USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot 103:sc= 0.184 USER MOD Set 1.2: A 58 THR OG1 : rot 131:sc= 2.1 USER MOD Set 2.1: A 44 ASN : amide:sc= -0.466 K(o=0.74,f=-14!) USER MOD Set 2.2: A 65 SER OG : rot 95:sc= 1.21 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.7!) USER MOD Single : A 16 SER OG : rot 30:sc= -0.148 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -153:sc= -2.27! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= -0.128 (180deg=-2.06!) USER MOD Single : A 40 MET CE :methyl 147:sc= -1.26 (180deg=-3.82!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0572 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.39) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.558 F(o=-1.4,f=-0.56) USER MOD Single : A 69 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -32:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 15.098 -1.338 9.132 1.00 0.00 N ATOM 131 CA SER A 10 13.813 -1.885 9.530 1.00 0.00 C ATOM 132 C SER A 10 13.073 -2.467 8.329 1.00 0.00 C ATOM 133 O SER A 10 12.245 -1.795 7.714 1.00 0.00 O ATOM 134 CB SER A 10 12.959 -0.808 10.203 1.00 0.00 C ATOM 135 OG SER A 10 12.023 -1.385 11.097 1.00 0.00 O ATOM 0 HA SER A 10 13.995 -2.688 10.244 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.603 -0.114 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.433 -0.229 9.444 1.00 0.00 H new ATOM 0 HG SER A 10 11.491 -0.677 11.516 1.00 0.00 H new ATOM 141 N PRO A 11 13.365 -3.730 7.976 1.00 0.00 N ATOM 142 CA PRO A 11 12.727 -4.404 6.842 1.00 0.00 C ATOM 143 C PRO A 11 11.254 -4.708 7.097 1.00 0.00 C ATOM 144 O PRO A 11 10.504 -5.007 6.167 1.00 0.00 O ATOM 145 CB PRO A 11 13.521 -5.705 6.683 1.00 0.00 C ATOM 146 CG PRO A 11 14.720 -5.565 7.564 1.00 0.00 C ATOM 147 CD PRO A 11 14.336 -4.601 8.648 1.00 0.00 C ATOM 0 HA PRO A 11 12.740 -3.777 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.921 -6.567 6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.815 -5.858 5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.008 -6.528 7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.576 -5.195 7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.897 -5.110 9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.196 -4.041 9.015 1.00 0.00 H new ATOM 155 N ASP A 12 10.845 -4.631 8.358 1.00 0.00 N ATOM 156 CA ASP A 12 9.461 -4.899 8.728 1.00 0.00 C ATOM 157 C ASP A 12 8.522 -3.860 8.127 1.00 0.00 C ATOM 158 O ASP A 12 7.336 -4.122 7.929 1.00 0.00 O ATOM 159 CB ASP A 12 9.312 -4.925 10.247 1.00 0.00 C ATOM 160 CG ASP A 12 8.963 -6.304 10.772 1.00 0.00 C ATOM 161 OD1 ASP A 12 7.763 -6.648 10.787 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.891 -7.040 11.168 1.00 0.00 O ATOM 0 H ASP A 12 11.451 -4.385 9.140 1.00 0.00 H new ATOM 0 HA ASP A 12 9.189 -5.876 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.242 -4.590 10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.537 -4.219 10.545 1.00 0.00 H new ATOM 167 N ILE A 13 9.062 -2.686 7.832 1.00 0.00 N ATOM 168 CA ILE A 13 8.275 -1.614 7.247 1.00 0.00 C ATOM 169 C ILE A 13 7.971 -1.911 5.792 1.00 0.00 C ATOM 170 O ILE A 13 6.813 -1.937 5.375 1.00 0.00 O ATOM 171 CB ILE A 13 8.984 -0.260 7.351 1.00 0.00 C ATOM 172 CG1 ILE A 13 9.557 -0.058 8.756 1.00 0.00 C ATOM 173 CG2 ILE A 13 8.031 0.870 6.992 1.00 0.00 C ATOM 174 CD1 ILE A 13 8.518 -0.161 9.852 1.00 0.00 C ATOM 0 H ILE A 13 10.043 -2.453 7.989 1.00 0.00 H new ATOM 0 HA ILE A 13 7.345 -1.556 7.813 1.00 0.00 H new ATOM 0 HB ILE A 13 9.811 -0.250 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.335 -0.801 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.033 