USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 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 18 ASN : amide:sc= 0.16 K(o=0.77,f=-2.3!) USER MOD Set 1.2: A 21 THR OG1 : rot 15:sc= 0.606 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.101 (180deg=-0.794) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -14:sc= 0.907 USER MOD Single : A 42 MET CE :methyl -177:sc= 0 (180deg=-0.00903) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -43:sc= 0.0927 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -140:sc= 0 USER MOD Single : A 57 THR OG1 : rot -68:sc= 0.644 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0559) USER MOD Single : A 71 MET CE :methyl 145:sc= -0.687 (180deg=-1.9) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -120:sc= -0.0113 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.038) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -1.247 9.894 1.763 1.00 0.00 N ATOM 134 CA GLY A 10 -1.133 8.929 0.679 1.00 0.00 C ATOM 135 C GLY A 10 -0.961 7.508 1.212 1.00 0.00 C ATOM 136 O GLY A 10 0.027 6.848 0.897 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.023 8.978 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.283 9.188 0.048 1.00 0.00 H new ATOM 140 N LYS A 11 -1.897 7.041 2.044 1.00 0.00 N ATOM 141 CA LYS A 11 -1.837 5.748 2.731 1.00 0.00 C ATOM 142 C LYS A 11 -2.695 4.699 2.032 1.00 0.00 C ATOM 143 O LYS A 11 -3.915 4.876 1.910 1.00 0.00 O ATOM 144 CB LYS A 11 -2.276 5.911 4.191 1.00 0.00 C ATOM 145 CG LYS A 11 -1.175 6.577 5.021 1.00 0.00 C ATOM 146 CD LYS A 11 -1.327 6.271 6.518 1.00 0.00 C ATOM 147 CE LYS A 11 -2.461 7.096 7.150 1.00 0.00 C ATOM 148 NZ LYS A 11 -2.444 7.091 8.629 1.00 0.00 N ATOM 0 H LYS A 11 -2.742 7.568 2.264 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.805 5.399 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.185 6.511 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.516 4.936 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.200 6.232 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.204 7.655 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.529 5.209 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.390 6.486 7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.390 8.125 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.419 6.706 6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.234 7.665 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.541 6.115 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.545 7.490 8.967 1.00 0.00 H new ATOM 162 N LEU A 12 -2.066 3.593 1.635 1.00 0.00 N ATOM 163 CA LEU A 12 -2.695 2.514 0.869 1.00 0.00 C ATOM 164 C LEU A 12 -2.965 1.297 1.744 1.00 0.00 C ATOM 165 O LEU A 12 -2.328 1.115 2.778 1.00 0.00 O ATOM 166 CB LEU A 12 -1.789 2.077 -0.302 1.00 0.00 C ATOM 167 CG LEU A 12 -2.235 2.492 -1.708 1.00 0.00 C ATOM 168 CD1 LEU A 12 -3.626 1.994 -2.083 1.00 0.00 C ATOM 169 CD2 LEU A 12 -2.236 3.998 -1.883 1.00 0.00 C ATOM 0 H LEU A 12 -1.083 3.417 1.841 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.639 2.903 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.791 2.479 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.703 0.991 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.501 2.025 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.872 2.327 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.645 0.905 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.357 2.394 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.559 4.247 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.920 4.447 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.230 4.384 -1.718 1.00 0.00 H new ATOM 181 N PHE A 13 -3.827 0.395 1.279 1.00 0.00 N ATOM 182 CA PHE A 13 -4.136 -0.857 1.947 1.00 0.00 C ATOM 183 C PHE A 13 -4.021 -1.973 0.908 1.00 0.00 C ATOM 184 O PHE A 13 -4.775 -1.964 -0.063 1.00 0.00 O ATOM 185 CB PHE A 13 -5.547 -0.743 2.537 1.00 0.00 C ATOM 186 CG PHE A 13 -5.965 -1.867 3.459 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.396 -3.102 2.936 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.987 -1.649 4.848 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.857 -4.108 3.803 1.00 0.00 C ATOM 190 CE2 PHE A 13 -6.461 -2.648 5.711 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.901 -3.878 5.191 1.00 0.00 C ATOM 0 H PHE A 13 -4.339 0.522 0.406 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.451 -1.081 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.617 0.197 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.261 -0.687 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.372 -3.276 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.638 -0.710 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.178 -5.059 3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.488 -2.472 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.272 -4.645 5.855 1.00 0.00 H new ATOM 201 N ILE A 14 -3.073 -2.905 1.057 1.00 0.00 N ATOM 202 CA ILE A 14 -2.824 -3.947 0.062 1.00 0.00 C ATOM 203 C ILE A 14 -2.926 -5.302 0.757 1.00 0.00 C ATOM 204 O ILE A 14 -2.286 -5.501 1.788 1.00 0.00 O ATOM 205 CB ILE A 14 -1.457 -3.752 -0.636 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.220 -2.331 -1.193 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.357 -4.718 -1.832 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.487 -1.413 -0.219 1.00 0.00 C ATOM 0 H ILE A 14 -2.459 -2.956 1.870 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.571 -3.890 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.709 -3.940 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.645 -2.402 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.181 -1.884 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.395 -4.585 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.444 -5.745 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.161 -4.508 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.354 -0.432 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.071 -1.313 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.488 -1.838 0.018 1.00 0.00 H new ATOM 220 N GLY A 15 -3.707 -6.231 0.202 1.00 0.00 N ATOM 221 CA GLY A 15 -3.894 -7.593 0.702 1.00 0.00 C ATOM 222 C GLY A 15 -3.683 -8.618 -0.405 1.00 0.00 C ATOM 223 O GLY A 15 -3.277 -8.257 -1.508 1.00 0.00 O ATOM 0 H GLY A 15 -4.248 -6.047 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.195 -7.784 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.898 -7.698 1.113 1.00 0.00 H new ATOM 227 N GLY A 16 -3.924 -9.898 -0.117 1.00 0.00 N ATOM 228 CA GLY A 16 -3.695 -11.024 -1.025 1.00 0.00 C ATOM 229 C GLY A 16 -2.231 -11.184 -1.458 1.00 0.00 C ATOM 230 O GLY A 16 -1.950 -11.845 -2.457 1.00 0.00 O ATOM 0 H GLY A 16 -4.297 -10.190 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.023 -11.943 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.314 -10.895 -1.913 1.00 0.00 H new ATOM 234 N LEU A 17 -1.313 -10.532 -0.749 1.00 0.00 N ATOM 235 CA LEU A 17 0.125 -10.550 -0.994 1.00 0.00 C ATOM 236 C LEU A 17 0.753 -11.794 -0.432 1.00 0.00 C ATOM 237 O LEU A 17 0.124 -12.680 0.134 1.00 0.00 O ATOM 238 CB LEU A 17 0.778 -9.297 -0.373 1.00 0.00 C ATOM 239 CG LEU A 17 0.338 -7.965 -0.983 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.015 -6.851 -0.190 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.740 -7.837 -2.452 1.00 0.00 C ATOM 0 H LEU A 17 -1.564 -9.949 0.050 1.00 0.00 H new ATOM 0 HA LEU A 17 0.290 -10.546 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.555 -9.281 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.860 -9.384 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.749 -7.903 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.723 -5.884 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.709 -6.911 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.097 -6.962 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.405 -6.874 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.824 -7.906 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.278 -8.640 -3.027 1.00 0.00 H new ATOM 253 N ASN A 18 2.036 -11.845 -0.730 1.00 0.00 N ATOM 254 CA ASN A 18 2.781 -13.053 -0.867 1.00 0.00 C ATOM 255 C ASN A 18 3.275 -13.537 0.489 1.00 0.00 C ATOM 256 O ASN A 18 3.035 -12.906 1.521 1.00 0.00 O ATOM 257 CB ASN A 18 3.947 -12.879 -1.838 1.00 0.00 C ATOM 258 CG ASN A 18 3.909 -11.760 -2.847 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.784 -10.579 -2.518 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.092 -12.165 -4.082 1.00 0.00 N ATOM 0 H ASN A 18 2.597 -11.008 -0.887 1.00 0.00 H new ATOM 0 HA ASN A 18 2.115 -13.810 -1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.852 -12.753 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.056 -13.813 -2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.138 -11.484 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.188 -13.160 -4.283 1.00 0.00 H new ATOM 267 N THR A 19 4.106 -14.568 0.432 1.00 0.00 N ATOM 268 CA THR A 19 5.035 -14.942 1.489 1.00 0.00 C ATOM 269 C THR A 19 6.485 -14.913 0.989 1.00 0.00 C ATOM 270 O THR A 19 7.399 -15.106 1.786 1.00 0.00 O ATOM 271 CB THR A 19 4.671 -16.315 2.083 1.00 0.00 C