USER MOD reduce.3.24.130724 H: found=0, std=0, add=332, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 331 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.467! USER MOD Single : A 13 GLN : amide:sc= -11.7! C(o=-12!,f=-19!) USER MOD Single : A 15 ASN : amide:sc= -5.29! C(o=-5.3!,f=-11!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 20 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.695 K(o=-0.69,f=-0.017) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.097 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 69 THR OG1 : rot -120:sc=-0.00668 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= 0.995 (180deg=0.309) USER MOD Single : A 78 ASN : amide:sc= -9.33! C(o=-9.3!,f=-23!) USER MOD Single : A 79 HIS : no HE2:sc= -18.4! C(o=-18!,f=-18!) USER MOD Single : A 80 THR OG1 : rot 179:sc= -3.39! USER MOD Single : A 83 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-7.8!) USER MOD Single : A 84 CYS SG : rot -45:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 123 N CYS A 10 1.762 3.872 7.722 1.00 0.00 N ATOM 124 CA CYS A 10 0.979 3.225 6.675 1.00 0.00 C ATOM 125 C CYS A 10 -0.458 2.980 7.127 1.00 0.00 C ATOM 126 O CYS A 10 -0.707 2.632 8.281 1.00 0.00 O ATOM 127 CB CYS A 10 1.636 1.905 6.269 1.00 0.00 C ATOM 128 SG CYS A 10 0.486 0.686 5.557 1.00 0.00 S ATOM 0 HA CYS A 10 0.950 3.893 5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.423 2.112 5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.116 1.467 7.144 1.00 0.00 H new ATOM 133 N THR A 11 -1.402 3.157 6.205 1.00 0.00 N ATOM 134 CA THR A 11 -2.812 2.949 6.503 1.00 0.00 C ATOM 135 C THR A 11 -3.640 3.103 5.242 1.00 0.00 C ATOM 136 O THR A 11 -3.134 2.926 4.138 1.00 0.00 O ATOM 137 CB THR A 11 -3.290 3.923 7.584 1.00 0.00 C ATOM 138 OG1 THR A 11 -4.698 4.070 7.551 1.00 0.00 O ATOM 139 CG2 THR A 11 -2.683 5.302 7.461 1.00 0.00 C ATOM 0 H THR A 11 -1.213 3.444 5.245 1.00 0.00 H new ATOM 0 HA THR A 11 -2.939 1.935 6.883 1.00 0.00 H new ATOM 0 HB THR A 11 -2.964 3.481 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.978 4.695 8.252 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.065 5.940 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.598 5.231 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.947 5.731 6.494 1.00 0.00 H new ATOM 147 N LEU A 12 -4.912 3.421 5.408 1.00 0.00 N ATOM 148 CA LEU A 12 -5.803 3.580 4.274 1.00 0.00 C ATOM 149 C LEU A 12 -5.969 5.028 3.882 1.00 0.00 C ATOM 150 O LEU A 12 -6.088 5.914 4.729 1.00 0.00 O ATOM 151 CB LEU A 12 -7.177 3.008 4.594 1.00 0.00 C ATOM 152 CG LEU A 12 -7.338 1.503 4.413 1.00 0.00 C ATOM 153 CD1 LEU A 12 -6.379 0.760 5.323 1.00 0.00 C ATOM 154 CD2 LEU A 12 -8.774 1.110 4.704 1.00 0.00 C ATOM 0 H LEU A 12 -5.350 3.574 6.316 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.350 3.041 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.420 3.257 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.912 3.509 3.964 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.102 1.234 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.504 -0.314 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.354 1.041 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.588 1.018 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.890 0.034 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.025 1.382 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.440 1.632 4.017 1.00 0.00 H new ATOM 166 N GLN A 13 -6.014 5.249 2.584 1.00 0.00 N ATOM 167 CA GLN A 13 -6.212 6.575 2.052 1.00 0.00 C ATOM 168 C GLN A 13 -7.523 6.627 1.334 1.00 0.00 C ATOM 169 O GLN A 13 -7.619 6.891 0.137 1.00 0.00 O ATOM 170 CB GLN A 13 -5.085 6.948 1.159 1.00 0.00 C ATOM 171 CG GLN A 13 -3.906 7.401 1.965 1.00 0.00 C ATOM 172 CD GLN A 13 -3.470 6.372 2.988 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.371 5.186 2.689 1.00 0.00 O ATOM 174 NE2 GLN A 13 -3.218 6.825 4.211 1.00 0.00 N ATOM 0 H GLN A 13 -5.915 4.520 1.877 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.234 7.299 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.805 6.095 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.397 7.743 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.074 7.617 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.155 8.332 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.313 7.820 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.930 6.178 4.945 1.00 0.00 H new ATOM 183 N GLU A 14 -8.507 6.328 2.128 1.00 0.00 N ATOM 184 CA GLU A 14 -9.903 6.265 1.714 1.00 0.00 C ATOM 185 C GLU A 14 -10.099 6.809 0.315 1.00 0.00 C ATOM 186 O GLU A 14 -9.545 7.842 -0.056 1.00 0.00 O ATOM 187 CB GLU A 14 -10.803 7.021 2.686 1.00 0.00 C ATOM 188 CG GLU A 14 -12.281 6.906 2.345 1.00 0.00 C ATOM 189 CD GLU A 14 -13.136 7.870 3.143 1.00 0.00 C ATOM 190 OE1 GLU A 14 -12.951 7.947 4.376 1.00 0.00 O ATOM 191 OE2 GLU A 14 -13.993 8.546 2.535 1.00 0.00 O ATOM 0 H GLU A 14 -8.371 6.112 3.116 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.182 5.211 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.638 6.641 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.519 8.073 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.421 