS A 38 5.085 -12.251 14.461 1.00 0.00 C ATOM 525 NZ LYS A 38 5.236 -13.451 15.314 1.00 0.00 N ATOM 0 H LYS A 38 3.629 -16.009 12.776 1.00 0.00 H new ATOM 0 HA LYS A 38 3.303 -14.226 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.150 -14.681 12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.063 -14.286 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.573 -12.116 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.002 -12.458 11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.370 -11.627 13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.412 -13.346 13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.040 -12.005 13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.798 -11.396 15.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.692 -13.185 16.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.299 -13.858 15.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.823 -14.155 14.823 1.00 0.00 H new ATOM 539 N THR A 39 5.696 -16.305 9.862 1.00 0.00 N ATOM 540 CA THR A 39 6.350 -16.910 8.714 1.00 0.00 C ATOM 541 C THR A 39 5.312 -17.522 7.771 1.00 0.00 C ATOM 542 O THR A 39 5.296 -17.217 6.579 1.00 0.00 O ATOM 543 CB THR A 39 7.372 -17.924 9.233 1.00 0.00 C ATOM 544 OG1 THR A 39 8.160 -17.180 10.158 1.00 0.00 O ATOM 545 CG2 THR A 39 8.369 -18.353 8.155 1.00 0.00 C ATOM 0 H THR A 39 6.121 -16.528 10.762 1.00 0.00 H new ATOM 0 HA THR A 39 6.881 -16.165 8.122 1.00 0.00 H new ATOM 0 HB THR A 39 6.851 -18.801 9.616 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.848 -17.762 10.544 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.072 -19.073 8.575 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.832 -18.812 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.914 -17.480 7.796 1.00 0.00 H new ATOM 553 N CYS A 40 4.472 -18.374 8.339 1.00 0.00 N ATOM 554 CA CYS A 40 3.434 -19.031 7.563 1.00 0.00 C ATOM 555 C CYS A 40 2.731 -17.974 6.709 1.00 0.00 C ATOM 556 O CYS A 40 2.820 -18.003 5.483 1.00 0.00 O ATOM 557 CB CYS A 40 2.451 -19.787 8.460 1.00 0.00 C ATOM 558 SG CYS A 40 1.274 -20.867 7.568 1.00 0.00 S ATOM 0 H CYS A 40 4.489 -18.625 9.328 1.00 0.00 H new ATOM 0 HA CYS A 40 3.882 -19.782 6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.018 -20.395 9.165 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.885 -19.063 9.047 1.00 0.00 H new ATOM 563 N ARG A 41 2.047 -17.067 7.391 1.00 0.00 N ATOM 564 CA ARG A 41 1.329 -16.003 6.710 1.00 0.00 C ATOM 565 C ARG A 41 2.235 -15.326 5.681 1.00 0.00 C ATOM 566 O ARG A 41 1.877 -15.218 4.509 1.00 0.00 O ATOM 567 CB ARG A 41 0.825 -14.955 7.704 1.00 0.00 C ATOM 568 CG ARG A 41 -0.091 -15.589 8.753 1.00 0.00 C ATOM 569 CD ARG A 41 -0.718 -14.521 9.651 1.00 0.00 C ATOM 570 NE ARG A 41 -0.029 -14.492 10.960 1.00 0.00 N ATOM 571 CZ ARG A 41 -0.119 -13.480 11.834 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.870 -12.409 11.544 1.00 0.00 N ATOM 573 NH2 ARG A 41 0.542 -13.539 12.998 1.00 0.00 N ATOM 0 H ARG A 41 1.975 -17.047 8.408 1.00 0.00 H new ATOM 0 HA ARG A 41 0.472 -16.451 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.673 -14.479 8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.286 -14.172 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.877 -16.160 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.478 -16.292 9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.648 -13.544 9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.778 -14.731 9.793 1.00 0.00 H new ATOM 0 HE ARG A 41 0.551 -15.292 11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.373 -12.364 10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.938 -11.639 12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.114 -14.354 13.219 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.473 -12.769 13.663 1.00 0.00 H new ATOM 587 N ARG A 42 3.392 -14.887 6.155 1.00 0.00 N ATOM 588 CA ARG A 42 4.352 -14.222 5.291 1.00 0.00 C ATOM 589 C ARG A 42 4.534 -15.013 3.994 1.00 0.00 C ATOM 590 O ARG A 42 4.402 -14.461 2.902 1.00 0.00 O ATOM 591 CB ARG A 42 5.708 -14.075 5.984 1.00 0.00 C ATOM 592 CG ARG A 42 5.785 -12.760 6.763 1.00 0.00 C ATOM 593 CD ARG A 42 6.491 -12.959 8.106 1.00 0.00 C ATOM 594 NE ARG A 42 7.395 -11.818 8.376 1.00 0.00 N ATOM 595 CZ ARG A 42 6.977 -10.563 8.590 1.00 0.00 C ATOM 596 NH1 ARG A 42 5.668 -10.280 8.567 1.00 0.00 N ATOM 597 NH2 ARG A 42 7.869 -9.591 8.827 1.00 0.00 N ATOM 0 H ARG A 42 3.686 -14.979 7.127 1.00 0.00 H new ATOM 0 HA ARG A 42 3.963 -13.229 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.867 -14.914 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.506 -14.110 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.320 -12.015 6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.780 -12.373 6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.754 -13.047 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.059 -13.889 8.093 1.00 0.00 H new ATOM 0 HE ARG A 42 8.399 -11.998 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.989 -11.020 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.350 -9.325 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.866 -9.807 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.551 -8.636 8.990 1.00 0.00 H new ATOM 611 N ASN A 43 4.835 -16.293 4.156 1.00 0.00 N ATOM 612 CA ASN A 43 5.036 -17.166 3.011 1.00 0.00 C ATOM 613 C ASN A 43 3.690 -17.431 2.334 1.00 0.00 C ATOM 614 O ASN A 43 3.642 -17.774 1.154 1.00 0.00 O ATOM 615 CB ASN A 43 5.623 -18.512 3.441 1.00 0.00 C ATOM 616 CG ASN A 43 7.133 -18.553 3.202 1.00 0.00 C ATOM 617 OD1 ASN A 43 7.619 -18.355 2.100 1.00 0.00 O ATOM 618 ND2 ASN A 43 7.847 -18.821 4.292 1.00 0.00 N ATOM 0 H ASN A 43 4.945 -16.747 5.063 1.00 0.00 H new ATOM 0 HA ASN A 43 5.728 -16.673 2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.414 -18.683 4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.141 -19.317 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.864 -18.871 4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.377 -18.977 5.184 1.00 0.00 H new ATOM 625 N CYS A 44 2.630 -17.262 3.111 1.00 0.00 N ATOM 626 CA CYS A 44 1.287 -17.479 2.601 1.00 0.00 C ATOM 627 C CYS A 44 0.892 -16.266 1.756 1.00 0.00 C ATOM 628 O CYS A 44 0.017 -16.362 0.896 1.00 0.00 O ATOM 629 CB CYS A 44 0.288 -17.736 3.731 1.00 0.00 C ATOM 630 SG CYS A 44 -1.166 -18.742 3.256 1.00 0.00 S ATOM 0 H CYS A 44 2.674 -16.977 4.090 1.00 0.00 H new ATOM 0 HA CYS A 44 1.272 -18.374 