ATOM 272 OG1 THR A 19 4.152 -17.178 1.086 1.00 0.00 O ATOM 273 CG2 THR A 19 3.619 -16.184 3.183 1.00 0.00 C ATOM 0 H THR A 19 4.154 -15.187 -0.377 1.00 0.00 H new ATOM 0 HA THR A 19 4.950 -14.204 2.287 1.00 0.00 H new ATOM 0 HB THR A 19 5.590 -16.729 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.930 -18.044 1.487 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.384 -17.171 3.581 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.006 -15.552 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.715 -15.735 2.771 1.00 0.00 H new ATOM 281 N GLU A 20 6.721 -14.682 -0.309 1.00 0.00 N ATOM 282 CA GLU A 20 8.015 -14.812 -0.963 1.00 0.00 C ATOM 283 C GLU A 20 8.426 -13.483 -1.602 1.00 0.00 C ATOM 284 O GLU A 20 8.801 -13.423 -2.770 1.00 0.00 O ATOM 285 CB GLU A 20 7.928 -15.966 -1.970 1.00 0.00 C ATOM 286 CG GLU A 20 9.302 -16.607 -2.218 1.00 0.00 C ATOM 287 CD GLU A 20 9.804 -17.322 -0.955 1.00 0.00 C ATOM 288 OE1 GLU A 20 9.182 -18.356 -0.580 1.00 0.00 O ATOM 289 OE2 GLU A 20 10.729 -16.794 -0.287 1.00 0.00 O ATOM 0 H GLU A 20 5.984 -14.389 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 20 8.797 -15.049 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.235 -16.721 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.523 -15.597 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.234 -17.318 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.018 -15.841 -2.517 1.00 0.00 H new ATOM 296 N THR A 21 8.261 -12.373 -0.894 1.00 0.00 N ATOM 297 CA THR A 21 8.464 -11.030 -1.410 1.00 0.00 C ATOM 298 C THR A 21 8.850 -10.115 -0.254 1.00 0.00 C ATOM 299 O THR A 21 8.320 -10.236 0.849 1.00 0.00 O ATOM 300 CB THR A 21 7.164 -10.610 -2.113 1.00 0.00 C ATOM 301 OG1 THR A 21 7.104 -11.278 -3.355 1.00 0.00 O ATOM 302 CG2 THR A 21 6.995 -9.105 -2.330 1.00 0.00 C ATOM 0 H THR A 21 7.973 -12.385 0.085 1.00 0.00 H new ATOM 0 HA THR A 21 9.275 -10.974 -2.136 1.00 0.00 H new ATOM 0 HB THR A 21 6.347 -10.889 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.760 -12.006 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.047 -8.914 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.004 -8.595 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.814 -8.732 -2.946 1.00 0.00 H new ATOM 310 N ASN A 22 9.744 -9.173 -0.541 1.00 0.00 N ATOM 311 CA ASN A 22 10.214 -8.115 0.339 1.00 0.00 C ATOM 312 C ASN A 22 9.781 -6.761 -0.226 1.00 0.00 C ATOM 313 O ASN A 22 9.387 -6.652 -1.394 1.00 0.00 O ATOM 314 CB ASN A 22 11.746 -8.170 0.435 1.00 0.00 C ATOM 315 CG ASN A 22 12.233 -9.501 0.965 1.00 0.00 C ATOM 316 OD1 ASN A 22 11.933 -9.883 2.091 1.00 0.00 O ATOM 317 ND2 ASN A 22 13.021 -10.206 0.185 1.00 0.00 N ATOM 0 H ASN A 22 10.188 -9.128 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 22 9.788 -8.248 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.178 -7.992 -0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.097 -7.370 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.400 -11.095 0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.254 -9.864 -0.747 1.00 0.00 H new ATOM 324 N GLU A 23 9.936 -5.715 0.583 1.00 0.00 N ATOM 325 CA GLU A 23 9.498 -4.332 0.314 1.00 0.00 C ATOM 326 C GLU A 23 10.103 -3.809 -0.983 1.00 0.00 C ATOM 327 O GLU A 23 9.442 -3.130 -1.764 1.00 0.00 O ATOM 328 CB GLU A 23 9.919 -3.430 1.489 1.00 0.00 C ATOM 329 CG GLU A 23 9.146 -3.852 2.742 1.00 0.00 C ATOM 330 CD GLU A 23 9.778 -3.467 4.075 1.00 0.00 C ATOM 331 OE1 GLU A 23 11.028 -3.519 4.170 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.046 -3.389 5.085 1.00 0.00 O ATOM 0 H GLU A 23 10.392 -5.805 1.491 1.00 0.00 H new ATOM 0 HA GLU A 23 8.413 -4.323 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.992 -3.514 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.714 -2.385 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.149 -3.414 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.020 -4.935 2.721 1.00 0.00 H new ATOM 339 N LYS A 24 11.330 -4.228 -1.273 1.00 0.00 N ATOM 340 CA LYS A 24 12.037 -3.842 -2.483 1.00 0.00 C ATOM 341 C LYS A 24 11.343 -4.239 -3.787 1.00 0.00 C ATOM 342 O LYS A 24 11.781 -3.798 -4.846 1.00 0.00 O ATOM 343 CB LYS A 24 13.479 -4.353 -2.434 1.00 0.00 C ATOM 344 CG LYS A 24 13.561 -5.886 -2.493 1.00 0.00 C ATOM 345 CD LYS A 24 14.907 -6.375 -3.040 1.00 0.00 C ATOM 346 CE LYS A 24 14.950 -6.413 -4.573 1.00 0.00 C ATOM 347 NZ LYS A 24 15.294 -5.127 -5.227 1.00 0.00 N ATOM 0 H LYS A 24 11.864 -4.851 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 24 12.034 -2.752 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.040 -3.930 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 24 13.955 -4.002 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.407 -6.295 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.756 -6.267 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.700 -5.722 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.111 -7.373 -2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.676 -7.165 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.977 -6.740 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.675 -5.312 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.440 -4.538 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.008 -4.628 -4.658 1.00 0.00 H new ATOM 361 N ALA A 25 10.322 -5.099 -3.763 1.00 0.00 N ATOM 362 CA ALA A 25 9.522 -5.358 -4.953 1.00 0.00 C ATOM 363 C ALA A 25 8.228 -4.557 -4.926 1.00 0.00 C ATOM 364 O ALA A 25 7.725 -4.253 -5.998 1.00 0.00 O ATOM 365 CB ALA A 25 9.249 -6.850 -5.104 1.00 0.00 C ATOM 0 H ALA A 25 10.034 -5.623 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 25 10.091 -5.032 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.650 -7.022 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.194 -7.386 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.707 -7.211 -4.230 1.00 0.00 H new ATOM 371 N LEU A 26 7.716 -4.162 -3.755 1.00 0.00 N ATOM 372 CA LEU A 26 6.568 -3.262 -3.637 1.00 0.00 C ATOM 373 C LEU A 26 6.871 -1.915 -4.275 1.00 0.00 C ATOM 374 O LEU A 26 6.006 -1.384 -4.973 1.00 0.00 O ATOM 375 CB LEU A 26 6.144 -3.097 -2.171 1.00 0.00 C ATOM 376 CG LEU A 26 5.418 -4.318 -1.574 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.144 -4.094 -0.084 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.087 -4.613 -2.283 1.00 0.00 C ATOM 0 H LEU A 26 8.092 -4.462 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 26 5.732 -3.709 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.030 -2.888 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.492 -2.227 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 26 6.077 -5.175 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.631 -4.964 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.088 -3.948 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.518 -3.210 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.615 -5.482 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.427 -3.751 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.274 -4.815 -3.338 1.00 0.00 H new ATOM 390 N GLU A 27 8.115 -1.446 -4.141 1.00 0.00 N ATOM 391 CA GLU A 27 8.640 -0.311 -4.891 1.00 0.00 C ATOM 392 C GLU A 27 8.308 -0.481 -6.379 1.00 0.00 C ATOM 393 O GLU A 27 7.740 0.387 -7.037 1.00 0.00 O ATOM 394 CB GLU A 27 10.176 -0.265 -4.748 1.00 0.00 C ATOM 395 CG GLU A 27 10.752 0.048 -3.361 1.00 0.00 C ATOM 396 CD GLU A 27 12.247 -0.319 -3.264 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.935 -0.486 -4.304 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.741 -0.557 -2.142 1.00 0.00 O ATOM 0 H GLU A 27 8.793 -1.854 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 27 8.194 0.605 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.572 -1.229 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.556 0.481 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.624 1.109 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.193 -0.501 -2.603 1.00 0.00 H new ATOM 405 N ALA A 28 8.654 -1.655 -6.905 1.00 0.00 N ATOM 406 CA ALA A 28 8.588 -1.969 -8.318 1.00 0.00 C ATOM 407 C ALA A 28 7.163 -2.295 -8.769 1.00 0.00 C ATOM 408 O ALA A 28 6.918 -2.327 -9.978 1.00 0.00 O ATOM 409 CB ALA A 28 9.528 -3.140 -8.616 1.00 0.00 C ATOM 0 H ALA A 28 8.997 -2.431 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 28 8.902 -1.089 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.483 -3.381 -9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.548 -2.864 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.223 -4.009 -8.033 1.00 0.00 H new ATOM 415 N VAL A 29 6.229 -2.579 -7.858 1.00 0.00 N ATOM 416 CA VAL A 29 4.815 -2.705 -8.188 1.00 0.00 C ATOM 417 C VAL A 29 4.288 -1.307 -8.479 1.00 0.00 C ATOM 418 O VAL A 29 3.828 -1.029 -9.588 1.00 0.00 O ATOM 419 CB VAL A 29 4.014 -3.390 -7.055 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.535 -3.522 -7.446 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.574 -4.778 -6.725 1.00 0.00 C ATOM 0 H VAL A 29 6.436 -2.728 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 29 4.694 -3.345 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 29 4.106 -2.760 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.987 -4.006 