0.921 8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.552 1.824 7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.675 0.735 5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.183 0.862 7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.994 -0.008 10.820 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.752 0.599 9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.059 -1.149 9.826 1.00 0.00 H new ATOM 186 N GLU A 14 9.022 -2.155 5.033 1.00 0.00 N ATOM 187 CA GLU A 14 8.884 -2.479 3.624 1.00 0.00 C ATOM 188 C GLU A 14 8.142 -3.798 3.463 1.00 0.00 C ATOM 189 O GLU A 14 7.522 -4.055 2.431 1.00 0.00 O ATOM 190 CB GLU A 14 10.256 -2.558 2.953 1.00 0.00 C ATOM 191 CG GLU A 14 10.967 -1.218 2.861 1.00 0.00 C ATOM 192 CD GLU A 14 12.477 -1.356 2.889 1.00 0.00 C ATOM 193 OE1 GLU A 14 13.068 -1.621 1.822 1.00 0.00 O ATOM 194 OE2 GLU A 14 13.067 -1.199 3.979 1.00 0.00 O ATOM 0 H GLU A 14 9.985 -2.135 5.369 1.00 0.00 H new ATOM 0 HA GLU A 14 8.310 -1.689 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.883 -3.255 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.137 -2.966 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.669 -0.715 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.648 -0.584 3.689 1.00 0.00 H new ATOM 201 N GLN A 15 8.203 -4.628 4.501 1.00 0.00 N ATOM 202 CA GLN A 15 7.533 -5.913 4.490 1.00 0.00 C ATOM 203 C GLN A 15 6.045 -5.740 4.723 1.00 0.00 C ATOM 204 O GLN A 15 5.217 -6.350 4.047 1.00 0.00 O ATOM 205 CB GLN A 15 8.131 -6.826 5.540 1.00 0.00 C ATOM 206 CG GLN A 15 9.162 -7.774 4.969 1.00 0.00 C ATOM 207 CD GLN A 15 8.539 -8.984 4.301 1.00 0.00 C ATOM 208 OE1 GLN A 15 7.872 -8.866 3.273 1.00 0.00 O ATOM 209 NE2 GLN A 15 8.755 -10.158 4.884 1.00 0.00 N ATOM 0 H GLN A 15 8.713 -4.427 5.361 1.00 0.00 H new ATOM 0 HA GLN A 15 7.676 -6.369 3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.592 -6.222 6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.335 -7.402 6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.778 -7.241 4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.825 -8.106 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.314 -10.209 5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.362 -11.008 4.480 1.00 0.00 H new ATOM 218 N SER A 16 5.718 -4.884 5.676 1.00 0.00 N ATOM 219 CA SER A 16 4.332 -4.597 6.001 1.00 0.00 C ATOM 220 C SER A 16 3.662 -3.864 4.845 1.00 0.00 C ATOM 221 O SER A 16 2.438 -3.867 4.717 1.00 0.00 O ATOM 222 CB SER A 16 4.243 -3.760 7.278 1.00 0.00 C ATOM 223 OG SER A 16 2.966 -3.879 7.879 1.00 0.00 O ATOM 0 H SER A 16 6.397 -4.374 6.240 1.00 0.00 H new ATOM 0 HA SER A 16 3.813 -5.541 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.011 -4.082 7.982 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.443 -2.714 7.045 1.00 0.00 H new ATOM 0 HG SER A 16 2.591 -4.762 7.678 1.00 0.00 H new ATOM 229 N PHE A 17 4.480 -3.237 4.003 1.00 0.00 N ATOM 230 CA PHE A 17 3.979 -2.502 2.855 1.00 0.00 C ATOM 231 C PHE A 17 3.496 -3.452 1.773 1.00 0.00 C ATOM 232 O PHE A 17 2.460 -3.227 1.149 1.00 0.00 O ATOM 233 CB PHE A 17 5.060 -1.578 2.305 1.00 0.00 C ATOM 234 CG PHE A 17 4.848 -0.130 2.642 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.491 0.251 3.925 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.009 0.850 1.676 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.298 1.583 4.239 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.817 2.184 1.983 1.00 0.00 C ATOM 239 CZ PHE A 17 4.461 2.551 3.267 1.00 0.00 C ATOM 0 H PHE A 17 5.495 -3.226 4.099 1.00 0.00 H new ATOM 0 HA PHE A 17 3.132 -1.897 