1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.807 -18.236 4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.061 -16.777 4.114 1.00 0.00 H new ATOM 635 N LYS A 45 1.556 -15.153 2.030 1.00 0.00 N ATOM 636 CA LYS A 45 1.285 -13.923 1.305 1.00 0.00 C ATOM 637 C LYS A 45 1.901 -14.014 -0.093 1.00 0.00 C ATOM 638 O LYS A 45 1.225 -13.763 -1.090 1.00 0.00 O ATOM 639 CB LYS A 45 1.762 -12.711 2.109 1.00 0.00 C ATOM 640 CG LYS A 45 1.752 -11.445 1.250 1.00 0.00 C ATOM 641 CD LYS A 45 3.144 -11.157 0.682 1.00 0.00 C ATOM 642 CE LYS A 45 3.836 -10.041 1.467 1.00 0.00 C ATOM 643 NZ LYS A 45 5.012 -10.570 2.192 1.00 0.00 N ATOM 0 H LYS A 45 2.281 -15.077 2.744 1.00 0.00 H new ATOM 0 HA LYS A 45 0.212 -13.787 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.119 -12.570 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.769 -12.892 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.039 -11.561 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.417 -10.598 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.750 -12.062 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.061 -10.871 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.147 -9.249 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.135 -9.597 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.470 -9.800 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.707 -11.310 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.687 -10.973 1.511 1.00 0.00 H new ATOM 657 N LYS A 46 3.176 -14.372 -0.121 1.00 0.00 N ATOM 658 CA LYS A 46 3.890 -14.499 -1.380 1.00 0.00 C ATOM 659 C LYS A 46 3.549 -15.846 -2.022 1.00 0.00 C ATOM 660 O LYS A 46 3.952 -16.119 -3.151 1.00 0.00 O ATOM 661 CB LYS A 46 5.389 -14.280 -1.171 1.00 0.00 C ATOM 662 CG LYS A 46 5.724 -12.788 -1.123 1.00 0.00 C ATOM 663 CD LYS A 46 6.404 -12.337 -2.417 1.00 0.00 C ATOM 664 CE LYS A 46 6.133 -10.856 -2.692 1.00 0.00 C ATOM 665 NZ LYS A 46 7.283 -10.030 -2.260 1.00 0.00 N ATOM 0 H LYS A 46 3.733 -14.578 0.708 1.00 0.00 H new ATOM 0 HA LYS A 46 3.572 -13.724 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.704 -14.757 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.946 -14.755 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.812 -12.212 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.378 -12.586 -0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.478 -12.507 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.041 -12.938 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.949 -10.705 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.233 -10.541 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.083 -9.028 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.441 -10.161 -1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.134 -10.320 -2.782 1.00 0.00 H new ATOM 679 N ALA A 47 2.810 -16.651 -1.273 1.00 0.00 N ATOM 680 CA ALA A 47 2.410 -17.963 -1.754 1.00 0.00 C ATOM 681 C ALA A 47 1.479 -17.798 -2.957 1.00 0.00 C ATOM 682 O ALA A 47 1.800 -18.237 -4.060 1.00 0.00 O ATOM 683 CB ALA A 47 1.757 -18.747 -0.615 1.00 0.00 C ATOM 0 H ALA A 47 2.478 -16.420 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 47 3.279 -18.532 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.457 -19.731 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.469 -18.862 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.879 -18.208 -0.259 1.00 0.00 H new ATOM 689 N ASP A 48 0.344 -17.163 -2.704 1.00 0.00 N ATOM 690 CA ASP A 48 -0.636 -16.935 -3.752 1.00 0.00 C ATOM 691 C ASP A 48 -0.891 -15.432 -3.888 1.00 0.00 C ATOM 692 O ASP A 48 -1.161 -14.941 -4.982 1.00 0.00 O ATOM 693 CB ASP A 48 -1.967 -17.612 -3.419 1.00 0.00 C ATOM 694 CG ASP A 48 -2.952 -17.711 -4.585 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.509 -17.454 -5.726 1.00 0.00 O ATOM 696 OD2 ASP A 48 -4.125 -18.043 -4.311 1.00 0.00 O ATOM 0 H ASP A 48 0.081 -16.799 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.241 -17.352 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.764 -18.617 -3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.443 -17.063 -2.606 1.00 0.00 H new ATOM 701 N CYS A 49 -0.795 -14.744 -2.759 1.00 0.00 N ATOM 702 CA CYS A 49 -1.012 -13.307 -2.739 1.00 0.00 C ATOM 703 C CYS A 49 0.271 -12.621 -3.212 1.00 0.00 C ATOM 704 O CYS A 49 0.797 -11.741 -2.532 1.00 0.00 O ATOM 705 CB CYS A 49 -1.441 -12.820 -1.353 1.00 0.00 C ATOM 706 SG CYS A 49 -2.366 -14.048 -0.361 1.00 0.00 S ATOM 0 H CYS A 49 -0.570 -15.155 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.830 -13.050 -3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.552 -12.520 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.059 -11.930 -1.471 1.00 0.00 H new ATOM 711 N GLU A 50 0.739 -13.050 -4.375 1.00 0.00 N ATOM 712 CA GLU A 50 1.950 -12.488 -4.948 1.00 0.00 C ATOM 713 C GLU A 50 1.632 -11.192 -5.697 1.00 0.00 C ATOM 714 O GLU A 50 2.238 -10.155 -5.436 1.00 0.00 O ATOM 715 CB GLU A 50 2.642 -13.497 -5.867 1.00 0.00 C ATOM 716 CG GLU A 50 4.031 -13.859 -5.337 1.00 0.00 C ATOM 717 CD GLU A 50 5.081 -13.771 -6.446 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.309 -12.638 -6.922 1.00 0.00 O ATOM 719 OE2 GLU A 50 5.632 -14.838 -6.792 1.00 0.00 O ATOM 0 H GLU A 50 0.301 -13.781 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 50 2.638 -12.255 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.034 -14.398 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.729 -13.080 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.300 -13.186 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.015 -14.868 -4.925 1.00 0.00 H new ATOM 726 N PRO A 51 0.656 -11.298 -6.638 1.00 0.00 N ATOM 727 CA PRO A 51 0.249 -10.147 -7.427 1.00 0.00 C ATOM 728 C PRO A 51 -0.606 -9.188 -6.598 1.00 0.00 C ATOM 729 O PRO A 51 -0.545 -7.974 -6.786 1.00 0.00 O ATOM 730 CB PRO A 51 -0.496 -10.730 -8.617 1.00 0.00 C ATOM 731 CG PRO A 51 -0.882 -12.144 -8.216 1.00 0.00 C ATOM 732 CD PRO A 51 -0.084 -12.510 -6.975 1.00 0.00 C ATOM 0 HA PRO A 51 1.094 -9.545 -7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.379 -10.136 -8.854 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.133 -10.735 -9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.951 -12.205 -8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.670 -12.842 -9.026 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.739 -12.814 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.590 -13.344 -7.170 1.00 0.00 H new ATOM 740 