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.117 -2.532 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.450 -4.122 -8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.985 -5.227 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.524 -5.411 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.611 -4.685 -6.404 1.00 0.00 H new ATOM 431 N PHE A 30 4.329 -0.439 -7.470 1.00 0.00 N ATOM 432 CA PHE A 30 3.504 0.750 -7.466 1.00 0.00 C ATOM 433 C PHE A 30 4.255 1.994 -7.948 1.00 0.00 C ATOM 434 O PHE A 30 3.615 3.020 -8.138 1.00 0.00 O ATOM 435 CB PHE A 30 2.898 0.953 -6.075 1.00 0.00 C ATOM 436 CG PHE A 30 1.796 0.001 -5.661 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.463 0.273 -6.024 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.084 -1.089 -4.818 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.579 -0.545 -5.555 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.041 -1.905 -4.348 1.00 0.00 C ATOM 441 CZ PHE A 30 -0.289 -1.629 -4.709 1.00 0.00 C ATOM 0 H PHE A 30 4.926 -0.543 -6.650 1.00 0.00 H new ATOM 0 HA PHE A 30 2.697 0.600 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.701 0.881 -5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.507 1.969 -6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.241 1.113 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.105 -1.298 -4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.600 -0.341 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.262 -2.746 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.089 -2.251 -4.336 1.00 0.00 H new ATOM 451 N GLY A 31 5.567 1.921 -8.199 1.00 0.00 N ATOM 452 CA GLY A 31 6.407 3.064 -8.551 1.00 0.00 C ATOM 453 C GLY A 31 5.921 3.877 -9.760 1.00 0.00 C ATOM 454 O GLY A 31 6.272 5.046 -9.919 1.00 0.00 O ATOM 0 H GLY A 31 6.084 1.042 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.472 3.727 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.416 2.706 -8.755 1.00 0.00 H new ATOM 458 N LYS A 32 5.083 3.283 -10.614 1.00 0.00 N ATOM 459 CA LYS A 32 4.454 3.916 -11.777 1.00 0.00 C ATOM 460 C LYS A 32 3.321 4.884 -11.406 1.00 0.00 C ATOM 461 O LYS A 32 2.865 5.648 -12.257 1.00 0.00 O ATOM 462 CB LYS A 32 3.955 2.802 -12.711 1.00 0.00 C ATOM 463 CG LYS A 32 2.862 1.903 -12.095 1.00 0.00 C ATOM 464 CD LYS A 32 3.009 0.437 -12.519 1.00 0.00 C ATOM 465 CE LYS A 32 2.803 0.276 -14.027 1.00 0.00 C ATOM 466 NZ LYS A 32 3.296 -1.024 -14.514 1.00 0.00 N ATOM 0 H LYS A 32 4.812 2.305 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 32 5.198 4.534 -12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.566 3.255 -13.623 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.802 2.179 -13.000 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.908 1.971 -11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.881 2.270 -12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.999 0.073 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.284 -0.174 -11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.743 0.373 -14.261 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.320 1.080 -14.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.138 -1.093 -15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.313 -1.106 -14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.785 -1.791 -14.032 1.00 0.00 H new ATOM 480 N TYR A 33 2.880 4.891 -10.149 1.00 0.00 N ATOM 481 CA TYR A 33 1.796 5.692 -9.614 1.00 0.00 C ATOM 482 C TYR A 33 2.460 6.766 -8.773 1.00 0.00 C ATOM 483 O TYR A 33 2.542 6.684 -7.549 1.00 0.00 O ATOM 484 CB TYR A 33 0.796 4.839 -8.815 1.00 0.00 C ATOM 485 CG TYR A 33 0.193 3.700 -9.612 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.741 3.963 -10.628 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.616 2.382 -9.375 1.00 0.00 C ATOM 488 CE1 TYR A 33 -1.213 2.913 -11.434 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.160 1.328 -10.183 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.740 1.597 -11.237 1.00 0.00 C ATOM 491 OH TYR A 33 -1.114 0.586 -12.065 1.00 0.00 O ATOM 0 H TYR A 33 3.302 4.296 -9.436 1.00 0.00 H new ATOM 0 HA TYR A 33 1.195 6.140 -10.405 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.299 4.431 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.006 5.481 -8.452 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.096 4.970 -10.789 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.299 2.177 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.940 3.113 -12.207 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.496 0.318 -9.999 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.880 0.872 -12.605 1.00 0.00 H new ATOM 501 N GLY A 34 3.067 7.717 -9.468 1.00 0.00 N ATOM 502 CA GLY A 34 3.656 8.908 -8.884 1.00 0.00 C ATOM 503 C GLY A 34 4.910 8.517 -8.131 1.00 0.00 C ATOM 504 O GLY A 34 5.802 7.922 -8.746 1.00 0.00 O ATOM 0 H GLY A 34 3.165 7.678 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.895 9.631 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.946 9.388 -8.210 1.00 0.00 H new ATOM 508 N ARG A 35 5.008 8.807 -6.834 1.00 0.00 N ATOM 509 CA ARG A 35 6.227 8.554 -6.062 1.00 0.00 C ATOM 510 C ARG A 35 5.907 7.896 -4.732 1.00 0.00 C ATOM 511 O ARG A 35 5.362 8.531 -3.834 1.00 0.00 O ATOM 512 CB ARG A 35 7.013 9.859 -5.861 1.00 0.00 C ATOM 513 CG ARG A 35 7.539 10.390 -7.198 1.00 0.00 C ATOM 514 CD ARG A 35 8.328 11.682 -7.025 1.00 0.00 C ATOM 515 NE ARG A 35 8.707 12.220 -8.335 1.00 0.00 N ATOM 516 CZ ARG A 35 9.658 13.119 -8.582 1.00 0.00 C ATOM 517 NH1 ARG A 35 10.336 13.681 -7.586 1.00 0.00 N ATOM 518 NH2 ARG A 35 9.933 13.470 -9.832 1.00 0.00 N ATOM 0 H ARG A 35 4.251 9.221 -6.291 1.00 0.00 H new ATOM 0 HA ARG A 35 6.852 7.862 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.371 10.607 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.847 9.685 -5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.174 9.636 -7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.702 10.563 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.729 12.413 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.221 11.495 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 35 8.189 11.870 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.130 13.425 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.062 14.368 -7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.416 13.051 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.662 14.159 -10.020 1.00 0.00 H new ATOM 532 N ILE A 36 6.286 6.635 -4.563 1.00 0.00 N ATOM 533 CA ILE A 36 6.430 6.043 -3.240 1.00 0.00 C ATOM 534 C ILE A 36 7.608 6.734 -2.569 1.00 0.00 C ATOM 535 O ILE A 36 8.623 6.986 -3.226 1.00 0.00 O ATOM 536 CB ILE A 36 6.702 4.531 -3.359 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.539 3.825 -4.073 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.932 3.869 -1.990 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.980 2.519 -4.718 1.00 0.00 C ATOM 0 H ILE A 36 6.500 6.000 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 36 5.518 6.172 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 36 7.615 4.425 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.741 3.626 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.126 4.486 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.119 2.804 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.792 4.329 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.048 4.004 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.128 2.051 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.760 2.721 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.368 1.848 -3.952 1.00 0.00 H new ATOM 551 N VAL A 37 7.504 6.978 -1.262 1.00 0.00 N ATOM 552 CA VAL A 37 8.635 7.391 -0.438 1.00 0.00 C ATOM 553 C VAL A 37 8.690 6.659 0.907 1.00 0.00 C ATOM 554 O VAL A 37 9.522 7.018 1.744 1.00 0.00 O ATOM 555 CB VAL A 37 8.667 8.922 -0.283 1.00 0.00 C ATOM 556 CG1 VAL A 37 9.026 9.592 -1.610 1.00 0.00 C ATOM 557 CG2 VAL A 37 7.356 9.485 0.289 1.00 0.00 C ATOM 0 H VAL A 37 6.628 6.894 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 37 9.544 7.095 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 37 9.446 9.154 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.043 10.674 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.008 9.250 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.283 9.330 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.433 10.569 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.531 9.233 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.173 9.053 1.273 1.00 0.00 H new ATOM 567 N GLU A 38 7.840 5.656 1.137 1.00 0.00 N ATOM 568 CA GLU A 38 7.956 4.734 2.268 1.00 0.00 C ATOM 569 C GLU A 38 7.168 3.444 1.983 1.00 0.00 C ATOM 570 O GLU A 38 6.173 3.470 1.255 1.00 0.00 O ATOM 571 CB GLU A 38 7.469 5.440 3.555 1.00 0.00 C ATOM 572 CG GLU A 38 8.625 5.631 4.547 1.00 0.00 C ATOM 573 CD GLU A 38 8.251 6.566 5.695 1.00 0.00 C ATOM 574 OE1 GLU A 38 7.555 6.118 6.628 1.00 0.00 O ATOM 575 OE2 GLU A 38 8.680 7.753 5.702 1.00 0.00 O ATOM 0 H GLU A 38 7.041 5.459 0.534 1.00 0.00 H new ATOM 0 HA GLU A 38 8.998 4.449 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.038 6.409 