7.096 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.616 5.886 2.534 1.00 0.00 H new ATOM 198 N ASN A 15 -10.890 6.090 -0.451 1.00 0.00 N ATOM 199 CA ASN A 15 -11.181 6.459 -1.820 1.00 0.00 C ATOM 200 C ASN A 15 -12.470 7.251 -1.945 1.00 0.00 C ATOM 201 O ASN A 15 -13.500 6.708 -2.343 1.00 0.00 O ATOM 202 CB ASN A 15 -11.273 5.220 -2.697 1.00 0.00 C ATOM 203 CG ASN A 15 -10.372 5.307 -3.900 1.00 0.00 C ATOM 204 OD1 ASN A 15 -10.742 5.852 -4.940 1.00 0.00 O ATOM 205 ND2 ASN A 15 -9.181 4.767 -3.758 1.00 0.00 N ATOM 0 H ASN A 15 -11.350 5.233 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.360 7.094 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.008 4.341 -2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.303 5.085 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.516 4.788 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.923 4.327 -2.875 1.00 0.00 H new ATOM 212 N PRO A 16 -12.429 8.561 -1.668 1.00 0.00 N ATOM 213 CA PRO A 16 -13.602 9.410 -1.823 1.00 0.00 C ATOM 214 C PRO A 16 -13.977 9.477 -3.292 1.00 0.00 C ATOM 215 O PRO A 16 -14.918 10.160 -3.697 1.00 0.00 O ATOM 216 CB PRO A 16 -13.139 10.773 -1.305 1.00 0.00 C ATOM 217 CG PRO A 16 -11.655 10.749 -1.459 1.00 0.00 C ATOM 218 CD PRO A 16 -11.241 9.319 -1.248 1.00 0.00 C ATOM 0 HA PRO A 16 -14.481 9.050 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.584 11.587 -1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.427 10.921 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.359 11.099 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.176 11.405 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.366 9.061 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.985 9.123 -0.207 1.00 0.00 H new ATOM 226 N PHE A 17 -13.204 8.735 -4.072 1.00 0.00 N ATOM 227 CA PHE A 17 -13.371 8.636 -5.507 1.00 0.00 C ATOM 228 C PHE A 17 -14.324 7.504 -5.849 1.00 0.00 C ATOM 229 O PHE A 17 -15.347 7.702 -6.504 1.00 0.00 O ATOM 230 CB PHE A 17 -12.011 8.358 -6.153 1.00 0.00 C ATOM 231 CG PHE A 17 -11.924 8.823 -7.575 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.159 10.148 -7.895 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.614 7.935 -8.591 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.085 10.583 -9.203 1.00 0.00 C ATOM 235 CE2 PHE A 17 -11.538 8.362 -9.902 1.00 0.00 C ATOM 236 CZ PHE A 17 -11.774 9.688 -10.210 1.00 0.00 C ATOM 0 H PHE A 17 -12.430 8.176 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.782 9.573 -5.882 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.232 8.849 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.811 7.287 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.403 10.851 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.430 6.897 -8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.270 11.621 -9.439 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.294 7.660 -10.686 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.716 10.025 -11.235 1.00 0.00 H new ATOM 246 N PHE A 18 -13.960 6.312 -5.401 1.00 0.00 N ATOM 247 CA PHE A 18 -14.749 5.121 -5.646 1.00 0.00 C ATOM 248 C PHE A 18 -15.984 5.087 -4.751 1.00 0.00 C ATOM 249 O PHE A 18 -17.031 4.573 -5.145 1.00 0.00 O ATOM 250 CB PHE A 18 -13.881 3.885 -5.412 1.00 0.00 C ATOM 251 CG PHE A 18 -12.597 3.908 -6.194 1.00 0.00 C ATOM 252 CD1 PHE A 18 -12.524 4.599 -7.389 1.00 0.00 C ATOM 253 CD2 PHE A 18 -11.470 3.240 -5.740 1.00 0.00 C ATOM 254 CE1 PHE A 18 -11.352 4.626 -8.121 1.00 0.00 C ATOM 255 CE2 PHE A 18 -10.294 3.262 -6.468 1.00 0.00 C ATOM 256 CZ PHE A 18 -10.236 3.957 -7.661 1.00 0.00 C ATOM 0 H PHE A 18 -13.112 6.146 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.093 5.132 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.651 3.806 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.448 2.994 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.394 5.124 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.511 2.696 -4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.310 5.170 -9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.423 2.737 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.320 3.977 -8.232 1.00 0.00 H new ATOM 266 N SER A 19 -15.848 5.638 -3.546 1.00 0.00 N ATOM 267 CA SER A 19 -16.939 5.684 -2.578 1.00 0.00 C ATOM 268 C SER A 19 -18.271 5.329 -3.222 1.00 0.00 C ATOM 269 O SER A 19 -18.681 5.936 -4.212 1.00 0.00 O ATOM 270 CB SER A 19 -17.024 7.070 -1.938 1.00 0.00 C ATOM 271 OG SER A 19 -18.106 7.813 -2.472 1.00 0.00 O ATOM 0 H SER A 19 -14.982 6.063 -3.216 1.00 0.00 H new ATOM 0 HA SER A 19 -16.727 4.943 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.145 6.969 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.091 7.609 -2.105 1.00 0.00 H new ATOM 0 HG SER A 19 -18.140 8.695 -2.045 1.00 0.00 H new ATOM 277 N GLN A 20 -18.938 4.341 -2.649 1.00 0.00 N ATOM 278 CA GLN A 20 -20.229 3.893 -3.155 1.00 0.00 C ATOM 279 C GLN A 20 -21.365 4.490 -2.334 1.00 0.00 C ATOM 280 O GLN A 20 -21.135 5.293 -1.429 1.00 0.00 O ATOM 281 CB GLN A 20 -20.314 2.366 -3.128 1.00 0.00 C ATOM 282 CG GLN A 20 -18.961 1.678 -3.049 1.00 0.00 C ATOM 283 CD GLN A 20 -19.083 0.181 -2.844 1.00 