N GLN A 52 -1.385 -9.769 -5.697 1.00 0.00 N ATOM 741 CA GLN A 52 -2.252 -8.981 -4.837 1.00 0.00 C ATOM 742 C GLN A 52 -1.417 -8.091 -3.913 1.00 0.00 C ATOM 743 O GLN A 52 -1.638 -6.883 -3.843 1.00 0.00 O ATOM 744 CB GLN A 52 -3.190 -9.881 -4.031 1.00 0.00 C ATOM 745 CG GLN A 52 -3.955 -10.837 -4.948 1.00 0.00 C ATOM 746 CD GLN A 52 -4.841 -11.785 -4.137 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.655 -11.374 -3.326 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.637 -13.072 -4.399 1.00 0.00 N ATOM 0 H GLN A 52 -1.434 -10.776 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.869 -8.340 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.615 -10.453 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.895 -9.268 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.569 -10.265 -5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.250 -11.415 -5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.939 -13.347 -5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.178 -13.784 -3.909 1.00 0.00 H new ATOM 757 N ASP A 53 -0.476 -8.723 -3.228 1.00 0.00 N ATOM 758 CA ASP A 53 0.393 -8.005 -2.312 1.00 0.00 C ATOM 759 C ASP A 53 1.042 -6.830 -3.046 1.00 0.00 C ATOM 760 O ASP A 53 1.322 -5.795 -2.444 1.00 0.00 O ATOM 761 CB ASP A 53 1.509 -8.909 -1.787 1.00 0.00 C ATOM 762 CG ASP A 53 2.285 -8.353 -0.591 1.00 0.00 C ATOM 763 OD1 ASP A 53 3.290 -7.653 -0.842 1.00 0.00 O ATOM 764 OD2 ASP A 53 1.855 -8.640 0.547 1.00 0.00 O ATOM 0 H ASP A 53 -0.296 -9.725 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.213 -7.659 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.076 -9.869 -1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.211 -9.102 -2.598 1.00 0.00 H new ATOM 769 N LYS A 54 1.263 -7.031 -4.337 1.00 0.00 N ATOM 770 CA LYS A 54 1.875 -6.001 -5.161 1.00 0.00 C ATOM 771 C LYS A 54 0.873 -4.864 -5.375 1.00 0.00 C ATOM 772 O LYS A 54 1.115 -3.733 -4.958 1.00 0.00 O ATOM 773 CB LYS A 54 2.410 -6.603 -6.462 1.00 0.00 C ATOM 774 CG LYS A 54 3.811 -7.183 -6.262 1.00 0.00 C ATOM 775 CD LYS A 54 4.560 -7.280 -7.592 1.00 0.00 C ATOM 776 CE LYS A 54 5.916 -7.964 -7.410 1.00 0.00 C ATOM 777 NZ LYS A 54 6.133 -8.975 -8.469 1.00 0.00 N ATOM 0 H LYS A 54 1.030 -7.891 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 54 2.741 -5.573 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.735 -7.385 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.437 -5.837 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.372 -6.556 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.738 -8.172 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.961 -7.839 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.705 -6.282 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.712 -7.220 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.961 -8.440 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.058 -9.430 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.383 -9.694 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.111 -8.513 -9.400 1.00 0.00 H new ATOM 791 N VAL A 55 -0.230 -5.205 -6.025 1.00 0.00 N ATOM 792 CA VAL A 55 -1.268 -4.227 -6.300 1.00 0.00 C ATOM 793 C VAL A 55 -1.440 -3.316 -5.083 1.00 0.00 C ATOM 794 O VAL A 55 -1.299 -2.098 -5.190 1.00 0.00 O ATOM 795 CB VAL A 55 -2.563 -4.937 -6.702 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.735 -3.956 -6.748 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.399 -5.660 -8.041 1.00 0.00 C ATOM 0 H VAL A 55 -0.427 -6.145 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.984 -3.596 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.784 -5.686 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.642 -4.487 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.873 -3.508 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.526 -3.173 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.333 -6.156 -8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.142 -4.937 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.605 -6.402 -7.959 1.00 0.00 H new ATOM 807 N CYS A 56 -1.741 -3.940 -3.954 1.00 0.00 N ATOM 808 CA CYS A 56 -1.933 -3.200 -2.718 1.00 0.00 C ATOM 809 C CYS A 56 -0.854 -2.118 -2.634 1.00 0.00 C ATOM 810 O CYS A 56 -1.164 -0.928 -2.617 1.00 0.00 O ATOM 811 CB CYS A 56 -1.913 -4.123 -1.498 1.00 0.00 C ATOM 812 SG CYS A 56 -2.307 -3.303 0.090 1.00 0.00 S ATOM 0 H CYS A 56 -1.857 -4.950 -3.869 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.917 -2.731 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.626 -4.932 -1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.926 -4.579 -1.421 1.00 0.00 H new ATOM 817 N ASP A 57 0.390 -2.571 -2.583 1.00 0.00 N ATOM 818 CA ASP A 57 1.516 -1.656 -2.500 1.00 0.00 C ATOM 819 C ASP A 57 1.292 -0.490 -3.465 1.00 0.00 C ATOM 820 O ASP A 57 1.457 0.670 -3.092 1.00 0.00 O ATOM 821 CB ASP A 57 2.820 -2.352 -2.894 1.00 0.00 C ATOM 822 CG ASP A 57 4.094 -1.671 -2.390 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.018 -1.058 -1.302 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.115 -1.777 -3.103 1.00 0.00 O ATOM 0 H ASP A 57 0.643 -3.559 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 57 1.591 -1.305 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.798 -3.374 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.866 -2.416 -3.981 1.00 0.00 H new ATOM 829 N ALA A 58 0.919 -0.839 -4.688 1.00 0.00 N ATOM 830 CA ALA A 58 0.671 0.164 -5.710 1.00 0.00 C ATOM 831 C ALA A 58 -0.109 1.329 -5.096 1.00 0.00 C ATOM 832 O ALA A 58 0.343 2.472 -5.135 1.00 0.00 O ATOM 833 CB ALA A 58 -0.068 -0.476 -6.886 1.00 0.00 C ATOM 0 H ALA A 58 0.783 -1.802 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 58 1.611 0.561 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.254 0.277 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.540 -1.278 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.018 -0.884 -6.540 1.00 0.00 H new ATOM 839 N CYS A 59 -1.266 0.998 -4.543 1.00 0.00 N ATOM 840 CA CYS A 59 -2.113 2.002 -3.921 1.00 0.00 C ATOM 841 C CYS A 59 -1.227 2.924 -3.081 1.00 0.00 C ATOM 842 O CYS A 59 -1.278 4.144 -3.229 1.00 0.00 O ATOM 843 CB CYS A 59 -3.227 1.366 -3.088 1.00 0.00 C ATOM 844 SG CYS A 59 -4.282 2.554 -2.182 1.00 0.00 S ATOM 0 H CYS A 59 -1.637 0.048 -4.512 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.615 2.586 -4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.859 0.770 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.778 