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.679 4.851 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.919 4.662 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.491 6.033 4.021 1.00 0.00 H new ATOM 582 N VAL A 39 7.593 2.316 2.561 1.00 0.00 N ATOM 583 CA VAL A 39 6.969 0.998 2.434 1.00 0.00 C ATOM 584 C VAL A 39 6.944 0.347 3.826 1.00 0.00 C ATOM 585 O VAL A 39 7.808 0.645 4.657 1.00 0.00 O ATOM 586 CB VAL A 39 7.751 0.134 1.405 1.00 0.00 C ATOM 587 CG1 VAL A 39 6.977 -1.143 1.059 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.021 0.859 0.075 1.00 0.00 C ATOM 0 H VAL A 39 8.420 2.298 3.158 1.00 0.00 H new ATOM 0 HA VAL A 39 5.947 1.086 2.064 1.00 0.00 H new ATOM 0 HB VAL A 39 8.700 -0.087 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.546 -1.729 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.823 -1.731 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.011 -0.878 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.570 0.197 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.074 1.138 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.611 1.756 0.263 1.00 0.00 H new ATOM 598 N LEU A 40 5.995 -0.558 4.095 1.00 0.00 N ATOM 599 CA LEU A 40 6.011 -1.416 5.279 1.00 0.00 C ATOM 600 C LEU A 40 5.384 -2.766 4.927 1.00 0.00 C ATOM 601 O LEU A 40 4.165 -2.881 4.773 1.00 0.00 O ATOM 602 CB LEU A 40 5.282 -0.732 6.455 1.00 0.00 C ATOM 603 CG LEU A 40 5.868 -1.009 7.851 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.983 -2.506 8.144 1.00 0.00 C ATOM 605 CD2 LEU A 40 7.213 -0.306 8.069 1.00 0.00 C ATOM 0 H LEU A 40 5.189 -0.714 3.490 1.00 0.00 H new ATOM 0 HA LEU A 40 7.039 -1.586 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.287 0.345 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.240 -1.051 6.448 1.00 0.00 H new ATOM 0 HG LEU A 40 5.158 -0.587 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.401 -2.651 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.995 -2.963 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.635 -2.972 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.584 -0.533 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.931 -0.656 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.081 0.771 7.967 1.00 0.00 H new ATOM 617 N LEU A 41 6.208 -3.799 4.762 1.00 0.00 N ATOM 618 CA LEU A 41 5.738 -5.174 4.663 1.00 0.00 C ATOM 619 C LEU A 41 5.458 -5.662 6.083 1.00 0.00 C ATOM 620 O LEU A 41 6.381 -5.859 6.874 1.00 0.00 O ATOM 621 CB LEU A 41 6.781 -6.027 3.938 1.00 0.00 C ATOM 622 CG LEU A 41 6.374 -7.489 3.705 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.255 -7.617 2.661 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.588 -8.230 3.153 1.00 0.00 C ATOM 0 H LEU A 41 7.221 -3.703 4.693 1.00 0.00 H new ATOM 0 HA LEU A 41 4.821 -5.249 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.998 -5.568 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.706 -6.010 4.514 1.00 0.00 H new ATOM 0 HG LEU A 41 6.020 -7.897 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.999 -8.668 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.376 -7.070 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.594 -7.204 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.328 -9.274 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.899 -7.771 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.405 -8.176 3.872 1.00 0.00 H new ATOM 636 N MET A 42 4.176 -5.798 6.416 1.00 0.00 N ATOM 637 CA MET A 42 3.710 -6.322 7.695 1.00 0.00 C ATOM 638 C MET A 42 4.092 -7.810 7.775 1.00 0.00 C ATOM 639 O MET A 42 4.174 -8.465 6.735 1.00 0.00 O ATOM 640 CB MET A 42 2.182 -6.144 7.785 1.00 0.00 C ATOM 641 CG MET A 42 1.661 -4.754 7.367 1.00 0.00 C ATOM 642 SD MET A 42 2.209 -3.316 8.329 1.00 0.00 S ATOM 643 CE MET A 42 1.363 -3.634 9.899 1.00 0.00 C ATOM 0 H MET A 42 3.415 -5.540 5.787 1.00 0.00 H new ATOM 0 HA MET A 42 4.170 -5.788 8.526 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.706 -6.897 7.157 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.869 -6.339 8.811 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.946 -4.589 6.328 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.572 -4.782 7.399 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.553 -2.811 10.588 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.291 -3.721 9.723 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.736 -4.562 10.332 1.00 0.00 H new ATOM 653 N LYS A 43 4.280 -8.381 8.972 1.00 0.00 N ATOM 654 CA LYS A 43 4.738 -9.770 9.131 1.00 0.00 C ATOM 655 C LYS A 43 3.974 -10.488 10.225 1.00 0.00 C ATOM 656 O LYS A 43 3.416 -9.854 11.122 1.00 0.00 O ATOM 657 CB LYS A 43 6.241 -9.813 9.447 1.00 0.00 C ATOM 658 CG LYS A 43 7.059 -9.437 8.210 1.00 0.00 C ATOM 659 CD LYS A 43 8.523 -9.206 8.559 1.00 0.00 C ATOM 660 CE LYS A 43 9.274 -8.705 7.324 1.00 0.00 C ATOM 661 NZ LYS A 43 10.685 -8.430 7.648 1.00 0.00 N ATOM 0 H LYS A 43 4.120 -7.896 9.855 1.00 0.00 H new ATOM 0 HA LYS A 43 4.550 -10.280 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.467 -9.126 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.519 -10.811 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.982 -10.230 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.645 -8.535 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.604 -8.478 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.972 -10.132 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.217 -9.450 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.799 -7.799 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.177 -8.091 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.736 -7.703 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.140 -9.302 7.987 1.00 0.00 H new ATOM 675 N ASP A 44 3.976 -11.814 10.138 1.00 0.00 N ATOM 676 CA ASP A 44 3.429 -12.718 11.141 1.00 0.00 C ATOM 677 C ASP A 44 4.436 -12.946 12.260 1.00 0.00 C ATOM 678 O ASP A 44 5.645 -12.831 12.030 1.00 0.00 O ATOM 679 CB ASP A 44 3.107 -14.094 10.520 1.00 0.00 C ATOM 680 CG ASP A 44 1.735 -14.583 10.979 1.00 0.00 C ATOM 681 OD1 ASP A 44 1.410 -14.407 12.172 1.00 0.00 O ATOM 682 OD2 ASP A 44 0.986 -15.141 10.149 1.00 0.00 O ATOM 0 H ASP A 44 4.373 -12.306 9.337 1.00 0.00 H new ATOM 0 HA ASP A 44 2.521 -12.257 11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.128 -14.022 9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.871 -14.816 10.807 1.00 0.00 H new ATOM 687 N ARG A 45 3.965 -13.400 13.428 1.00 0.00 N ATOM 688 CA ARG A 45 4.810 -14.035 14.440 1.00 0.00 C ATOM 689 C ARG A 45 5.520 -15.211 13.785 1.00 0.00 C ATOM 690 O ARG A 45 6.743 -15.288 13.842 1.00 0.00 O ATOM 691 CB ARG A 45 3.968 -14.532 15.644 1.00 0.00 C ATOM 692 CG ARG A 45 4.792 -15.258 16.729 1.00 0.00 C ATOM 693 CD ARG A 45 4.011 -16.344 17.488 1.00 0.00 C ATOM 694 NE ARG A 45 3.051 -15.804 18.469 1.00 0.00 N ATOM 695 CZ ARG A 45 2.879 -16.278 19.714 1.00 0.00 C ATOM 696 NH1 ARG A 45 3.419 -17.428 20.097 1.00 0.00 N ATOM 697 NH2 ARG A 45 2.155 -15.596 20.586 1.00 0.00 N ATOM 0 H ARG A 45 2.983 -13.336 13.696 1.00 0.00 H new ATOM 0 HA ARG A 45 5.529 -13.310 14.820 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.461 -13.680 16.097 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.193 -15.206 15.279 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.666 -15.713 16.263 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.159 -14.522 17.445 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.474 -16.963 16.769 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.717 -16.995 18.004 1.00 0.00 H new ATOM 0 HE ARG A 45 2.476 -15.013 18.181 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.979 -17.972 19.441 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.274 -17.768 21.048 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.728 -14.711 20.313 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.024 -15.955 21.532 1.00 0.00 H new ATOM 711 N GLU A 46 4.739 -16.103 13.163 1.00 0.00 N ATOM 712 CA GLU A 46 4.883 -17.544 13.307 1.00 0.00 C ATOM 713 C GLU A 46 6.302 -17.978 13.005 1.00 0.00 C ATOM 714 O GLU A 46 6.868 -18.813 13.703 1.00 0.00 O ATOM 715 CB GLU A 46 3.908 -18.257 12.351 1.00 0.00 C ATOM 716 CG GLU A 46 2.432 -17.886 12.535 1.00 0.00 C ATOM 717 CD GLU A 46 1.912 -18.272 13.915 1.00 0.00 C ATOM 718 OE1 GLU A 46 2.167 -17.518 14.869 1.00 0.00 O ATOM 719 OE2 GLU A 46 1.281 -19.352 14.017 1.00 0.00 O ATOM 0 H GLU A 46 3.980 -15.832 12.538 1.00 0.00 H new ATOM 0 HA GLU A 46 4.653 -17.814 14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.199 -18.031 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.016 -19.334 12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.307 -16.813 12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.835 -18.384 11.771 1.00 0.00 H new ATOM 726 N THR A 47 6.852 -17.426 11.929 1.00 0.00 N ATOM 727 CA THR A 47 8.150 -17.842 11.426 1.00 0.00 C ATOM 728 C THR A 47 8.758 -16.703 10.592 1.00 0.00 C ATOM 729 O THR A 47 9.430 -16.930 9.584 1.00 0.00 O ATOM 730 CB THR A 47 7.938 -19.191 10.704 1.00 0.00 C ATOM 731 OG1 THR A 47 9.150 -19.796 10.309 1.00 0.00 O ATOM 732 CG2 THR A 47 6.993 -19.071 9.512 1.00 0.00 C ATOM 0 H THR A 47 6.412 -16.683 