0.00 C ATOM 284 OE1 GLN A 20 -19.502 -0.550 -3.742 1.00 0.00 O ATOM 285 NE2 GLN A 20 -18.720 -0.282 -1.653 1.00 0.00 N ATOM 0 H GLN A 20 -18.607 3.831 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.326 4.234 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -20.917 2.060 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -20.833 2.024 -4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.404 1.872 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.385 2.108 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.378 0.361 -0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.783 -1.280 -1.453 1.00 0.00 H new ATOM 294 N PRO A 21 -22.611 4.102 -2.636 1.00 0.00 N ATOM 295 CA PRO A 21 -23.787 4.598 -1.921 1.00 0.00 C ATOM 296 C PRO A 21 -23.789 4.163 -0.460 1.00 0.00 C ATOM 297 O PRO A 21 -24.684 3.442 -0.019 1.00 0.00 O ATOM 298 CB PRO A 21 -24.971 3.967 -2.667 1.00 0.00 C ATOM 299 CG PRO A 21 -24.411 3.474 -3.960 1.00 0.00 C ATOM 300 CD PRO A 21 -22.970 3.148 -3.694 1.00 0.00 C ATOM 0 HA PRO A 21 -23.820 5.687 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -25.407 3.150 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -25.763 4.697 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -24.952 2.594 -4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -24.502 4.232 -4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -22.842 2.116 -3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -22.354 3.280 -4.584 1.00 0.00 H new ATOM 308 N GLY A 22 -22.780 4.602 0.285 1.00 0.00 N ATOM 309 CA GLY A 22 -22.688 4.243 1.686 1.00 0.00 C ATOM 310 C GLY A 22 -21.388 3.548 2.027 1.00 0.00 C ATOM 311 O GLY A 22 -21.343 2.724 2.941 1.00 0.00 O ATOM 0 H GLY A 22 -22.026 5.199 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.785 5.142 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.522 3.591 1.945 1.00 0.00 H new ATOM 315 N ALA A 23 -20.327 3.871 1.298 1.00 0.00 N ATOM 316 CA ALA A 23 -19.034 3.256 1.547 1.00 0.00 C ATOM 317 C ALA A 23 -17.901 4.074 0.962 1.00 0.00 C ATOM 318 O ALA A 23 -17.914 4.451 -0.209 1.00 0.00 O ATOM 319 CB ALA A 23 -19.016 1.839 1.003 1.00 0.00 C ATOM 0 H ALA A 23 -20.338 4.550 0.536 1.00 0.00 H new ATOM 0 HA ALA A 23 -18.881 3.221 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -18.043 1.388 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -19.792 1.251 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -19.201 1.859 -0.071 1.00 0.00 H new ATOM 325 N PRO A 24 -16.907 4.359 1.805 1.00 0.00 N ATOM 326 CA PRO A 24 -15.735 5.135 1.456 1.00 0.00 C ATOM 327 C PRO A 24 -14.554 4.263 1.083 1.00 0.00 C ATOM 328 O PRO A 24 -13.758 3.860 1.931 1.00 0.00 O ATOM 329 CB PRO A 24 -15.473 5.882 2.755 1.00 0.00 C ATOM 330 CG PRO A 24 -15.951 4.964 3.843 1.00 0.00 C ATOM 331 CD PRO A 24 -16.853 3.941 3.208 1.00 0.00 C ATOM 0 HA PRO A 24 -15.882 5.772 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.414 6.111 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.008 6.831 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.107 4.479 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.487 5.524 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.452 2.933 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.843 3.939 3.665 1.00 0.00 H new ATOM 339 N ILE A 25 -14.461 3.978 -0.200 1.00 0.00 N ATOM 340 CA ILE A 25 -13.407 3.159 -0.739 1.00 0.00 C ATOM 341 C ILE A 25 -12.042 3.554 -0.210 1.00 0.00 C ATOM 342 O ILE A 25 -11.939 4.452 0.626 1.00 0.00 O ATOM 343 CB ILE A 25 -13.437 3.230 -2.250 1.00 0.00 C ATOM 344 CG1 ILE A 25 -14.795 2.761 -2.719 1.00 0.00 C ATOM 345 CG2 ILE A 25 -12.355 2.340 -2.802 1.00 0.00 C ATOM 346 CD1 ILE A 25 -15.245 1.562 -1.939 1.00 0.00 C ATOM 0 H ILE A 25 -15.123 4.314 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.581 2.132 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.265 4.249 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.521 3.566 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.753 2.515 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.368 2.384 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.385 2.677 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.528 1.314 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -16.225 1.243 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.529 0.751 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.309 1.819 -0.882 1.00 0.00 H new ATOM 358 N LEU A 26 -10.990 2.838 -0.632 1.00 0.00 N ATOM 359 CA LEU A 26 -9.657 3.112 -0.099 1.00 0.00 C ATOM 360 C LEU A 26 -8.507 2.609 -0.929 1.00 0.00 C ATOM 361 O LEU A 26 -8.625 2.254 -2.099 1.00 0.00 O ATOM 362 CB LEU A 26 -9.565 2.453 1.254 1.00 0.00 C ATOM 363 CG LEU A 26 -10.914 2.314 1.892 1.00 0.00 C ATOM 364 CD1 LEU A 26 -11.209 0.875 2.238 1.00 0.00 C ATOM 365 CD2 LEU A 26 -11.051 3.219 3.104 1.00 0.00 C ATOM 0 H LEU A 26 -11.036 2.087 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.559 4.197 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.108 1.469 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.914 3.040 1.902 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.658 2.635 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.194 