0.680 -2.370 1.00 0.00 H new ATOM 849 N ARG A 60 -0.436 2.305 -2.217 1.00 0.00 N ATOM 850 CA ARG A 60 0.460 3.055 -1.352 1.00 0.00 C ATOM 851 C ARG A 60 1.450 3.866 -2.190 1.00 0.00 C ATOM 852 O ARG A 60 1.825 4.975 -1.813 1.00 0.00 O ATOM 853 CB ARG A 60 1.235 2.122 -0.420 1.00 0.00 C ATOM 854 CG ARG A 60 0.286 1.364 0.510 1.00 0.00 C ATOM 855 CD ARG A 60 1.064 0.604 1.587 1.00 0.00 C ATOM 856 NE ARG A 60 0.149 -0.277 2.346 1.00 0.00 N ATOM 857 CZ ARG A 60 0.549 -1.142 3.287 1.00 0.00 C ATOM 858 NH1 ARG A 60 1.849 -1.249 3.591 1.00 0.00 N ATOM 859 NH2 ARG A 60 -0.352 -1.902 3.925 1.00 0.00 N ATOM 0 H ARG A 60 -0.397 1.293 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.148 3.729 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.815 1.413 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.945 2.700 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.404 2.064 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.316 0.665 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.854 0.011 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.548 1.309 2.263 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.848 -0.222 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.535 -0.671 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.153 -1.908 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.342 -1.822 3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.047 -2.561 4.642 1.00 0.00 H new ATOM 873 N MET A 61 1.845 3.282 -3.312 1.00 0.00 N ATOM 874 CA MET A 61 2.785 3.937 -4.206 1.00 0.00 C ATOM 875 C MET A 61 2.125 5.112 -4.929 1.00 0.00 C ATOM 876 O MET A 61 2.719 6.183 -5.051 1.00 0.00 O ATOM 877 CB MET A 61 3.299 2.927 -5.235 1.00 0.00 C ATOM 878 CG MET A 61 3.894 3.639 -6.451 1.00 0.00 C ATOM 879 SD MET A 61 5.414 2.841 -6.942 1.00 0.00 S ATOM 880 CE MET A 61 4.771 1.624 -8.078 1.00 0.00 C ATOM 0 H MET A 61 1.531 2.362 -3.622 1.00 0.00 H new ATOM 0 HA MET A 61 3.616 4.320 -3.613 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.054 2.288 -4.777 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.483 2.278 -5.552 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.182 3.623 -7.276 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.083 4.686 -6.213 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.593 1.033 -8.482 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.076 0.968 -7.554 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.251 2.126 -8.894 1.00 0.00 H new ATOM 890 N LYS A 62 0.906 4.873 -5.390 1.00 0.00 N ATOM 891 CA LYS A 62 0.160 5.899 -6.098 1.00 0.00 C ATOM 892 C LYS A 62 -0.283 6.977 -5.107 1.00 0.00 C ATOM 893 O LYS A 62 -0.024 8.162 -5.316 1.00 0.00 O ATOM 894 CB LYS A 62 -0.995 5.275 -6.884 1.00 0.00 C ATOM 895 CG LYS A 62 -0.542 4.855 -8.284 1.00 0.00 C ATOM 896 CD LYS A 62 -0.674 3.342 -8.472 1.00 0.00 C ATOM 897 CE LYS A 62 0.475 2.793 -9.320 1.00 0.00 C ATOM 898 NZ LYS A 62 -0.047 1.926 -10.400 1.00 0.00 N ATOM 0 H LYS A 62 0.417 3.984 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 62 0.793 6.387 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.379 4.408 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.814 5.990 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.141 5.372 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.494 5.156 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.680 2.850 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.626 3.113 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.044 3.617 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.161 2.227 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.746 1.562 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.570 1.129 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.684 2.477 -11.010 1.00 0.00 H new ATOM 912 N CYS A 63 -0.942 6.529 -4.049 1.00 0.00 N ATOM 913 CA CYS A 63 -1.423 7.440 -3.025 1.00 0.00 C ATOM 914 C CYS A 63 -0.268 8.358 -2.618 1.00 0.00 C ATOM 915 O CYS A 63 -0.395 9.580 -2.668 1.00 0.00 O ATOM 916 CB CYS A 63 -2.004 6.689 -1.826 1.00 0.00 C ATOM 917 SG CYS A 63 -2.952 7.727 -0.655 1.00 0.00 S ATOM 0 H CYS A 63 -1.154 5.546 -3.879 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.240 8.040 -3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.654 5.894 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.188 6.209 -1.286 1.00 0.00 H new ATOM 922 N HIS A 64 0.832 7.733 -2.224 1.00 0.00 N ATOM 923 CA HIS A 64 2.008 8.478 -1.809 1.00 0.00 C ATOM 924 C HIS A 64 2.200 9.687 -2.727 1.00 0.00 C ATOM 925 O HIS A 64 2.260 10.823 -2.259 1.00 0.00 O ATOM 926 CB HIS A 64 3.238 7.569 -1.761 1.00 0.00 C ATOM 927 CG HIS A 64 4.549 8.313 -1.687 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.232 8.742 -2.812 1.00 0.00 N ATOM 929 CD2 HIS A 64 5.295 8.701 -0.613 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.338 9.358 -2.421 1.00 0.00 C ATOM 931 NE2 HIS A 64 6.375 9.331 -1.058 1.00 0.00 N ATOM 0 H HIS A 64 0.933 6.719 -2.183 1.00 0.00 H new ATOM 0 HA HIS A 64 1.866 8.854 -0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.157 6.910 -0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.242 6.934 -2.647 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.049 8.525 0.424 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.080 9.803 -3.068 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.112 9.730 -0.476 1.00 0.00 H new ATOM 939 N LYS A 65 2.293 9.401 -4.017 1.00 0.00 N ATOM 940 CA LYS A 65 2.477 10.450 -5.005 1.00 0.00 C ATOM 941 C LYS A 65 1.219 11.320 -5.060 1.00 0.00 C ATOM 942 O LYS A 65 1.306 12.546 -5.014 1.00 0.00 O ATOM 943 CB LYS A 65 2.870 9.851 -6.357 1.00 0.00 C ATOM 944 CG LYS A 65 4.067 10.591 -6.958 1.00 0.00 C ATOM 945 CD LYS A 65 4.899 9.660 -7.842 1.00 0.00 C ATOM 946 CE LYS A 65 5.875 8.834 -7.003 1.00 0.00 C ATOM 947 NZ LYS A 65 5.942 7.444 -7.504 1.00 0.00 N ATOM 0 H LYS A 65 2.244 8.457 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 65 3.303 11.101 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.115 8.796 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.024 9.904 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.717 11.440 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.690 10.992 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.239 8.995 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.451 10.247 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.866 9.287 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.559 