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.028 -1.894 2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.101 -1.687 1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.362 -0.502 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.288 0.568 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.020 1.867 5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.945 2.938 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.311 3.592 3.510 1.00 0.00 H new ATOM 249 N GLN A 18 4.249 -4.521 1.564 1.00 0.00 N ATOM 250 CA GLN A 18 3.886 -5.511 0.562 1.00 0.00 C ATOM 251 C GLN A 18 2.628 -6.248 0.985 1.00 0.00 C ATOM 252 O GLN A 18 1.831 -6.673 0.151 1.00 0.00 O ATOM 253 CB GLN A 18 5.023 -6.510 0.335 1.00 0.00 C ATOM 254 CG GLN A 18 4.595 -7.739 -0.455 1.00 0.00 C ATOM 255 CD GLN A 18 5.773 -8.533 -0.986 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.443 -9.246 -0.239 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.030 -8.413 -2.283 1.00 0.00 N ATOM 0 H GLN A 18 5.110 -4.725 2.071 1.00 0.00 H new ATOM 0 HA GLN A 18 3.699 -4.987 -0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.835 -6.011 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.418 -6.826 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.987 -8.381 0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.966 -7.429 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.448 -7.810 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.810 -8.924 -2.698 1.00 0.00 H new ATOM 266 N GLU A 19 2.459 -6.397 2.288 1.00 0.00 N ATOM 267 CA GLU A 19 1.298 -7.082 2.826 1.00 0.00 C ATOM 268 C GLU A 19 0.034 -6.295 2.530 1.00 0.00 C ATOM 269 O GLU A 19 -1.028 -6.870 2.306 1.00 0.00 O ATOM 270 CB GLU A 19 1.452 -7.306 4.328 1.00 0.00 C ATOM 271 CG GLU A 19 1.443 -8.772 4.729 1.00 0.00 C ATOM 272 CD GLU A 19 2.283 -9.045 5.962 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.515 -9.190 5.820 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.708 -9.112 7.068 1.00 0.00 O ATOM 0 H GLU A 19 3.112 -6.052 2.992 1.00 0.00 H new ATOM 0 HA GLU A 19 1.219 -8.056 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.386 -6.853 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.645 -6.791 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.417 -9.087 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.815 -9.374 3.900 1.00 0.00 H new ATOM 281 N ALA A 20 0.163 -4.978 2.514 1.00 0.00 N ATOM 282 CA ALA A 20 -0.964 -4.112 2.226 1.00 0.00 C ATOM 283 C ALA A 20 -1.157 -3.979 0.724 1.00 0.00 C ATOM 284 O ALA A 20 -2.276 -3.814 0.239 1.00 0.00 O ATOM 285 CB ALA A 20 -0.771 -2.747 2.868 1.00 0.00 C ATOM 0 H ALA A 20 1.038 -4.487 2.697 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.862 -4.560 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.628 -2.113 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.683 -2.862 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.136 -2.286 2.477 1.00 0.00 H new ATOM 291 N LEU A 21 -0.054 -4.070 -0.005 1.00 0.00 N ATOM 292 CA LEU A 21 -0.085 -3.978 -1.452 1.00 0.00 C ATOM 293 C LEU A 21 -0.482 -5.316 -2.062 1.00 0.00 C ATOM 294 O LEU A 21 -1.057 -5.371 -3.149 1.00 0.00 O ATOM 295 CB LEU A 21 1.272 -3.529 -1.989 1.00 0.00 C ATOM 296 CG LEU A 21 1.257 -2.207 -2.759 1.00 0.00 C ATOM 297 CD1 LEU A 21 0.280 -2.281 -3.922 1.00 0.00 C ATOM 298 CD2 LEU A 21 0.900 -1.055 -1.831 1.00 0.00 C ATOM 0 H LEU A 21 0.877 -4.208 0.388 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.830 -3.234 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.965 -3.437 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.663 -4.309 