11.386 1.00 0.00 H new ATOM 0 HA THR A 47 8.893 -18.022 12.203 1.00 0.00 H new ATOM 0 HB THR A 47 7.469 -19.842 11.442 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.745 -19.118 9.926 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.878 -20.046 9.039 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.021 -18.716 9.853 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.405 -18.365 8.791 1.00 0.00 H new ATOM 740 N ASN A 48 8.434 -15.453 10.958 1.00 0.00 N ATOM 741 CA ASN A 48 8.644 -14.267 10.119 1.00 0.00 C ATOM 742 C ASN A 48 8.107 -14.490 8.694 1.00 0.00 C ATOM 743 O ASN A 48 8.660 -13.957 7.727 1.00 0.00 O ATOM 744 CB ASN A 48 10.126 -13.833 10.146 1.00 0.00 C ATOM 745 CG ASN A 48 10.557 -13.345 11.521 1.00 0.00 C ATOM 746 OD1 ASN A 48 9.921 -12.462 12.093 1.00 0.00 O ATOM 747 ND2 ASN A 48 11.607 -13.908 12.098 1.00 0.00 N ATOM 0 H ASN A 48 8.012 -15.236 11.861 1.00 0.00 H new ATOM 0 HA ASN A 48 8.068 -13.440 10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.754 -14.672 9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.284 -13.040 9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.898 -13.610 13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.125 -14.640 11.611 1.00 0.00 H new ATOM 754 N LYS A 49 7.038 -15.288 8.543 1.00 0.00 N ATOM 755 CA LYS A 49 6.235 -15.335 7.329 1.00 0.00 C ATOM 756 C LYS A 49 5.532 -13.990 7.192 1.00 0.00 C ATOM 757 O LYS A 49 5.333 -13.286 8.183 1.00 0.00 O ATOM 758 CB LYS A 49 5.218 -16.493 7.415 1.00 0.00 C ATOM 759 CG LYS A 49 5.627 -17.716 6.571 1.00 0.00 C ATOM 760 CD LYS A 49 4.807 -18.969 6.929 1.00 0.00 C ATOM 761 CE LYS A 49 5.448 -20.259 6.394 1.00 0.00 C ATOM 762 NZ LYS A 49 5.354 -20.429 4.930 1.00 0.00 N ATOM 0 H LYS A 49 6.711 -15.922 9.272 1.00 0.00 H new ATOM 0 HA LYS A 49 6.858 -15.515 6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.109 -16.797 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.243 -16.138 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.494 -17.487 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.687 -17.922 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.707 -19.038 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.801 -18.870 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.499 -20.274 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.973 -21.113 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.810 -21.322 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.354 -20.449 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.832 -19.636 4.457 1.00 0.00 H new ATOM 776 N SER A 50 5.109 -13.649 5.986 1.00 0.00 N ATOM 777 CA SER A 50 4.181 -12.550 5.797 1.00 0.00 C ATOM 778 C SER A 50 2.774 -13.028 6.179 1.00 0.00 C ATOM 779 O SER A 50 2.439 -14.201 5.997 1.00 0.00 O ATOM 780 CB SER A 50 4.240 -12.091 4.341 1.00 0.00 C ATOM 781 OG SER A 50 4.506 -10.710 4.269 1.00 0.00 O ATOM 0 H SER A 50 5.394 -14.117 5.126 1.00 0.00 H new ATOM 0 HA SER A 50 4.444 -11.702 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.015 -12.645 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.294 -12.311 3.846 1.00 0.00 H new ATOM 0 HG SER A 50 3.965 -10.309 3.557 1.00 0.00 H new ATOM 787 N ARG A 51 1.925 -12.103 6.634 1.00 0.00 N ATOM 788 CA ARG A 51 0.478 -12.291 6.776 1.00 0.00 C ATOM 789 C ARG A 51 -0.253 -12.072 5.447 1.00 0.00 C ATOM 790 O ARG A 51 -1.475 -12.213 5.402 1.00 0.00 O ATOM 791 CB ARG A 51 -0.055 -11.321 7.848 1.00 0.00 C ATOM 792 CG ARG A 51 0.275 -11.816 9.261 1.00 0.00 C ATOM 793 CD ARG A 51 0.044 -10.760 10.351 1.00 0.00 C ATOM 794 NE ARG A 51 -1.325 -10.202 10.346 1.00 0.00 N ATOM 795 CZ ARG A 51 -1.689 -9.005 10.828 1.00 0.00 C ATOM 796 NH1 ARG A 51 -0.820 -8.286 11.527 1.00 0.00 N ATOM 797 NH2 ARG A 51 -2.898 -8.510 10.580 1.00 0.00 N ATOM 0 H ARG A 51 2.234 -11.175 6.922 1.00 0.00 H new ATOM 0 HA ARG A 51 0.291 -13.320 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.380 -10.333 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.134 -11.214 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.334 -12.693 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.317 -12.135 9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.244 -11.205 11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.760 -9.949 10.218 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.060 -10.780 9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.120 -8.645 11.695 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.092 -7.375 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.561 -9.042 10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.162 -7.598 10.953 1.00 0.00 H new ATOM 811 N GLY A 52 0.449 -11.695 4.377 1.00 0.00 N ATOM 812 CA GLY A 52 -0.140 -11.538 3.059 1.00 0.00 C ATOM 813 C GLY A 52 -0.884 -10.213 2.923 1.00 0.00 C ATOM 814 O GLY A 52 -1.827 -10.105 2.135 1.00 0.00 O ATOM 0 H GLY A 52 1.448 -11.490 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.643 -11.594 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.828 -12.362 2.868 1.00 0.00 H new ATOM 818 N PHE A 53 -0.486 -9.186 3.676 1.00 0.00 N ATOM 819 CA PHE A 53 -0.922 -7.812 3.478 1.00 0.00 C ATOM 820 C PHE A 53 0.273 -6.891 3.732 1.00 0.00 C ATOM 821 O PHE A 53 1.229 -7.272 4.415 1.00 0.00 O ATOM 822 CB PHE A 53 -2.152 -7.499 4.353 1.00 0.00 C ATOM 823 CG PHE A 53 -1.882 -6.959 5.744 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.252 -7.768 6.706 1.00 0.00 C ATOM 825 CD2 PHE A 53 -2.293 -5.655 6.089 1.00 0.00 C ATOM 826 CE1 PHE A 53 -1.038 -7.279 8.004 1.00 0.00 C ATOM 827 CE2 PHE A 53 -2.109 -5.180 7.399 1.00 0.00 C ATOM 828 CZ PHE A 53 -1.489 -5.996 8.360 1.00 0.00 C ATOM 0 H PHE A 53 0.162 -9.294 4.456 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.255 -7.648 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.771 -6.776 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.740 -8.411 4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.933 -8.766 6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.750 -5.020 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.525 -7.890 8.732 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.444 -4.189 7.667 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.359 -5.638 9.371 1.00 0.00 H new ATOM 838 N ALA A 54 0.257 -5.693 3.160 1.00 0.00 N ATOM 839 CA ALA A 54 1.344 -4.731 3.265 1.00 0.00 C ATOM 840 C ALA A 54 0.792 -3.318 3.219 1.00 0.00 C ATOM 841 O ALA A 54 -0.408 -3.091 3.010 1.00 0.00 O ATOM 842 CB ALA A 54 2.366 -4.930 2.137 1.00 0.00 C ATOM 0 H ALA A 54 -0.527 -5.358 2.600 1.00 0.00 H new ATOM 0 HA ALA A 54 1.850 -4.891 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.168 -4.198 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.783 -5.935 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.874 -4.798 1.173 1.00 0.00 H new ATOM 848 N PHE A 55 1.691 -2.360 3.392 1.00 0.00 N ATOM 849 CA PHE A 55 1.395 -0.956 3.422 1.00 0.00 C ATOM 850 C PHE A 55 2.454 -0.234 2.591 1.00 0.00 C ATOM 851 O PHE A 55 3.594 -0.698 2.491 1.00 0.00 O ATOM 852 CB PHE A 55 1.414 -0.568 4.901 1.00 0.00 C ATOM 853 CG PHE A 55 1.275 0.905 5.146 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.055 1.533 4.860 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.369 1.647 5.623 1.00 0.00 C ATOM 856 CE1 PHE A 55 -0.060 2.921 5.004 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.243 3.031 5.800 1.00 0.00 C ATOM 858 CZ PHE A 55 1.034 3.667 5.484 1.00 0.00 C ATOM 0 H PHE A 55 2.683 -2.560 3.519 1.00 0.00 H new ATOM 0 HA PHE A 55 0.428 -0.689 2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.605 -1.089 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.348 -0.913 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.792 0.949 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.302 1.153 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.984 3.418 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.075 3.606 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.941 4.736 5.609 1.00 0.00 H new ATOM 868 N VAL A 56 2.062 0.874 1.970 1.00 0.00 N ATOM 869 CA VAL A 56 2.903 1.708 1.129 1.00 0.00 C ATOM 870 C VAL A 56 2.437 3.142 1.395 1.00 0.00 C ATOM 871 O VAL A 56 1.227 3.377 1.540 1.00 0.00 O ATOM 872 CB VAL A 56 2.764 1.300 -0.360 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.723 2.100 -1.250 1.00 0.00 C ATOM 874 CG2 VAL A 56 3.052 -0.189 -0.636 1.00 0.00 C ATOM 0 H VAL A 56 1.108 1.227 2.045 1.00 0.00 H new ATOM 0 HA VAL A 56 3.964 1.600 1.356 1.00 0.00 H new ATOM 0 HB VAL A 56 1.720 1.510 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.600 1.790 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.501 3.163 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.750 1.916 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.933 -0.391 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.073 -0.424 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.355 -0.806 -0.069 1.00 0.00 H new ATOM 884 N THR A 57 3.380 4.079 1.444 1.00 0.00 N ATOM 885 CA THR A 57 3.147 5.479 1.743 1.00 0.00 C ATOM 886 C THR A 57 3.641 6.285 0.549 1.00 0.00 C ATOM 887 O THR A 57 4.847 6.337 0.270 1.00 0.00 O ATOM 888 CB THR A 57 3.873 5.903 3.028 1.00 0.00 C ATOM 889 