0.806 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.190 0.271 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.456 0.507 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.041 3.093 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.292 2.957 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.918 4.257 2.800 1.00 0.00 H new ATOM 377 N GLN A 27 -7.386 2.598 -0.240 1.00 0.00 N ATOM 378 CA GLN A 27 -6.110 2.153 -0.783 1.00 0.00 C ATOM 379 C GLN A 27 -5.004 2.369 0.248 1.00 0.00 C ATOM 380 O GLN A 27 -4.470 3.471 0.382 1.00 0.00 O ATOM 381 CB GLN A 27 -5.789 2.903 -2.072 1.00 0.00 C ATOM 382 CG GLN A 27 -4.332 2.795 -2.491 1.00 0.00 C ATOM 383 CD GLN A 27 -4.167 2.601 -3.986 1.00 0.00 C ATOM 384 OE1 GLN A 27 -3.240 1.929 -4.438 1.00 0.00 O ATOM 385 NE2 GLN A 27 -5.066 3.194 -4.762 1.00 0.00 N ATOM 0 H GLN A 27 -7.330 2.903 0.732 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.176 1.090 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.419 2.517 -2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.045 3.955 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.802 3.697 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.868 1.959 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.818 3.742 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.005 3.102 -5.776 1.00 0.00 H new ATOM 394 N CYS A 28 -4.682 1.311 0.982 1.00 0.00 N ATOM 395 CA CYS A 28 -3.660 1.371 2.020 1.00 0.00 C ATOM 396 C CYS A 28 -2.421 2.108 1.520 1.00 0.00 C ATOM 397 O CYS A 28 -1.654 1.571 0.721 1.00 0.00 O ATOM 398 CB CYS A 28 -3.272 -0.040 2.478 1.00 0.00 C ATOM 399 SG CYS A 28 -4.235 -0.661 3.897 1.00 0.00 S ATOM 0 H CYS A 28 -5.117 0.395 0.876 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.076 1.917 2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.396 -0.728 1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.214 -0.046 2.741 1.00 0.00 H new ATOM 404 N MET A 29 -2.228 3.338 1.989 1.00 0.00 N ATOM 405 CA MET A 29 -1.075 4.134 1.573 1.00 0.00 C ATOM 406 C MET A 29 -0.347 4.734 2.773 1.00 0.00 C ATOM 407 O MET A 29 -0.963 5.065 3.787 1.00 0.00 O ATOM 408 CB MET A 29 -1.512 5.246 0.617 1.00 0.00 C ATOM 409 CG MET A 29 -1.419 4.859 -0.852 1.00 0.00 C ATOM 410 SD MET A 29 -2.456 5.886 -1.911 1.00 0.00 S ATOM 411 CE MET A 29 -1.466 5.954 -3.403 1.00 0.00 C ATOM 0 H MET A 29 -2.849 3.803 2.652 1.00 0.00 H new ATOM 0 HA MET A 29 -0.383 3.468 1.057 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.540 5.527 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.895 6.127 0.792 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.382 4.938 -1.179 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.711 3.815 -0.967 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.979 6.557 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.498 6.402 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.318 4.945 -3.788 1.00 0.00 H new ATOM 874 N CYS A 59 4.889 -5.232 3.716 1.00 0.00 N ATOM 875 CA CYS A 59 4.088 -4.476 2.755 1.00 0.00 C ATOM 876 C CYS A 59 2.655 -4.302 3.250 1.00 0.00 C ATOM 877 O CYS A 59 2.086 -5.203 3.865 1.00 0.00 O ATOM 878 CB CYS A 59 4.086 -5.189 1.401 1.00 0.00 C ATOM 879 SG CYS A 59 2.854 -4.551 0.220 1.00 0.00 S ATOM 0 HA CYS A 59 4.534 -3.488 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.077 -5.102 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.901 -6.251 1.563 1.00 0.00 H new ATOM 0 HG CYS A 59 2.934 -5.218 -0.893 1.00 0.00 H new ATOM 884 N CYS A 60 2.073 -3.139 2.971 1.00 0.00 N ATOM 885 CA CYS A 60 0.704 -2.850 3.386 1.00 0.00 C ATOM 886 C CYS A 60 -0.294 -3.599 2.511 1.00 0.00 C ATOM 887 O CYS A 60 -0.497 -3.252 1.347 1.00 0.00 O ATOM 888 CB CYS A 60 0.427 -1.348 3.313 1.00 0.00 C ATOM 889 SG CYS A 60 1.629 -0.325 4.219 1.00 0.00 S ATOM 0 H CYS A 60 2.528 -2.382 2.460 1.00 0.00 H new ATOM 0 HA CYS A 60 0.588 -3.183 4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.421 -1.041 2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.570 -1.154 3.708 1.00 0.00 H new ATOM 894 N VAL A 61 -0.915 -4.625 3.078 1.00 0.00 N ATOM 895 CA VAL A 61 -1.894 -5.421 2.352 1.00 0.00 C ATOM 896 C VAL A 61 -3.198 -5.528 3.131 1.00 0.00 C ATOM 897 O VAL A 61 -3.569 -6.611 3.580 1.00 0.00 O ATOM 898 CB VAL A 61 -1.367 -6.839 2.062 1.00 0.00 C ATOM 899 CG1 VAL A 61 -0.115 -6.779 1.203 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.099 -7.585 3.360 1.00 0.00 C ATOM 0 H VAL A 61 -0.757 -4.925 4.040 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.076 -4.910 1.406 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.131 -7.384 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.242 -7.790 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.346 -6.288 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.658 -6.215 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.727 -8.585 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.354 -7.044 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.023 -7.662 3.933 1.00 0.00 H new ATOM 910 N ALA A 62 -3.884 -4.395 3.283 1.00 0.00 N ATOM 911 CA ALA A 62 -5.156 -4.341 4.004 1.00 0.00 C ATOM 912 C ALA A 62 -5.438 -5.631 4.761 