8.836 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.609 6.897 -6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.999 7.009 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.265 7.446 -8.492 1.00 0.00 H new ATOM 961 N ALA A 66 0.080 10.651 -5.158 1.00 0.00 N ATOM 962 CA ALA A 66 -1.194 11.347 -5.219 1.00 0.00 C ATOM 963 C ALA A 66 -1.237 12.419 -4.129 1.00 0.00 C ATOM 964 O ALA A 66 -1.394 13.603 -4.423 1.00 0.00 O ATOM 965 CB ALA A 66 -2.335 10.337 -5.089 1.00 0.00 C ATOM 0 H ALA A 66 0.013 9.634 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.311 11.849 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.290 10.860 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.277 9.615 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.252 9.815 -4.136 1.00 0.00 H new ATOM 971 N CYS A 67 -1.096 11.966 -2.892 1.00 0.00 N ATOM 972 CA CYS A 67 -1.117 12.871 -1.756 1.00 0.00 C ATOM 973 C CYS A 67 -0.018 13.916 -1.953 1.00 0.00 C ATOM 974 O CYS A 67 -0.252 15.111 -1.778 1.00 0.00 O ATOM 975 CB CYS A 67 -0.960 12.121 -0.431 1.00 0.00 C ATOM 976 SG CYS A 67 -1.534 13.040 1.044 1.00 0.00 S ATOM 0 H CYS A 67 -0.967 10.983 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.085 13.369 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.510 11.182 -0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.091 11.866 -0.296 1.00 0.00 H new ATOM 981 N ARG A 68 1.159 13.428 -2.317 1.00 0.00 N ATOM 982 CA ARG A 68 2.296 14.305 -2.541 1.00 0.00 C ATOM 983 C ARG A 68 1.925 15.414 -3.528 1.00 0.00 C ATOM 984 O ARG A 68 2.246 16.580 -3.306 1.00 0.00 O ATOM 985 CB ARG A 68 3.494 13.526 -3.086 1.00 0.00 C ATOM 986 CG ARG A 68 4.645 14.468 -3.443 1.00 0.00 C ATOM 987 CD ARG A 68 5.009 14.353 -4.925 1.00 0.00 C ATOM 988 NE ARG A 68 4.237 15.338 -5.714 1.00 0.00 N ATOM 989 CZ ARG A 68 4.393 15.535 -7.030 1.00 0.00 C ATOM 990 NH1 ARG A 68 5.295 14.816 -7.713 1.00 0.00 N ATOM 991 NH2 ARG A 68 3.648 16.451 -7.664 1.00 0.00 N ATOM 0 H ARG A 68 1.350 12.437 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 68 2.569 14.744 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.829 12.802 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.194 12.962 -3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.363 15.496 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.516 14.232 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.077 14.524 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.800 13.345 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 68 3.542 15.903 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.862 14.119 -7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.414 14.966 -8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.962 16.999 -7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.767 16.601 -8.666 1.00 0.00 H new ATOM 1005 N ALA A 69 1.255 15.010 -4.597 1.00 0.00 N ATOM 1006 CA ALA A 69 0.837 15.954 -5.619 1.00 0.00 C ATOM 1007 C ALA A 69 -0.408 16.702 -5.138 1.00 0.00 C ATOM 1008 O ALA A 69 -0.742 17.762 -5.665 1.00 0.00 O ATOM 1009 CB ALA A 69 0.599 15.211 -6.935 1.00 0.00 C ATOM 0 H ALA A 69 0.991 14.041 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 69 1.617 16.694 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.285 15.920 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.521 14.722 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.179 14.461 -6.794 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.061 16.120 -4.143 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.262 16.717 -3.585 1.00 0.00 C ATOM 1017 C ALA A 70 -1.879 17.951 -2.765 1.00 0.00 C ATOM 1018 O ALA A 70 -2.132 19.081 -3.182 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.013 15.675 -2.754 1.00 0.00 C ATOM 0 H ALA A 70 -0.781 15.241 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.932 17.044 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.914 16.124 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.288 14.833 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.373 15.325 -1.944 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.276 17.693 -1.614 1.00 0.00 N ATOM 1026 CA ASN A 71 -0.856 18.769 -0.732 1.00 0.00 C ATOM 1027 C ASN A 71 0.441 19.381 -1.264 1.00 0.00 C ATOM 1028 O ASN A 71 0.449 20.520 -1.729 1.00 0.00 O ATOM 1029 CB ASN A 71 -0.588 18.249 0.682 1.00 0.00 C ATOM 1030 CG ASN A 71 -1.896 17.896 1.393 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -2.385 18.621 2.244 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.433 16.745 0.998 1.00 0.00 N ATOM 0 H ASN A 71 -1.068 16.755 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.655 19.509 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.053 17.369 0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.050 19.004 1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.307 16.421 1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.971 16.186 0.280 1.00 0.00 H new ATOM 1039 N CYS A 72 1.507 18.598 -1.178 1.00 0.00 N ATOM 1040 CA CYS A 72 2.807 19.050 -1.645 1.00 0.00 C ATOM 1041 C CYS A 72 2.734 19.235 -3.162 1.00 0.00 C ATOM 1042 O CYS A 72 1.683 19.032 -3.766 1.00 0.00 O ATOM 1043 CB CYS A 72 3.920 18.081 -1.241 1.00 0.00 C ATOM 1044 SG CYS A 72 3.827 17.481 0.485 1.00 0.00 S ATOM 0 H CYS A 72 1.497 17.654 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 72 3.055 20.002 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.895 17.222 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.882 18.573 -1.388 1.00 0.00 H new ATOM 1049 N ALA A 73 3.866 19.620 -3.733 1.00 0.00 N ATOM 1050 CA ALA A 73 3.944 19.835 -5.168 1.00 0.00 C ATOM 1051 C ALA A 73 5.284 20.490 -5.509 1.00 0.00 C ATOM 1052 O ALA A 73 5.994 20.032 -6.403 1.00 0.00 O ATOM 1053 CB ALA A 73 2.751 20.678 -5.624 1.00 0.00 C ATOM 0 H ALA A 73 4.736 19.789 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 73 3.895 18.886 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.810 20.839 -6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.824 20.156 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.768 21.640 -5.112 1.00 0.00 H new ATOM 1059 N SER A 74 5.590 21.552 -4.778 1.00 0.00 N ATOM 1060 CA SER A 74 6.833 22.275 -4.992 1.00 0.00 C ATOM 1061 C SER A 74 7.973 21.590 -4.236 1.00 0.00 C ATOM 1062 O SER A 74 9.091 21.500 -4.741 1.00 0.00 O ATOM 1063 CB SER A 74 6.704 23.734 -4.550 1.00 0.00 C ATOM 1064 OG SER A 74 7.601 24.587 -5.257 1.00 0.00 O