OG1 THR A 57 4.022 4.830 3.942 1.00 0.00 O ATOM 890 CG2 THR A 57 3.083 7.000 3.747 1.00 0.00 C ATOM 0 H THR A 57 4.363 3.871 1.269 1.00 0.00 H new ATOM 0 HA THR A 57 2.085 5.656 1.913 1.00 0.00 H new ATOM 0 HB THR A 57 4.857 6.256 2.719 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.143 4.572 4.289 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.609 7.291 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.984 7.866 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.093 6.625 4.005 1.00 0.00 H new ATOM 898 N PHE A 58 2.710 6.890 -0.182 1.00 0.00 N ATOM 899 CA PHE A 58 3.057 7.668 -1.352 1.00 0.00 C ATOM 900 C PHE A 58 3.216 9.129 -0.967 1.00 0.00 C ATOM 901 O PHE A 58 2.572 9.636 -0.041 1.00 0.00 O ATOM 902 CB PHE A 58 2.052 7.478 -2.492 1.00 0.00 C ATOM 903 CG PHE A 58 1.910 6.046 -2.976 1.00 0.00 C ATOM 904 CD1 PHE A 58 1.200 5.112 -2.198 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.480 5.633 -4.198 1.00 0.00 C ATOM 906 CE1 PHE A 58 1.048 3.790 -2.640 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.273 4.327 -4.666 1.00 0.00 C ATOM 908 CZ PHE A 58 1.556 3.403 -3.886 1.00 0.00 C ATOM 0 H PHE A 58 1.711 6.853 0.020 1.00 0.00 H new ATOM 0 HA PHE A 58 4.011 7.306 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.076 7.835 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.353 8.104 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.770 5.416 -1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.077 6.324 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.538 3.069 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.665 4.031 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.397 2.397 -4.247 1.00 0.00 H new ATOM 918 N GLU A 59 4.111 9.784 -1.691 1.00 0.00 N ATOM 919 CA GLU A 59 4.573 11.132 -1.467 1.00 0.00 C ATOM 920 C GLU A 59 3.410 12.096 -1.622 1.00 0.00 C ATOM 921 O GLU A 59 3.185 12.919 -0.733 1.00 0.00 O ATOM 922 CB GLU A 59 5.714 11.426 -2.446 1.00 0.00 C ATOM 923 CG GLU A 59 6.602 12.591 -1.985 1.00 0.00 C ATOM 924 CD GLU A 59 6.769 13.744 -2.977 1.00 0.00 C ATOM 925 OE1 GLU A 59 6.949 13.489 -4.210 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.831 14.903 -2.537 1.00 0.00 O ATOM 0 H GLU A 59 4.558 9.354 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 59 4.958 11.254 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.326 10.532 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.296 11.658 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.189 12.992 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.590 12.196 -1.748 1.00 0.00 H new ATOM 933 N SER A 60 2.632 11.960 -2.694 1.00 0.00 N ATOM 934 CA SER A 60 1.535 12.854 -3.023 1.00 0.00 C ATOM 935 C SER A 60 0.197 12.099 -2.940 1.00 0.00 C ATOM 936 O SER A 60 0.142 10.889 -3.157 1.00 0.00 O ATOM 937 CB SER A 60 1.856 13.482 -4.385 1.00 0.00 C ATOM 938 OG SER A 60 3.039 14.259 -4.225 1.00 0.00 O ATOM 0 H SER A 60 2.754 11.206 -3.370 1.00 0.00 H new ATOM 0 HA SER A 60 1.424 13.671 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.003 12.709 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.029 14.106 -4.725 1.00 0.00 H new ATOM 0 HG SER A 60 3.275 14.675 -5.080 1.00 0.00 H new ATOM 944 N PRO A 61 -0.906 12.778 -2.586 1.00 0.00 N ATOM 945 CA PRO A 61 -2.150 12.106 -2.219 1.00 0.00 C ATOM 946 C PRO A 61 -2.897 11.546 -3.428 1.00 0.00 C ATOM 947 O PRO A 61 -3.647 10.577 -3.287 1.00 0.00 O ATOM 948 CB PRO A 61 -2.985 13.175 -1.516 1.00 0.00 C ATOM 949 CG PRO A 61 -2.485 14.482 -2.116 1.00 0.00 C ATOM 950 CD PRO A 61 -1.008 14.211 -2.365 1.00 0.00 C ATOM 0 HA PRO A 61 -1.950 11.242 -1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.050 13.034 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.840 13.150 -0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.010 14.728 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.631 15.320 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.648 14.768 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.403 14.520 -1.512 1.00 0.00 H new ATOM 958 N ALA A 62 -2.717 12.162 -4.600 1.00 0.00 N ATOM 959 CA ALA A 62 -3.344 11.726 -5.835 1.00 0.00 C ATOM 960 C ALA A 62 -2.716 10.425 -6.331 1.00 0.00 C ATOM 961 O ALA A 62 -3.428 9.559 -6.840 1.00 0.00 O ATOM 962 CB ALA A 62 -3.234 12.841 -6.878 1.00 0.00 C ATOM 0 H ALA A 62 -2.125 12.985 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.400 11.522 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.704 12.518 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.737 13.735 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.183 13.065 -7.061 1.00 0.00 H new ATOM 968 N ASP A 63 -1.416 10.247 -6.095 1.00 0.00 N ATOM 969 CA ASP A 63 -0.677 9.015 -6.366 1.00 0.00 C ATOM 970 C ASP A 63 -1.397 7.862 -5.681 1.00 0.00 C ATOM 971 O ASP A 63 -1.696 6.835 -6.284 1.00 0.00 O ATOM 972 CB ASP A 63 0.759 9.086 -5.808 1.00 0.00 C ATOM 973 CG ASP A 63 1.628 10.244 -6.288 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.167 11.057 -7.126 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.781 10.330 -5.815 1.00 0.00 O ATOM 0 H ASP A 63 -0.830 10.981 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.626 8.873 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.699 9.135 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.267 8.154 -6.058 1.00 0.00 H new ATOM 980 N ALA A 64 -1.747 8.065 -4.407 1.00 0.00 N ATOM 981 CA ALA A 64 -2.348 7.025 -3.594 1.00 0.00 C ATOM 982 C ALA A 64 -3.816 6.780 -3.951 1.00 0.00 C ATOM 983 O ALA A 64 -4.367 5.746 -3.576 1.00 0.00 O ATOM 984 CB ALA A 64 -2.225 7.396 -2.118 1.00 0.00 C ATOM 0 H ALA A 64 -1.619 8.952 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.810 6.098 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.677 6.614 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.172 7.499 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.738 8.340 -1.936 1.00 0.00 H new ATOM 990 N LYS A 65 -4.481 7.723 -4.622 1.00 0.00 N ATOM 991 CA LYS A 65 -5.805 7.481 -5.186 1.00 0.00 C ATOM 992 C LYS A 65 -5.653 6.625 -6.438 1.00 0.00 C ATOM 993 O LYS A 65 -6.356 5.629 -6.567 1.00 0.00 O ATOM 994 CB LYS A 65 -6.521 8.808 -5.482 1.00 0.00 C ATOM 995 CG LYS A 65 -7.087 9.442 -4.203 1.00 0.00 C ATOM 996 CD LYS A 65 -7.614 10.857 -4.482 1.00 0.00 C ATOM 997 CE LYS A 65 -8.399 11.448 -3.303 1.00 0.00 C ATOM 998 NZ LYS A 65 -9.684 10.750 -3.075 1.00 0.00 N ATOM 0 H LYS A 65 -4.121 8.663 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.425 6.945 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.824 9.500 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.330 8.635 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.891 8.821 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.312 9.482 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.775 11.512 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.256 10.833 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.792 11.390 -2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.591 12.504 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.245 11.275 -2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.212 10.694 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.499 9.790 -2.721 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.740 6.980 -7.344 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.587 6.265 -8.610 1.00 0.00 C ATOM 1014 C ASP A 66 -4.093 4.847 -8.376 1.00 0.00 C ATOM 1015 O ASP A 66 -4.630 3.917 -8.967 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.628 6.970 -9.571 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.351 7.391 -10.847 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.235 8.277 -10.755 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.051 6.854 -11.938 1.00 0.00 O ATOM 0 H ASP A 66 -4.094 7.760 -7.223 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.576 6.245 -9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.198 7.846 -9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.801 6.305 -9.819 1.00 0.00 H new ATOM 1024 N ALA A 67 -3.113 4.659 -7.489 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.614 3.340 -7.125 1.00 0.00 C ATOM 1026 C ALA A 67 -3.765 2.440 -6.664 1.00 0.00 C ATOM 1027 O ALA A 67 -3.814 1.263 -7.028 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.557 3.491 -6.026 1.00 0.00 C ATOM 0 H ALA A 67 -2.644 5.424 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.157 2.868 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.178 2.507 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.735 4.106 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.005 3.967 -5.154 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.712 2.996 -5.897 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.894 2.275 -5.454 1.00 0.00 C ATOM 1036 C ALA A 68 -6.902 2.007 -6.579 1.00 0.00 C ATOM 1037 O ALA A 68 -7.697 1.074 -6.439 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.579 3.040 -4.315 1.00 0.00 C ATOM 0 H ALA A 68 -4.672 3.961 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.549 1.302 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.464 2.493 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.888 3.143 