1.00 0.00 C ATOM 913 O ALA A 62 -5.701 -6.671 4.158 1.00 0.00 O ATOM 914 CB ALA A 62 -6.292 -4.054 3.038 1.00 0.00 C ATOM 0 H ALA A 62 -3.577 -3.495 2.913 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.082 -3.536 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.234 -4.016 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.119 -3.097 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.340 -4.843 2.288 1.00 0.00 H new ATOM 920 N LYS A 63 -5.410 -5.554 6.084 1.00 0.00 N ATOM 921 CA LYS A 63 -5.690 -6.712 6.909 1.00 0.00 C ATOM 922 C LYS A 63 -7.050 -7.268 6.542 1.00 0.00 C ATOM 923 O LYS A 63 -7.257 -8.479 6.489 1.00 0.00 O ATOM 924 CB LYS A 63 -5.669 -6.329 8.382 1.00 0.00 C ATOM 925 CG LYS A 63 -5.434 -7.510 9.296 1.00 0.00 C ATOM 926 CD LYS A 63 -5.569 -7.114 10.753 1.00 0.00 C ATOM 927 CE LYS A 63 -4.242 -6.646 11.323 1.00 0.00 C ATOM 928 NZ LYS A 63 -4.061 -7.078 12.735 1.00 0.00 N ATOM 0 H LYS A 63 -5.197 -4.703 6.604 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.925 -7.469 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.888 -5.587 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.617 -5.858 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.148 -8.300 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.439 -7.918 9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.309 -6.319 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.936 -7.963 11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.427 -7.040 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.186 -5.559 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.143 -6.739 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.824 -6.682 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.089 -8.116 12.787 1.00 0.00 H new ATOM 942 N SER A 64 -7.965 -6.354 6.261 1.00 0.00 N ATOM 943 CA SER A 64 -9.310 -6.712 5.861 1.00 0.00 C ATOM 944 C SER A 64 -9.753 -5.798 4.732 1.00 0.00 C ATOM 945 O SER A 64 -9.606 -4.579 4.816 1.00 0.00 O ATOM 946 CB SER A 64 -10.285 -6.622 7.038 1.00 0.00 C ATOM 947 OG SER A 64 -10.774 -7.904 7.391 1.00 0.00 O ATOM 0 H SER A 64 -7.795 -5.349 6.304 1.00 0.00 H new ATOM 0 HA SER A 64 -9.310 -7.746 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.785 -6.171 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.118 -5.970 6.776 1.00 0.00 H new ATOM 0 HG SER A 64 -11.393 -7.821 8.146 1.00 0.00 H new ATOM 953 N TYR A 65 -10.262 -6.387 3.663 1.00 0.00 N ATOM 954 CA TYR A 65 -10.684 -5.611 2.509 1.00 0.00 C ATOM 955 C TYR A 65 -12.161 -5.775 2.219 1.00 0.00 C ATOM 956 O TYR A 65 -12.759 -6.805 2.534 1.00 0.00 O ATOM 957 CB TYR A 65 -9.903 -6.061 1.275 1.00 0.00 C ATOM 958 CG TYR A 65 -9.617 -7.546 1.256 1.00 0.00 C ATOM 959 CD1 TYR A 65 -10.554 -8.448 0.767 1.00 0.00 C ATOM 960 CD2 TYR A 65 -8.411 -8.045 1.729 1.00 0.00 C ATOM 961 CE1 TYR A 65 -10.295 -9.806 0.749 1.00 0.00 C ATOM 962 CE2 TYR A 65 -8.144 -9.401 1.715 1.00 0.00 C ATOM 963 CZ TYR A 65 -9.090 -10.276 1.224 1.00 0.00 C ATOM 964 OH TYR A 65 -8.829 -11.627 1.209 1.00 0.00 O ATOM 0 H TYR A 65 -10.393 -7.394 3.570 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.489 -4.563 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.466 -5.795 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.960 -5.516 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.500 -8.082 0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.669 -7.362 2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.033 -10.495 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.200 -9.773 2.086 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.936 -11.792 1.577 1.00 0.00 H new ATOM 974 N ASN A 66 -12.734 -4.779 1.554 1.00 0.00 N ATOM 975 CA ASN A 66 -14.131 -4.860 1.155 1.00 0.00 C ATOM 976 C ASN A 66 -14.190 -4.591 -0.327 1.00 0.00 C ATOM 977 O ASN A 66 -15.184 -4.115 -0.874 1.00 0.00 O ATOM 978 CB ASN A 66 -15.002 -3.875 1.930 1.00 0.00 C ATOM 979 CG ASN A 66 -16.075 -4.561 2.749 1.00 0.00 C ATOM 980 OD1 ASN A 66 -15.893 -4.830 3.937 1.00 0.00 O ATOM 981 ND2 ASN A 66 -17.207 -4.845 2.115 1.00 0.00 N ATOM 0 H ASN A 66 -12.260 -3.918 1.283 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.525 -5.851 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.371 -3.281 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.471 -3.183 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.969 -5.304 2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.314 -4.604 1.130 1.00 0.00 H new ATOM 988 N ARG A 67 -13.066 -4.904 -0.935 1.00 0.00 N ATOM 989 CA ARG A 67 -12.836 -4.732 -2.361 1.00 0.00 C ATOM 990 C ARG A 67 -14.074 -4.211 -3.073 1.00 0.00 C ATOM 991 O ARG A 67 -15.137 -4.833 -3.056 1.00 0.00 O ATOM 992 CB ARG A 67 -12.373 -6.049 -2.966 1.00 0.00 C ATOM 993 CG ARG A 67 -11.082 -5.946 -3.764 1.00 0.00 C ATOM 994 CD ARG A 67 -10.768 -7.247 -4.485 1.00 0.00 C ATOM 995 NE ARG A 67 -11.382 -7.301 -5.808 1.00 0.00 N ATOM 996 CZ ARG A 67 -12.459 -8.026 -6.098 1.00 0.00 C ATOM 997 NH1 ARG A 67 -13.045 -8.763 -5.162 1.00 0.00 N ATOM 998 NH2 ARG A 67 -12.950 -8.015 -7.329 1.00 0.00 N ATOM 0 H ARG A 67 -12.263 -5.296 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 67 -12.055 -3.983 