ATOM 0 H SER A 74 4.999 21.929 -4.037 1.00 0.00 H new ATOM 0 HA SER A 74 7.056 22.265 -6.059 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.680 24.072 -4.710 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.901 23.808 -3.480 1.00 0.00 H new ATOM 0 HG SER A 74 7.487 25.510 -4.948 1.00 0.00 H new ATOM 1070 N GLU A 75 7.651 21.126 -3.038 1.00 0.00 N ATOM 1071 CA GLU A 75 8.635 20.452 -2.207 1.00 0.00 C ATOM 1072 C GLU A 75 9.272 19.292 -2.975 1.00 0.00 C ATOM 1073 O GLU A 75 10.389 18.879 -2.668 1.00 0.00 O ATOM 1074 CB GLU A 75 8.007 19.966 -0.899 1.00 0.00 C ATOM 1075 CG GLU A 75 7.393 21.130 -0.120 1.00 0.00 C ATOM 1076 CD GLU A 75 8.419 21.760 0.824 1.00 0.00 C ATOM 1077 OE1 GLU A 75 9.281 22.505 0.310 1.00 0.00 O ATOM 1078 OE2 GLU A 75 8.318 21.482 2.039 1.00 0.00 O ATOM 0 H GLU A 75 6.723 21.203 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 75 9.418 21.166 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.239 19.223 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.764 19.474 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.023 21.883 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.535 20.777 0.453 1.00 0.00 H new ATOM 1085 N CYS A 76 8.533 18.798 -3.957 1.00 0.00 N ATOM 1086 CA CYS A 76 9.012 17.693 -4.771 1.00 0.00 C ATOM 1087 C CYS A 76 9.410 18.243 -6.142 1.00 0.00 C ATOM 1088 O CYS A 76 8.550 18.556 -6.963 1.00 0.00 O ATOM 1089 CB CYS A 76 7.968 16.580 -4.884 1.00 0.00 C ATOM 1090 SG CYS A 76 8.079 15.290 -3.591 1.00 0.00 S ATOM 0 H CYS A 76 7.606 19.142 -4.208 1.00 0.00 H new ATOM 0 HA CYS A 76 9.882 17.239 -4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.975 17.028 -4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.067 16.106 -5.860 1.00 0.00 H new ATOM 1095 N PRO A 77 10.750 18.348 -6.352 1.00 0.00 N ATOM 1096 CA PRO A 77 11.273 18.855 -7.609 1.00 0.00 C ATOM 1097 C PRO A 77 11.145 17.808 -8.718 1.00 0.00 C ATOM 1098 O PRO A 77 10.688 16.693 -8.474 1.00 0.00 O ATOM 1099 CB PRO A 77 12.715 19.232 -7.312 1.00 0.00 C ATOM 1100 CG PRO A 77 13.083 18.496 -6.034 1.00 0.00 C ATOM 1101 CD PRO A 77 11.798 17.987 -5.402 1.00 0.00 C ATOM 0 HA PRO A 77 10.718 19.717 -7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.371 18.942 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.819 20.310 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 77 13.756 17.667 -6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.608 19.161 -5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.835 16.909 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.626 18.447 -4.429 1.00 0.00 H new ATOM 1109 N LYS A 78 11.558 18.205 -9.913 1.00 0.00 N ATOM 1110 CA LYS A 78 11.495 17.315 -11.060 1.00 0.00 C ATOM 1111 C LYS A 78 12.560 16.226 -10.913 1.00 0.00 C ATOM 1112 O LYS A 78 13.664 16.492 -10.441 1.00 0.00 O ATOM 1113 CB LYS A 78 11.605 18.111 -12.362 1.00 0.00 C ATOM 1114 CG LYS A 78 11.320 17.222 -13.574 1.00 0.00 C ATOM 1115 CD LYS A 78 9.848 16.806 -13.615 1.00 0.00 C ATOM 1116 CE LYS A 78 9.445 16.357 -15.021 1.00 0.00 C ATOM 1117 NZ LYS A 78 7.972 16.251 -15.128 1.00 0.00 N ATOM 0 H LYS A 78 11.937 19.131 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 78 10.528 16.813 -11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.902 18.944 -12.344 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.604 18.539 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.576 17.756 -14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.951 16.334 -13.535 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.675 15.995 -12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.221 17.641 -13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.819 17.068 -15.758 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.902 15.394 -15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.715 15.945 -16.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.623 15.556 -14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.542 17.178 -14.933 1.00 0.00 H new ATOM 1131 N HIS A 79 12.190 15.023 -11.327 1.00 0.00 N ATOM 1132 CA HIS A 79 13.099 13.892 -11.248 1.00 0.00 C ATOM 1133 C HIS A 79 13.072 13.310 -9.834 1.00 0.00 C ATOM 1134 O HIS A 79 12.853 12.113 -9.656 1.00 0.00 O ATOM 1135 CB HIS A 79 14.506 14.294 -11.697 1.00 0.00 C ATOM 1136 CG HIS A 79 15.144 13.322 -12.660 1.00 0.00 C ATOM 1137 ND1 HIS A 79 16.510 13.269 -12.877 1.00 0.00 N ATOM 1138 CD2 HIS A 79 14.590 12.366 -13.460 1.00 0.00 C ATOM 1139 CE1 HIS A 79 16.755 12.321 -13.769 1.00 0.00 C ATOM 1140 NE2 HIS A 79 15.564 11.763 -14.130 1.00 0.00 N ATOM 0 H HIS A 79 11.273 14.807 -11.718 1.00 0.00 H new ATOM 0 HA HIS A 79 12.772 13.109 -11.932 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.460 15.277 -12.166 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.143 14.390 -10.818 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.537 12.138 -13.535 1.00 0.00 H new ATOM 0 HE1 HIS A 79 17.728 12.039 -14.145 1.00 0.00 H new ATOM 0 HE2 HIS A 79 15.442 11.007 -14.804 1.00 0.00 H new ATOM 1148 N GLU A 80 13.297 14.184 -8.864 1.00 0.00 N ATOM 1149 CA GLU A 80 13.301 13.771 -7.470 1.00 0.00 C ATOM 1150 C GLU A 80 11.871 13.518 -6.988 1.00 0.00 C ATOM 1151 O GLU A 80 10.911 13.927 -7.639 1.00 0.00 O ATOM 1152 CB GLU A 80 14.000 14.811 -6.593 1.00 0.00 C ATOM 1153 CG GLU A 80 15.474 14.456 -6.390 1.00 0.00 C ATOM 1154 CD GLU A 80 16.307 14.857 -7.608 1.00 0.00 C ATOM 1155 OE1 GLU A 80 16.358 16.075 -7.885 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.875 13.937 -8.236 1.00 0.00 O ATOM 0 H GLU A 80 13.478 15.176 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 80 13.861 12.840 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.920 15.795 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.500 14.871 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.855 14.961 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.573 13.385 -6.214 1.00 0.00 H new ATOM 1163 N HIS A 81 11.774 12.846 -5.851 1.00 0.00 N ATOM 1164 CA HIS A 81 10.478 12.534 -5.273 1.00 0.00 C ATOM 1165 C HIS A 81 10.628 12.305 -3.768 1.00 0.00 C ATOM 1166 O HIS A 81 9.878 12.870 -2.973 1.00 0.00 O ATOM 1167 CB HIS A 81 9.835 11.346 -5.992 1.00 0.00 C ATOM 1168 CG HIS A 81 10.738 10.141 -6.116 1.00 0.00 C ATOM 1169 ND1 HIS A 81 10.502 8.955 -5.444 1.00 0.00 N ATOM 1170 CD2 HIS A 81 11.877 9.953 -6.842 1.00 0.00 C ATOM 1171 CE1 HIS A 81 11.462 8.098 -5.757 1.00 0.00 C ATOM 1172 NE2 HIS A 81 12.314 8.719 -6.623 1.00 