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.873 4.029 -4.666 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.924 2.809 -7.654 1.00 0.00 N ATOM 1045 CA ARG A 69 -8.069 2.888 -8.574 1.00 0.00 C ATOM 1046 C ARG A 69 -7.710 2.549 -10.016 1.00 0.00 C ATOM 1047 O ARG A 69 -8.595 2.465 -10.868 1.00 0.00 O ATOM 1048 CB ARG A 69 -8.721 4.275 -8.457 1.00 0.00 C ATOM 1049 CG ARG A 69 -9.491 4.439 -7.141 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.745 5.915 -6.839 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.748 6.105 -5.781 1.00 0.00 N ATOM 1052 CZ ARG A 69 -11.246 7.291 -5.413 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -10.802 8.399 -6.002 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.165 7.368 -4.462 1.00 0.00 N ATOM 0 H ARG A 69 -6.149 3.421 -7.910 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.788 2.125 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.952 5.044 -8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.400 4.428 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.441 3.907 -7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.925 3.989 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.810 6.388 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.079 6.417 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.088 5.276 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.088 8.340 -6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.176 9.307 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.498 6.519 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.540 8.276 -4.187 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.439 2.315 -10.321 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.982 1.733 -11.578 1.00 0.00 C ATOM 1070 C ASP A 70 -5.689 0.256 -11.344 1.00 0.00 C ATOM 1071 O ASP A 70 -6.329 -0.606 -11.951 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.732 2.458 -12.083 1.00 0.00 C ATOM 1073 CG ASP A 70 -4.182 1.788 -13.343 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -3.434 0.790 -13.229 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -4.454 2.294 -14.455 1.00 0.00 O ATOM 0 H ASP A 70 -5.675 2.531 -9.681 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.755 1.840 -12.339 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.972 3.500 -12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.969 2.460 -11.305 1.00 0.00 H new ATOM 1080 N MET A 71 -4.740 -0.031 -10.447 1.00 0.00 N ATOM 1081 CA MET A 71 -4.100 -1.337 -10.319 1.00 0.00 C ATOM 1082 C MET A 71 -4.967 -2.391 -9.626 1.00 0.00 C ATOM 1083 O MET A 71 -4.667 -3.580 -9.732 1.00 0.00 O ATOM 1084 CB MET A 71 -2.746 -1.171 -9.617 1.00 0.00 C ATOM 1085 CG MET A 71 -1.740 -2.100 -10.313 1.00 0.00 C ATOM 1086 SD MET A 71 -0.265 -2.539 -9.385 1.00 0.00 S ATOM 1087 CE MET A 71 -1.161 -3.472 -8.130 1.00 0.00 C ATOM 0 H MET A 71 -4.391 0.655 -9.778 1.00 0.00 H new ATOM 0 HA MET A 71 -3.950 -1.722 -11.328 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.411 -0.135 -9.673 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.830 -1.423 -8.560 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.258 -3.020 -10.583 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.427 -1.626 -11.243 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.559 -4.322 -7.809 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.365 -2.828 -7.274 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.102 -3.831 -8.546 1.00 0.00 H new ATOM 1097 N ASN A 72 -6.033 -1.986 -8.932 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.932 -2.909 -8.254 1.00 0.00 C ATOM 1099 C ASN A 72 -7.556 -3.886 -9.261 1.00 0.00 C ATOM 1100 O ASN A 72 -8.123 -3.494 -10.283 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.988 -2.135 -7.449 1.00 0.00 C ATOM 1102 CG ASN A 72 -9.265 -2.938 -7.260 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.290 -3.903 -6.502 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -10.319 -2.594 -7.975 1.00 0.00 N ATOM 0 H ASN A 72 -6.294 -1.005 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.364 -3.507 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.578 -1.871 -6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.220 -1.201 -7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.181 -3.135 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.272 -1.787 -8.598 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.453 -5.172 -8.943 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.076 -6.295 -9.622 1.00 0.00 C ATOM 1113 C GLY A 73 -7.085 -7.176 -10.381 1.00 0.00 C ATOM 1114 O GLY A 73 -7.458 -8.298 -10.740 1.00 0.00 O ATOM 0 H GLY A 73 -6.891 -5.475 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.604 -6.905 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.823 -5.918 -10.320 1.00 0.00 H new ATOM 1118 N LYS A 74 -5.844 -6.733 -10.632 1.00 0.00 N ATOM 1119 CA LYS A 74 -4.843 -7.614 -11.242 1.00 0.00 C ATOM 1120 C LYS A 74 -4.118 -8.435 -10.182 1.00 0.00 C ATOM 1121 O LYS A 74 -3.981 -8.024 -9.032 1.00 0.00 O ATOM 1122 CB LYS A 74 -3.859 -6.843 -12.130 1.00 0.00 C ATOM 1123 CG LYS A 74 -2.803 -6.031 -11.368 1.00 0.00 C ATOM 1124 CD LYS A 74 -1.935 -5.212 -12.327 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.738 -4.092 -13.012 1.00 0.00 C ATOM 1126 NZ LYS A 74 -2.445 -4.007 -14.451 1.00 0.00 N ATOM 0 H LYS A 74 -5.516 -5.789 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.376 -8.306 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.350 -7.551 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.424 -6.166 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.295 -5.365 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.172 -6.704 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.099 -4.777 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.511 -5.870 -13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.804 -4.270 -12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.507 -3.138 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.006 -3.241 -14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.433 -3.812 -14.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.689 -4.908 -14.909 1.00 0.00 H new ATOM 1140 N SER A 75 -3.579 -9.566 -10.615 1.00 0.00 N ATOM 1141 CA SER A 75 -2.650 -10.377 -9.854 1.00 0.00 C ATOM 1142 C SER A 75 -1.272 -9.724 -9.919 1.00 0.00 C ATOM 1143 O SER A 75 -0.962 -8.933 -10.813 1.00 0.00 O ATOM 1144 CB SER A 75 -2.703 -11.793 -10.430 1.00 0.00 C ATOM 1145 OG SER A 75 -1.539 -12.549 -10.225 1.00 0.00 O ATOM 0 H SER A 75 -3.785 -9.953 -11.536 1.00 0.00 H new ATOM 0 HA SER A 75 -2.904 -10.446 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.547 -12.321 -9.986 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.895 -11.729 -11.501 1.00 0.00 H new ATOM 0 HG SER A 75 -1.164 -12.813 -11.091 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.437 -10.105 -8.963 1.00 0.00 N ATOM 1152 CA LEU A 76 0.951 -9.743 -8.843 1.00 0.00 C ATOM 1153 C LEU A 76 1.737 -11.036 -8.920 1.00 0.00 C ATOM 1154 O LEU A 76 1.633 -11.854 -8.013 1.00 0.00 O ATOM 1155 CB LEU A 76 1.178 -9.036 -7.500 1.00 0.00 C ATOM 1156 CG LEU A 76 2.580 -8.421 -7.453 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.535 -7.078 -8.190 1.00 0.00 C ATOM 1158 CD2 LEU A 76 3.047 -8.233 -6.010 1.00 0.00 C ATOM 0 H LEU A 76 -0.741 -10.716 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 76 1.267 -9.059 -9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.427 -8.258 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.058 -9.747 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 76 3.294 -9.088 -7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.523 -6.619 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.231 -7.240 -9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.819 -6.418 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.045 -7.795 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.357 -7.570 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.072 -9.200 -5.507 1.00 0.00 H new ATOM 1170 N ASP A 77 2.454 -11.259 -10.021 1.00 0.00 N ATOM 1171 CA ASP A 77 3.304 -12.434 -10.254 1.00 0.00 C ATOM 1172 C ASP A 77 2.534 -13.761 -10.345 1.00 0.00 C ATOM 1173 O ASP A 77 3.118 -14.791 -10.676 1.00 0.00 O ATOM 1174 CB ASP A 77 4.422 -12.500 -9.197 1.00 0.00 C ATOM 1175 CG ASP A 77 5.610 -13.323 -9.686 1.00 0.00 C ATOM 1176 OD1 ASP A 77 6.365 -12.811 -10.544 1.00 0.00 O ATOM 1177 OD2 ASP A 77 5.817 -14.457 -9.191 1.00 0.00 O ATOM 0 H ASP A 77 2.462 -10.606 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 77 3.748 -12.301 -11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.754 -11.491 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.030 -12.937 -8.279 1.00 0.00 H new ATOM 1182 N GLY A 78 1.220 -13.757 -10.131 1.00 0.00 N ATOM 1183 CA GLY A 78 0.341 -14.917 -10.058 1.00 0.00 C ATOM 1184 C GLY A 78 -0.392 -15.010 -8.712 1.00 0.00 C ATOM 1185 O GLY A 78 -1.099 -15.993 -8.466 1.00 0.00 O ATOM 0 H GLY A 78 0.710 -12.884 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.390 -14.867 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.926 -15.823 -10.214 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.222 -14.022 -7.825 1.00 0.00 N ATOM 1190 CA LYS A 79 -0.865 -13.918 -6.526 1.00 0.00 C ATOM 1191 C LYS A 79 -1.995 -12.930 -6.723 1.00 0.00 C ATOM 1192 O LYS A 79 -1.752 -11.792 -7.123 1.00 0.00 O ATOM 1193 CB LYS A 79 0.126 -13.405 -5.464 1.00 0.00 C ATOM 1194 CG LYS A 79 1.459 -14.169 -5.366 1.00 0.00 C ATOM 1195 CD LYS A 79 1.292 -15.679 -5.158 1.00 0.00 C ATOM 1196 CE LYS A 79 2.555 -16.304 -4.540 1.00 0.00 C ATOM 1197 NZ LYS A 79 3.695 -16.476 -5.471 1.00 0.00 N ATOM 0 H LYS A 79 0.402 -13.237 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.224 -14.885 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.344 -12.358 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.363 -13.440 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.033 -13.998 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.042 -13.760 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.437 -15.866 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.077 -16.158 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.879 -15.681 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.294 -17.278 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.496 -16.903 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.412 -17.097 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.978 -15.549 -5.848 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.230 -13.356 -6.507 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.370 -12.461 -6.568 1.00 0.00 C ATOM 1213 C ALA A 80 -4.312 -11.528 -5.361 1.00 0.00 C ATOM 1214 O ALA A 80 -4.661 -11.945 -4.253 1.00 0.00 O ATOM 1215 CB ALA A 80 -5.652 -13.281 -6.546 1.00 0.00 C ATOM 0 H ALA A 80 -3.467 -14.323 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.350 -11.872 -7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.512 -12.613 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.669 -13.953 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.695 -13.865 -5.627 1.00 0.00 H new ATOM 1221 N ILE A 81 -3.860 -10.290 -5.547 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.781 -9.301 -4.474 1.00 0.00 C ATOM 1223 C ILE A 81 -5.155 -8.621 -4.290 1.00 0.00 C ATOM 1224 O ILE A 81 -6.141 -9.004 -4.928 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.589 -8.336 -4.711 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.857 -7.271 -5.784 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.312 -9.126 -5.049 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.802 -6.161 -5.823 1.00 0.00 C ATOM 0 H ILE A 81 -3.537 -9.943 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.562 -9.780 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.451 -7.796 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.901 -7.754 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.835 -6.825 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.487 -8.432 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.067 -9.793 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.476 -9.713 -5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.056 -5.445 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.774 -5.652 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.825 -6.595 -6.033 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.240 -7.619 -3.416 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.303 -6.609 -3.363 1.00 0.00 C ATOM 1242 C LYS A 82 -5.625 -5.263 -3.164 1.00 0.00 C ATOM 1243 O LYS A 82 -4.630 -5.225 -2.436 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.259 -6.885 -2.179 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.420 -7.821 -2.536 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.529 -7.110 -3.327 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.245 -8.068 -4.284 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.030 -9.119 -3.604 1.00 0.00 N ATOM 0 H LYS A 82 -4.537 -7.480 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.892 -6.629 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.691 -7.321 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.663 -5.938 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.040 -8.658 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.841 -8.237 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.252 -6.680 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.100 -6.283 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.909 -7.492 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.505 -8.541 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.485 -9.727 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.399 -9.693 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.760 -8.677 -3.009 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.172 -4.177 -3.718 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.707 -2.833 -3.412 1.00 0.00 C ATOM 1264 C VAL A 83 -6.942 -2.013 -3.047 1.00 0.00 C ATOM 1265 O VAL A 83 -7.921 -1.970 -3.795 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.909 -2.234 -4.588 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.228 -0.933 -4.146 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.811 -3.168 -5.120 1.00 0.00 C ATOM 0 H VAL A 83 -6.943 -4.210 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.009 -2.835 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.634 -2.067 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.666 -0.515 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.985 -0.218 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.549 -1.141 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.290 -2.684 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.102 -3.387 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.262 -4.097 -5.470 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.902 -1.395 -1.874 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.928 -0.566 -1.269 1.00 0.00 C ATOM 1280 C GLU A 84 -7.228 0.631 -0.638 1.00 0.00 C ATOM 1281 O GLU A 84 -6.001 0.740 -0.649 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.665 -1.369 -0.178 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.438 -2.604 -0.663 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.784 -2.278 -1.305 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -11.069 -1.098 -1.612 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -11.622 -3.200 -1.440 1.00 0.00 O ATOM 0 H GLU A 84 -6.081 -1.469 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.655 -0.242 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.935 -1.690 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.363 -0.702 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.824 -3.145 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.602 -3.273 0.182 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.004 1.523 -0.036 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.478 2.641 0.717 1.00 0.00 C ATOM 1295 C GLN A 85 -7.798 2.384 2.175 1.00 0.00 C ATOM 1296 O GLN A 85 -8.845 1.828 2.511 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.109 3.945 0.246 1.00 0.00 C ATOM 1298 CG GLN A 85 -7.819 4.216 -1.236 1.00 0.00 C ATOM 1299 CD GLN A 85 -8.457 5.528 -1.669 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -7.808 6.445 -2.162 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -9.742 5.658 -1.419 1.00 0.00 N ATOM 0 H GLN A 85 -9.023 1.486 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.402 2.735 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.187 3.905 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.729 4.771 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.742 4.256 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.205 3.398 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.263 4.883 -1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.218 6.534 -1.635 1.00 0.00 H new ATOM 1310 N ALA A 86 -6.887 2.831 3.026 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.011 2.697 4.472 1.00 0.00 C ATOM 1312 C ALA A 86 -7.781 3.917 4.972 1.00 0.00 C ATOM 1313 O ALA A 86 -7.177 4.973 5.185 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.629 2.557 5.127 1.00 0.00 C ATOM 0 H ALA A 86 -6.032 3.302 2.731 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.555 1.792 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.746 2.458 6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.128 1.672 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.031 3.441 4.906 1.00 0.00 H new ATOM 1320 N THR A 87 -9.101 3.811 5.082 1.00 0.00 N ATOM 1321 CA THR A 87 -10.006 4.924 5.368 1.00 0.00 C ATOM 1322 C THR A 87 -11.044 4.515 6.421 1.00 0.00 C ATOM 1323 O THR A 87 -10.810 3.584 7.193 1.00 0.00 O ATOM 1324 CB THR A 87 -10.611 5.490 4.059 1.00 0.00 C ATOM 1325 OG1 THR A 87 -9.907 5.137 2.882 1.00 0.00 O ATOM 1326 CG2 THR A 87 -10.615 7.015 4.113 1.00 0.00 C ATOM 0 H THR A 87 -9.588 2.922 4.972 1.00 0.00 H new ATOM 0 HA THR A 87 -9.447 5.749 5.809 1.00 0.00 H new ATOM 0 HB THR A 87 -11.609 5.056 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.353 5.531 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.041 7.411 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.213 7.347 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.593 7.378 4.225 1.00 0.00 H new