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.236 -6.776 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.159 -6.435 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.165 -5.137 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.259 -5.691 -3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.688 -7.356 -4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.121 -8.087 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.960 -6.750 -6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.670 -8.776 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.871 -9.316 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.502 -7.451 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.776 -8.570 -7.554 1.00 0.00 H new ATOM 1012 N VAL A 68 -13.912 -3.055 -3.692 1.00 0.00 N ATOM 1013 CA VAL A 68 -14.992 -2.400 -4.421 1.00 0.00 C ATOM 1014 C VAL A 68 -14.577 -2.113 -5.855 1.00 0.00 C ATOM 1015 O VAL A 68 -14.704 -0.986 -6.336 1.00 0.00 O ATOM 1016 CB VAL A 68 -15.398 -1.073 -3.747 1.00 0.00 C ATOM 1017 CG1 VAL A 68 -15.607 -1.262 -2.253 1.00 0.00 C ATOM 1018 CG2 VAL A 68 -14.346 -0.002 -3.998 1.00 0.00 C ATOM 0 H VAL A 68 -13.031 -2.542 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.843 -3.081 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.341 -0.749 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.892 -0.311 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.397 -1.994 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.682 -1.616 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.650 0.927 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.390 -0.328 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.244 0.163 -5.071 1.00 0.00 H new ATOM 1028 N THR A 69 -14.070 -3.137 -6.525 1.00 0.00 N ATOM 1029 CA THR A 69 -13.619 -3.004 -7.900 1.00 0.00 C ATOM 1030 C THR A 69 -14.373 -1.898 -8.622 1.00 0.00 C ATOM 1031 O THR A 69 -15.594 -1.946 -8.769 1.00 0.00 O ATOM 1032 CB THR A 69 -13.777 -4.316 -8.655 1.00 0.00 C ATOM 1033 OG1 THR A 69 -12.929 -5.313 -8.114 1.00 0.00 O ATOM 1034 CG2 THR A 69 -13.459 -4.184 -10.127 1.00 0.00 C ATOM 0 H THR A 69 -13.961 -4.073 -6.135 1.00 0.00 H new ATOM 0 HA THR A 69 -12.562 -2.741 -7.871 1.00 0.00 H new ATOM 0 HB THR A 69 -14.824 -4.598 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.310 -5.627 -8.806 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.588 -5.150 -10.615 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.131 -3.455 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.428 -3.852 -10.248 1.00 0.00 H new ATOM 1042 N VAL A 70 -13.624 -0.904 -9.060 1.00 0.00 N ATOM 1043 CA VAL A 70 -14.186 0.239 -9.766 1.00 0.00 C ATOM 1044 C VAL A 70 -13.432 0.506 -11.057 1.00 0.00 C ATOM 1045 O VAL A 70 -12.602 -0.294 -11.488 1.00 0.00 O ATOM 1046 CB VAL A 70 -14.139 1.516 -8.905 1.00 0.00 C ATOM 1047 CG1 VAL A 70 -15.484 2.225 -8.917 1.00 0.00 C ATOM 1048 CG2 VAL A 70 -13.715 1.194 -7.480 1.00 0.00 C ATOM 0 H VAL A 70 -12.612 -0.863 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 70 -15.224 -0.011 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.396 2.186 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.427 3.124 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.741 2.500 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.249 1.560 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.689 2.111 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.428 0.499 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.724 0.741 -7.489 1.00 0.00 H new ATOM 1058 N MET A 71 -13.730 1.641 -11.664 1.00 0.00 N ATOM 1059 CA MET A 71 -13.086 2.036 -12.908 1.00 0.00 C ATOM 1060 C MET A 71 -13.092 0.895 -13.907 1.00 0.00 C ATOM 1061 O MET A 71 -14.126 0.276 -14.157 1.00 0.00 O ATOM 1062 CB MET A 71 -11.651 2.486 -12.645 1.00 0.00 C ATOM 1063 CG MET A 71 -11.569 3.684 -11.734 1.00 0.00 C ATOM 1064 SD MET A 71 -9.877 4.224 -11.430 1.00 0.00 S ATOM 1065 CE MET A 71 -9.714 5.516 -12.660 1.00 0.00 C ATOM 0 H MET A 71 -14.417 2.309 -11.315 1.00 0.00 H new ATOM 0 HA MET A 71 -13.650 2.869 -13.329 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.092 1.661 -12.203 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.171 2.724 -13.594 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.134 4.507 -12.173 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.044 3.443 -10.783 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.717 5.952 -12.600 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.867 5.094 -13.653 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.460 6.290 -12.476 1.00 0.00 H new ATOM 1075 N GLY A 72 -11.930 0.626 -14.477 1.00 0.00 N ATOM 1076 CA GLY A 72 -11.815 -0.432 -15.443 1.00 0.00 C ATOM 1077 C GLY A 72 -11.560 -1.783 -14.802 1.00 0.00 C ATOM 1078 O GLY A 72 -11.085 -2.710 -15.459 1.00 0.00 O ATOM 0 H GLY A 72 -11.063 1.127 -14.284 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.730 -0.481 -16.033 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.003 -0.202 -16.133 1.00 0.00 H new ATOM 1082 N GLY A 73 -11.874 -1.893 -13.515 1.00 0.00 N ATOM 1083 CA GLY A 73 -11.669 -3.140 -12.802 1.00 0.00 C ATOM 1084 C GLY A 73 -10.706 -2.990 -11.641 1.00 0.00 C ATOM 1085 O GLY A 73 -10.103 -3.966 -11.196 1.00 0.00 O ATOM 0 H GLY A 73 -12.268 -1.139 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.627 -3.505 -12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.287 -3.892 -13.493 1.00 0.00 H new ATOM 1089 N PHE A 74 -10.561 -1.763 -11.152 1.00 0.00 N ATOM 1090 CA PHE A 74 -9.664 -1.488 -10.036 1.00 0.00 C ATOM 1091 C PHE A 74 -10.008 -2.359 -8.835 1.00 0.00 C ATOM 1092 O PHE A 74 -10.972 -3.122 -8.868 1.00 0.00 O ATOM 1093 CB PHE A 74 -9.738 -0.012 -9.643 1.00 0.00 C ATOM 1094 CG PHE A 74 -8.906 0.883 -10.516 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -8.941 0.751 -11.893 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.089 1.854 -9.960 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -8.176 1.571 -12.701 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.322 2.677 -10.762 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.366 2.535 -12.135 1.00 0.00 C ATOM 0 H PHE A 74 -11.052 -0.944 -11.511 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.649 -1.722 -10.356 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.777 0.316 -9.686 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.412 0.097 -8.609 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.573 -0.001 -12.341 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.051 1.969 -8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.212 1.458 -13.774 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.689 3.430 -10.316 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.768 3.177 -12.765 1.00 0.00 H new ATOM 1109 N LYS A 75 -9.213 -2.238 -7.778 1.00 0.00 N ATOM 1110 CA LYS A 75 -9.433 -3.013 -6.564 1.00 0.00 C ATOM 1111 C LYS A 75 -8.848 -2.302 -5.345 1.00 0.00 C ATOM 1112 O LYS A 75 -7.638 -2.325 -5.119 1.00 0.00 O ATOM 1113 CB LYS A 75 -8.808 -4.404 -6.696 1.00 0.00 C ATOM 1114 CG LYS A 75 -9.121 -5.101 -8.009 1.00 0.00 C ATOM 1115 CD LYS A 75 -8.156 -4.678 -9.105 1.00 0.00 C ATOM 1116 CE LYS A 75 -7.756 -5.853 -9.980 1.00 0.00 C ATOM 1117 NZ LYS A 75 -8.193 -5.663 -11.390 1.00 0.00 N ATOM 0 H LYS A 75 -8.410 -1.610 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.509 -3.114 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.727 -4.316 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.158 -5.028 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.067 -6.181 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.142 -4.869 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.618 -3.906 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.266 -4.237 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.674 -5.979 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.195 -6.768 -9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.510 -6.573 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.977 -4.981 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.398 -5.302 -11.954 1.00 0.00 H new ATOM 1131 N VAL A 76 -9.718 -1.681 -4.560 1.00 0.00 N ATOM 1132 CA VAL A 76 -9.305 -0.969 -3.350 1.00 0.00 C ATOM 1133 C VAL A 76 -9.498 -1.844 -2.154 1.00 0.00 C ATOM 1134 O VAL A 76 -9.565 -1.366 -1.021 1.00 0.00 O ATOM 1135 CB VAL A 76 -10.154 0.299 -3.137 1.00 0.00 C ATOM 1136 CG1 VAL A 76 -9.750 1.387 -4.124 1.00 0.00 C ATOM 1137 CG2 VAL A 76 -11.612 -0.093 -3.319 1.00 0.00 C ATOM 0 H VAL A 76 -10.722 -1.654 -4.738 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.256 -0.698 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.997 0.704 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.361 2.274 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.699 1.638 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.901 1.029 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.245 0.783 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.760 -0.486 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.877 -0.857 -2.588 1.00 0.00 H new ATOM 1147 N GLU A 77 -9.622 -3.122 -2.425 1.00 0.00 N ATOM 1148 CA GLU A 77 -9.866 -4.096 -1.372 1.00 0.00 C ATOM 1149 C GLU A 77 -10.593 -3.378 -0.257 1.00 0.00 C ATOM 1150 O GLU A 77 -10.333 -3.590 0.925 1.00 0.00 O ATOM 1151 CB GLU A 77 -8.545 -4.685 -0.873 1.00 0.00 C ATOM 1152 CG GLU A 77 -8.445 -6.191 -1.032 1.00 0.00 C ATOM 1153 CD GLU A 77 -7.561 -6.596 -2.194 1.00 0.00 C ATOM 1154 OE1 GLU A 77 -6.324 -6.495 -2.062 1.00 0.00 O ATOM 1155 OE2 GLU A 77 -8.107 -7.014 -3.237 1.00 0.00 O ATOM 0 H GLU A 77 -9.559 -3.517 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.468 -4.926 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.722 -4.217 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.420 -4.431 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.052 -6.625 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.443 -6.604 -1.178 1.00 0.00 H new ATOM 1162 N ASN A 78 -11.477 -2.478 -0.689 1.00 0.00 N ATOM 1163 CA ASN A 78 -12.239 -1.617 0.195 1.00 0.00 C ATOM 1164 C ASN A 78 -11.701 -1.778 1.601 1.00 0.00 C ATOM 1165 O ASN A 78 -12.406 -2.163 2.533 1.00 0.00 O ATOM 1166 CB ASN A 78 -13.715 -1.947 0.134 1.00 0.00 C ATOM 1167 CG ASN A 78 -14.566 -0.828 0.673 1.00 0.00 C ATOM 1168 OD1 ASN A 78 -15.297 -0.164 -0.059 1.00 0.00 O ATOM 1169 ND2 ASN A 78 -14.469 -0.608 1.966 1.00 0.00 N ATOM 0 H ASN A 78 -11.681 -2.330 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.132 -0.579 -0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.998 -2.153 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.907 -2.856 0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.013 0.138 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.849 -1.184 2.536 1.00 0.00 H new ATOM 1176 N HIS A 79 -10.409 -1.538 1.697 1.00 0.00 N ATOM 1177 CA HIS A 79 -9.663 -1.703 2.925 1.00 0.00 C ATOM 1178 C HIS A 79 -10.438 -1.362 4.170 1.00 0.00 C ATOM 1179 O HIS A 79 -10.829 -0.223 4.415 1.00 0.00 O ATOM 1180 CB HIS A 79 -8.365 -0.915 2.866 1.00 0.00 C ATOM 1181 CG HIS A 79 -7.524 -1.392 1.753 1.00 0.00 C ATOM 1182 ND1 HIS A 79 -6.258 -0.955 1.478 1.00 0.00 N ATOM 1183 CD2 HIS A 79 -7.832 -2.297 0.813 1.00 0.00 C ATOM 1184 CE1 HIS A 79 -5.839 -1.595 0.377 1.00 0.00 C ATOM 1185 NE2 HIS A 79 -6.762 -2.429 -0.068 1.00 0.00 N ATOM 0 H HIS A 79 -9.841 -1.218 0.912 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.444 -2.768 3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.582 0.146 2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.826 -1.019 3.808 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.728 -0.267 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.764 -2.839 0.749 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.874 -1.448 -0.085 1.00 0.00 H new ATOM 1193 N THR A 80 -10.605 -2.382 4.972 1.00 0.00 N ATOM 1194 CA THR A 80 -11.284 -2.249 6.246 1.00 0.00 C ATOM 1195 C THR A 80 -10.261 -2.348 7.369 1.00 0.00 C ATOM 1196 O THR A 80 -10.541 -2.014 8.520 1.00 0.00 O ATOM 1197 CB THR A 80 -12.362 -3.318 6.397 1.00 0.00 C ATOM 1198 OG1 THR A 80 -11.946 -4.327 7.297 1.00 0.00 O ATOM 1199 CG2 THR A 80 -12.720 -3.981 5.085 1.00 0.00 C ATOM 0 H THR A 80 -10.278 -3.326 4.767 1.00 0.00 H new ATOM 0 HA THR A 80 -11.776 -1.277 6.294 1.00 0.00 H new ATOM 0 HB THR A 80 -13.242 -2.799 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.658 -4.993 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.491 -4.732 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.092 -3.230 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.835 -4.459 4.665 1.00 0.00 H new ATOM 1207 N ALA A 81 -9.061 -2.805 7.012 1.00 0.00 N ATOM 1208 CA ALA A 81 -7.977 -2.946 7.969 1.00 0.00 C ATOM 1209 C ALA A 81 -6.646 -3.053 7.233 1.00 0.00 C ATOM 1210 O ALA A 81 -6.592 -3.576 6.122 1.00 0.00 O ATOM 1211 CB ALA A 81 -8.210 -4.164 8.848 1.00 0.00 C ATOM 0 H ALA A 81 -8.820 -3.084 6.061 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.947 -2.065 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.391 -4.260 9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.150 -4.049 9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.256 -5.058 8.226 1.00 0.00 H new ATOM 1217 N CYS A 82 -5.579 -2.548 7.842 1.00 0.00 N ATOM 1218 CA CYS A 82 -4.260 -2.591 7.217 1.00 0.00 C ATOM 1219 C CYS A 82 -3.238 -3.260 8.134 1.00 0.00 C ATOM 1220 O CYS A 82 -3.465 -3.398 9.335 1.00 0.00 O ATOM 1221 CB CYS A 82 -3.790 -1.178 6.861 1.00 0.00 C ATOM 1222 SG CYS A 82 -2.835 -1.076 5.309 1.00 0.00 S ATOM 0 H CYS A 82 -5.599 -2.107 8.761 1.00 0.00 H new ATOM 0 HA CYS A 82 -4.343 -3.181 6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -4.660 -0.527 6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.178 -0.794 7.677 1.00 0.00 H new ATOM 1227 N HIS A 83 -2.109 -3.664 7.558 1.00 0.00 N ATOM 1228 CA HIS A 83 -1.047 -4.309 8.323 1.00 0.00 C ATOM 1229 C HIS A 83 0.166 -4.593 7.443 1.00 0.00 C ATOM 1230 O HIS A 83 0.123 -5.461 6.570 1.00 0.00 O ATOM 1231 CB HIS A 83 -1.543 -5.607 8.959 1.00 0.00 C ATOM 1232 CG HIS A 83 -2.028 -6.618 7.971 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -2.034 -7.971 8.229 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -2.522 -6.473 6.719 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -2.510 -8.616 7.180 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -2.815 -7.731 6.250 1.00 0.00 N ATOM 0 H HIS A 83 -1.906 -3.556 6.564 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.750 -3.622 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.735 -6.045 9.545 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.351 -5.375 9.653 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.720 -8.407 9.096 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.660 -5.543 6.188 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.629 -9.686 7.097 1.00 0.00 H new ATOM 1245 N CYS A 84 1.247 -3.857 7.680 1.00 0.00 N ATOM 1246 CA CYS A 84 2.475 -4.029 6.912 1.00 0.00 C ATOM 1247 C CYS A 84 2.972 -5.467 7.005 1.00 0.00 C ATOM 1248 O CYS A 84 3.381 -5.926 8.071 1.00 0.00 O ATOM 1249 CB CYS A 84 3.559 -3.070 7.413 1.00 0.00 C ATOM 1250 SG CYS A 84 3.116 -1.307 7.283 1.00 0.00 S ATOM 0 H CYS A 84 1.298 -3.135 8.399 1.00 0.00 H new ATOM 0 HA CYS A 84 2.256 -3.802 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.780 -3.302 8.455 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.474 -3.246 6.847 1.00 0.00 H new ATOM 0 HG CYS A 84 2.585 -1.078 6.119 1.00 0.00 H new