0.00 N ATOM 0 H HIS A 81 12.573 12.508 -5.314 1.00 0.00 H new ATOM 0 HA HIS A 81 9.802 13.378 -5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.931 11.056 -5.456 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.528 11.661 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 81 12.344 10.684 -7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.554 7.086 -5.391 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.150 8.303 -7.035 1.00 0.00 H new ATOM 1180 N LYS A 82 11.602 11.476 -3.422 1.00 0.00 N ATOM 1181 CA LYS A 82 11.860 11.166 -2.026 1.00 0.00 C ATOM 1182 C LYS A 82 12.775 12.238 -1.431 1.00 0.00 C ATOM 1183 O LYS A 82 13.821 11.922 -0.866 1.00 0.00 O ATOM 1184 CB LYS A 82 12.406 9.744 -1.885 1.00 0.00 C ATOM 1185 CG LYS A 82 11.351 8.808 -1.292 1.00 0.00 C ATOM 1186 CD LYS A 82 11.992 7.787 -0.349 1.00 0.00 C ATOM 1187 CE LYS A 82 11.994 6.390 -0.974 1.00 0.00 C ATOM 1188 NZ LYS A 82 12.778 5.451 -0.141 1.00 0.00 N ATOM 0 H LYS A 82 12.222 11.010 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 82 10.932 11.185 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.720 9.373 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.290 9.752 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.606 9.391 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.828 8.289 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.014 8.089 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.447 7.766 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.971 6.029 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.416 6.435 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.769 4.508 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.759 5.789 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.358 5.395 0.809 1.00 0.00 H new ATOM 1202 N SER A 83 12.347 13.484 -1.577 1.00 0.00 N ATOM 1203 CA SER A 83 13.115 14.604 -1.061 1.00 0.00 C ATOM 1204 C SER A 83 12.722 14.883 0.391 1.00 0.00 C ATOM 1205 O SER A 83 11.540 14.859 0.733 1.00 0.00 O ATOM 1206 CB SER A 83 12.908 15.855 -1.917 1.00 0.00 C ATOM 1207 OG SER A 83 12.123 16.837 -1.246 1.00 0.00 O ATOM 0 H SER A 83 11.478 13.742 -2.045 1.00 0.00 H new ATOM 0 HA SER A 83 14.172 14.341 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.877 16.281 -2.177 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.421 15.578 -2.852 1.00 0.00 H new ATOM 0 HG SER A 83 11.637 17.374 -1.906 1.00 0.00 H new ATOM 1213 N ASP A 84 13.734 15.142 1.206 1.00 0.00 N ATOM 1214 CA ASP A 84 13.508 15.426 2.613 1.00 0.00 C ATOM 1215 C ASP A 84 12.528 16.593 2.743 1.00 0.00 C ATOM 1216 O ASP A 84 11.624 16.559 3.576 1.00 0.00 O ATOM 1217 CB ASP A 84 14.811 15.823 3.310 1.00 0.00 C ATOM 1218 CG ASP A 84 15.697 14.652 3.741 1.00 0.00 C ATOM 1219 OD1 ASP A 84 15.396 13.521 3.303 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.655 14.915 4.500 1.00 0.00 O ATOM 0 H ASP A 84 14.713 15.161 0.919 1.00 0.00 H new ATOM 0 HA ASP A 84 13.109 14.525 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.383 16.464 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.568 16.418 4.190 1.00 0.00 H new ATOM 1225 N THR A 85 12.739 17.598 1.905 1.00 0.00 N ATOM 1226 CA THR A 85 11.885 18.773 1.916 1.00 0.00 C ATOM 1227 C THR A 85 10.454 18.396 1.530 1.00 0.00 C ATOM 1228 O THR A 85 9.517 19.146 1.797 1.00 0.00 O ATOM 1229 CB THR A 85 12.509 19.819 0.990 1.00 0.00 C ATOM 1230 OG1 THR A 85 12.342 21.048 1.692 1.00 0.00 O ATOM 1231 CG2 THR A 85 11.706 20.014 -0.298 1.00 0.00 C ATOM 0 H THR A 85 13.489 17.622 1.214 1.00 0.00 H new ATOM 0 HA THR A 85 11.816 19.202 2.915 1.00 0.00 H new ATOM 0 HB THR A 85 13.528 19.522 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.721 21.781 1.163 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.192 20.766 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.657 19.071 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.697 20.344 -0.051 1.00 0.00 H new ATOM 1239 N CYS A 86 10.330 17.233 0.907 1.00 0.00 N ATOM 1240 CA CYS A 86 9.029 16.747 0.481 1.00 0.00 C ATOM 1241 C CYS A 86 8.480 15.824 1.572 1.00 0.00 C ATOM 1242 O CYS A 86 7.303 15.901 1.920 1.00 0.00 O ATOM 1243 CB CYS A 86 9.103 16.044 -0.876 1.00 0.00 C ATOM 1244 SG CYS A 86 7.556 16.092 -1.851 1.00 0.00 S ATOM 0 H CYS A 86 11.110 16.613 0.687 1.00 0.00 H new ATOM 0 HA CYS A 86 8.351 17.590 0.343 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.900 16.501 -1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.382 15.003 -0.715 1.00 0.00 H new ATOM 1249 N ARG A 87 9.359 14.974 2.080 1.00 0.00 N ATOM 1250 CA ARG A 87 8.978 14.038 3.124 1.00 0.00 C ATOM 1251 C ARG A 87 8.474 14.793 4.356 1.00 0.00 C ATOM 1252 O ARG A 87 7.581 14.319 5.056 1.00 0.00 O ATOM 1253 CB ARG A 87 10.157 13.150 3.526 1.00 0.00 C ATOM 1254 CG ARG A 87 10.559 12.220 2.379 1.00 0.00 C ATOM 1255 CD ARG A 87 11.197 10.936 2.912 1.00 0.00 C ATOM 1256 NE ARG A 87 10.155 10.047 3.472 1.00 0.00 N ATOM 1257 CZ ARG A 87 10.404 9.030 4.308 1.00 0.00 C ATOM 1258 NH1 ARG A 87 11.663 8.765 4.684 1.00 0.00 N ATOM 1259 NH2 ARG A 87 9.396 8.276 4.766 1.00 0.00 N ATOM 0 H ARG A 87 10.334 14.913 1.788 1.00 0.00 H new ATOM 0 HA ARG A 87 8.182 13.407 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.006 13.772 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.890 12.559 4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.681 11.973 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.260 12.732 1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.730 10.425 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.932 11.177 3.680 1.00 0.00 H new ATOM 0 HE ARG A 87 9.186 10.219 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.431 9.337 4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.853 7.991 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.438 8.476 4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.586 7.502 5.402 1.00 0.00 H new ATOM 1273 N ALA A 88 9.070 15.954 4.583 1.00 0.00 N ATOM 1274 CA ALA A 88 8.693 16.779 5.718 1.00 0.00 C ATOM 1275 C ALA A 88 7.318 17.399 5.458 1.00 0.00 C ATOM 1276 O ALA A 88 6.542 17.610 6.389 1.00 0.00 O ATOM 1277 CB ALA A 88 9.772 17.836 5.962 1.00 0.00 C ATOM 0 H ALA A 88 9.811 16.343 4.000 1.00 0.00 H new ATOM 0 HA ALA A 88 8.617 16.176 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.489 18.455 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.722 17.344 6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.874 18.463 5.076 1.00 0.00 H new ATOM 1283 N CYS A 89 7.059 17.674 4.188 1.00 0.00 N ATOM 1284 CA CYS A 89 5.792 18.266 3.794 1.00 0.00 C ATOM 1285 C CYS A 89 4.704 17.197 3.914 1.00 0.00 C ATOM 1286 O CYS A 89 3.735 17.372 4.650 1.00 0.00 O ATOM 1287 CB CYS A 89 5.858 18.858 2.385 1.00 0.00 C ATOM 1288 SG CYS A 89 4.231 19.188 1.614 1.00 0.00 S ATOM 0 H CYS A 89 7.705 17.498 3.419 1.00 0.00 H new ATOM 0 HA CYS A 89 5.556 19.099 4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 89 6.422 19.790 2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 89 6.416 18.175 1.745 1.00 0.00 H new ATOM 1293 N MET A 90 4.903 16.112 3.180 1.00 0.00 N ATOM 1294 CA MET A 90 3.951 15.014 3.195 1.00 0.00 C ATOM 1295 C MET A 90 3.754 14.478 4.615 1.00 0.00 C ATOM 1296 O MET A 90 2.719 13.889 4.922 1.00 0.00 O ATOM 1297 CB MET A 90 4.455 13.889 2.289 1.00 0.00 C ATOM 1298 CG MET A 90 5.485 13.021 3.015 1.00 0.00 C ATOM 1299 SD MET A 90 4.718 11.516 3.591 1.00 0.00 S ATOM 1300 CE MET A 90 4.242 10.793 2.030 1.00 0.00 C ATOM 0 H MET A 90 5.709 15.970 2.571 1.00 0.00 H new ATOM 0 HA MET A 90 2.992 15.384 2.831 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.616 13.272 1.968 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.901 14.314 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.311 12.784 2.344 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.906 13.570 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.320 9.708 2.093 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.213 11.070 1.799 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.902 11.159 1.243 1.00 0.00 H new ATOM 1310 N LYS A 91 4.765 14.701 5.442 1.00 0.00 N ATOM 1311 CA LYS A 91 4.716 14.248 6.822 1.00 0.00 C ATOM 1312 C LYS A 91 3.901 15.241 7.652 1.00 0.00 C ATOM 1313 O LYS A 91 3.618 14.992 8.823 1.00 0.00 O ATOM 1314 CB LYS A 91 6.130 14.012 7.358 1.00 0.00 C ATOM 1315 CG LYS A 91 6.127 13.913 8.885 1.00 0.00 C ATOM 1316 CD LYS A 91 7.290 13.052 9.381 1.00 0.00 C ATOM 1317 CE LYS A 91 8.252 13.872 10.242 1.00 0.00 C ATOM 1318 NZ LYS A 91 9.599 13.259 10.242 1.00 0.00 N ATOM 0 H LYS A 91 5.622 15.189 5.183 1.00 0.00 H new ATOM 0 HA LYS A 91 4.209 13.285 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.536 13.095 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.783 14.826 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.198 14.911 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.183 13.485 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.904 12.212 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.826 12.633 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.310 14.892 9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.874 13.933 11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.240 13.828 10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.541 12.294 10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.964 13.223 9.269 1.00 0.00 H new ATOM 1332 N THR A 92 3.545 16.346 7.013 1.00 0.00 N ATOM 1333 CA THR A 92 2.767 17.377 7.678 1.00 0.00 C ATOM 1334 C THR A 92 1.271 17.106 7.514 1.00 0.00 C ATOM 1335 O THR A 92 0.503 17.243 8.465 1.00 0.00 O ATOM 1336 CB THR A 92 3.204 18.733 7.119 1.00 0.00 C ATOM 1337 OG1 THR A 92 4.620 18.733 7.276 1.00 0.00 O ATOM 1338 CG2 THR A 92 2.733 19.903 7.984 1.00 0.00 C ATOM 0 H THR A 92 3.781 16.550 6.042 1.00 0.00 H new ATOM 0 HA THR A 92 2.949 17.378 8.753 1.00 0.00 H new ATOM 0 HB THR A 92 2.815 18.851 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.043 18.465 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.070 20.841 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.644 19.899 8.040 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.148 19.804 8.987 1.00 0.00 H new ATOM 1346 N ASN A 93 0.900 16.727 6.299 1.00 0.00 N ATOM 1347 CA ASN A 93 -0.491 16.435 5.998 1.00 0.00 C ATOM 1348 C ASN A 93 -0.630 14.955 5.634 1.00 0.00 C ATOM 1349 O ASN A 93 -1.424 14.236 6.238 1.00 0.00 O ATOM 1350 CB ASN A 93 -0.982 17.263 4.809 1.00 0.00 C ATOM 1351 CG ASN A 93 0.158 17.545 3.829 1.00 0.00 C ATOM 1352 OD1 ASN A 93 0.362 16.840 2.854 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.887 18.613 4.140 1.00 0.00 N ATOM 0 H ASN A 93 1.539 16.616 5.512 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.085 16.680 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.783 16.731 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.401 18.204 5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.671 18.885 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.662 19.160 4.971 1.00 0.00 H new ATOM 1360 N CYS A 94 0.154 14.546 4.648 1.00 0.00 N ATOM 1361 CA CYS A 94 0.128 13.165 4.196 1.00 0.00 C ATOM 1362 C CYS A 94 0.739 12.289 5.292 1.00 0.00 C ATOM 1363 O CYS A 94 1.792 11.686 5.094 1.00 0.00 O ATOM 1364 CB CYS A 94 0.852 12.994 2.859 1.00 0.00 C ATOM 1365 SG CYS A 94 0.236 14.066 1.510 1.00 0.00 S ATOM 0 H CYS A 94 0.811 15.146 4.149 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.902 12.857 4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.913 13.195 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.766 11.954 2.546 1.00 0.00 H new ATOM 1370 N LYS A 95 0.051 12.247 6.423 1.00 0.00 N ATOM 1371 CA LYS A 95 0.513 11.455 7.551 1.00 0.00 C ATOM 1372 C LYS A 95 1.983 11.776 7.825 1.00 0.00 C ATOM 1373 O LYS A 95 2.299 12.493 8.773 1.00 0.00 O ATOM 1374 CB LYS A 95 0.242 9.969 7.308 1.00 0.00 C ATOM 1375 CG LYS A 95 0.000 9.233 8.628 1.00 0.00 C ATOM 1376 CD LYS A 95 1.216 8.389 9.015 1.00 0.00 C ATOM 1377 CE LYS A 95 0.784 7.062 9.643 1.00 0.00 C ATOM 1378 NZ LYS A 95 1.699 5.973 9.235 1.00 0.00 N ATOM 0 H LYS A 95 -0.823 12.748 6.583 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.043 11.713 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.627 9.855 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.089 9.521 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.213 9.954 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.877 8.593 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.826 8.196 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.839 8.943 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.778 7.152 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.235 6.823 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.391 5.080 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.684 5.877 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.665 6.196 9.548 1.00 0.00 H new