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 21 2.255 -2.028 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.281 -1.333 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.579 -3.082 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.722 -2.482 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.894 -0.122 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.087 -1.226 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.637 -0.990 -1.031 1.00 0.00 H new ATOM 310 N SER A 22 -0.177 -6.393 -1.348 1.00 0.00 N ATOM 311 CA SER A 22 -0.506 -7.731 -1.806 1.00 0.00 C ATOM 312 C SER A 22 -1.957 -8.055 -1.492 1.00 0.00 C ATOM 313 O SER A 22 -2.623 -8.776 -2.235 1.00 0.00 O ATOM 314 CB SER A 22 0.418 -8.763 -1.157 1.00 0.00 C ATOM 315 OG SER A 22 0.314 -10.019 -1.803 1.00 0.00 O ATOM 0 H SER A 22 0.299 -6.362 -0.447 1.00 0.00 H new ATOM 0 HA SER A 22 -0.364 -7.769 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.449 -8.412 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.164 -8.871 -0.103 1.00 0.00 H new ATOM 0 HG SER A 22 0.916 -10.660 -1.370 1.00 0.00 H new ATOM 321 N ILE A 23 -2.439 -7.512 -0.383 1.00 0.00 N ATOM 322 CA ILE A 23 -3.812 -7.732 0.042 1.00 0.00 C ATOM 323 C ILE A 23 -4.771 -6.775 -0.667 1.00 0.00 C ATOM 324 O ILE A 23 -5.975 -7.025 -0.731 1.00 0.00 O ATOM 325 CB ILE A 23 -3.952 -7.591 1.575 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.978 -8.971 2.233 1.00 0.00 C ATOM 327 CG2 ILE A 23 -5.195 -6.796 1.957 1.00 0.00 C ATOM 328 CD1 ILE A 23 -2.621 -9.638 2.294 1.00 0.00 C ATOM 0 H ILE A 23 -1.896 -6.914 0.240 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.078 -8.752 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.085 -7.039 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.372 -8.875 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.665 -9.614 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.258 -6.719 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.135 -5.797 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.082 -7.303 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.716 -10.613 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.233 -9.767 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.935 -9.016 2.869 1.00 0.00 H new ATOM 340 N TYR A 24 -4.232 -5.678 -1.192 1.00 0.00 N ATOM 341 CA TYR A 24 -5.036 -4.689 -1.888 1.00 0.00 C ATOM 342 C TYR A 24 -4.604 -4.547 -3.345 1.00 0.00 C ATOM 343 O TYR A 24 -3.806 -3.672 -3.682 1.00 0.00 O ATOM 344 CB TYR A 24 -4.946 -3.343 -1.184 1.00 0.00 C ATOM 345 CG TYR A 24 -5.430 -3.369 0.247 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.636 -3.972 0.582 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.681 -2.791 1.262 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.081 -3.998 1.890 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.118 -2.812 2.573 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.318 -3.416 2.882 1.00 0.00 C ATOM 351 OH TYR A 24 -6.757 -3.440 4.186 1.00 0.00 O ATOM 0 H TYR A 24 -3.238 -5.455 -1.146 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.071 -5.032 -1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.910 -3.003 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.531 -2.612 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.235 -4.428 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.741 -2.317 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.021 -4.471 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.523 -2.358 3.351 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.385 -2.674 4.671 1.00 0.00 H new ATOM 361 N PRO A 25 -5.131 -5.409 -4.233 1.00 0.00 N ATOM 362 CA PRO A 25 -4.807 -5.384 -5.651 1.00 0.00 C ATOM 363 C PRO A 25 -5.687 -4.404 -6.427 1.00 0.00 C ATOM 364 O PRO A 25 -6.887 -4.630 -6.585 1.00 0.00 O ATOM 365 CB PRO A 25 -5.078 -6.825 -6.107 1.00 0.00 C ATOM 366 CG PRO A 25 -5.794 -7.510 -4.981 1.00 0.00 C ATOM 367 CD PRO A 25 -6.083 -6.475 -3.927 1.00 0.00 C ATOM 0 HA PRO A 25 -3.784 -5.054 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.683 -6.836 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.145 -7.338 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.719 -7.964 -5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.182 -8.313 -4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.113 -6.122 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.934 -6.871 -2.923 1.00 0.00 H new ATOM 375 N PRO A 26 -5.104 -3.298 -6.925 1.00 0.00 N ATOM 376 CA PRO A 26 -5.845 -2.288 -7.685 1.00 0.00 C ATOM 377 C PRO A 26 -6.297 -2.799 -9.051 1.00 0.00 C ATOM 378 O PRO A 26 -7.095 -2.153 -9.730 1.00 0.00 O ATOM 379 CB PRO A 26 -4.849 -1.136 -7.851 1.00 0.00 C ATOM 380 CG PRO A 26 -3.701 -1.451 -6.949 1.00 0.00 C ATOM 381 CD PRO A 26 -3.685 -2.942 -6.791 1.00 0.00 C ATOM 0 HA PRO A 26 -6.761 -1.998 -7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.520 -1.051 -8.887 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.306 -0.183 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.763 -1.095 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.819 -0.959 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.073 -3.423 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.282 -3.242 -5.824 1.00 0.00 H new ATOM 389 N CYS A 27 -5.785 -3.959 -9.450 1.00 0.00 N ATOM 390 CA CYS A 27 -6.141 -4.548 -10.735 1.00 0.00 C ATOM 391 C CYS A 27 -7.641 -4.813 -10.820 1.00 0.00 C ATOM 392 O CYS A 27 -8.110 -5.898 -10.479 1.00 0.00 O ATOM 393 CB CYS A 27 -5.366 -5.845 -10.956 1.00 0.00 C ATOM 394 SG CYS A 27 -4.262 -5.811 -12.388 1.00 0.00 S ATOM 0 H CYS A 27 -5.123 -4.509 -8.902 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.875 -3.837 -11.517 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.779 -6.061 -10.063 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.076 -6.663 -11.077 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.649 -6.953 -12.490 1.00 0.00 H new ATOM 400 N GLY A 28 -8.388 -3.813 -11.277 1.00 0.00 N ATOM 401 CA GLY A 28 -9.827 -3.957 -11.399 1.00 0.00 C ATOM 402 C GLY A 28 -10.498 -4.234 -10.069 1.00 0.00 C ATOM 403 O GLY A 28 -11.324 -5.141 -9.960 1.00 0.00 O ATOM 0 H GLY A 28 -8.022 -2.905 -11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.245 -3.047 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.050 -4.769 -12.091 1.00 0.00 H new ATOM 407 N ARG A 29 -10.144 -3.452 -9.054 1.00 0.00 N ATOM 408 CA ARG A 29 -10.718 -3.619 -7.725 1.00 0.00 C ATOM 409 C ARG A 29 -12.224 -3.375 -7.748 1.00 0.00 C ATOM 410 O ARG A 29 -12.685 -2.312 -8.163 1.00 0.00 O ATOM 411 CB ARG A 29 -10.049 -2.664 -6.734 1.00 0.00 C ATOM 412 CG ARG A 29 -9.797 -3.283 -5.369 1.00 0.00 C ATOM 413 CD ARG A 29 -9.946 -2.258 -4.256 1.00 0.00 C ATOM 414 NE ARG A 29 -10.246 -2.884 -2.971 1.00 0.00 N ATOM 415 CZ ARG A 29 -10.082 -2.281 -1.796 1.00 0.00 C ATOM 416 NH1 ARG A 29 -9.621 -1.037 -1.739 1.00 0.00 N ATOM 417 NH2 ARG A 29 -10.379 -2.923 -0.674 1.00 0.00 N ATOM 0 H ARG A 29 -9.462 -2.697 -9.127 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.540 -4.646 -7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.100 -2.326 -7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.676 -1.781 -6.613 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.496 -4.103 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.794 -3.709 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.026 -1.679 -4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.741 -1.558 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.602 -3.840 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.391 -0.539 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.497 -0.580 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.733 -3.879 -0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.253 -2.461 0.227 1.00 0.00 H new ATOM 431 N ARG A 30 -12.986 -4.368 -7.298 1.00 0.00 N ATOM 432 CA ARG A 30 -14.440 -4.262 -7.267 1.00 0.00 C ATOM 433 C ARG A 30 -14.883 -3.092 -6.395 1.00 0.00 C ATOM 434 O ARG A 30 -14.981 -3.217 -5.174 1.00 0.00 O ATOM 435 CB ARG A 30 -15.055 -5.562 -6.747 1.00 0.00 C ATOM 436 CG ARG A 30 -16.443 -5.843 -7.299 1.00 0.00 C ATOM 437 CD ARG A 30 -17.306 -6.582 -6.289 1.00 0.00 C ATOM 438 NE ARG A 30 -18.147 -7.594 -6.925 1.00 0.00 N ATOM 439 CZ ARG A 30 -19.214 -8.141 -6.346 1.00 0.00 C ATOM 440 NH1 ARG A 30 -19.572 -7.779 -5.120 1.00 0.00 N ATOM 441 NH2 ARG A 30 -19.925 -9.053 -6.995 1.00 0.00 N ATOM 0 H ARG A 30 -12.620 -5.254 -6.950 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.788 -4.084 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.397 -6.393 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.108 -5.519 -5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.924 -4.904 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.360 -6.435 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.667 -7.057 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.936 -5.868 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.902 -7.899 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -19.029 -7.078 -4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.390 -8.202 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.654 -9.335 -7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.742 -9.472 -6.552 1.00 0.00 H new ATOM 455 N LYS A 31 -15.148 -1.954 -7.030 1.00 0.00 N ATOM 456 CA LYS A 31 -15.579 -0.761 -6.311 1.00 0.00 C ATOM 457 C LYS A 31 -16.899 -1.009 -5.587 1.00 0.00 C ATOM 458 O LYS A 31 -17.974 -0.874 -6.171 1.00 0.00 O ATOM 459 CB LYS A 31 -15.728 0.416 -7.277 1.00 0.00 C ATOM 460 CG LYS A 31 -14.466 0.719 -8.067 1.00 0.00 C ATOM 461 CD LYS A 31 -14.557 2.064 -8.768 1.00 0.00 C ATOM 462 CE LYS A 31 -13.729 2.085 -10.043 1.00 0.00 C ATOM 463 NZ LYS A 31 -14.395 2.863 -11.124 1.00 0.00 N ATOM 0 H LYS A 31 -15.072 -1.834 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.818 -0.520 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.540 0.203 -7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.015 1.304 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.606 0.714 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.300 -0.066 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.598 2.282 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.212 2.850 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.751 2.518 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.559 1.063 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.799 2.853 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.318 2.435 -11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.534 3.845 -10.810 1.00 0.00 H new ATOM 477 N ILE A 32 -16.809 -1.372 -4.312 1.00 0.00 N ATOM 478 CA ILE A 32 -17.982 -1.639 -3.507 1.00 0.00 C ATOM 479 C ILE A 32 -18.756 -0.358 -3.214 1.00 0.00 C ATOM 480 O ILE A 32 -18.169 0.666 -2.861 1.00 0.00 O ATOM 481 CB ILE A 32 -17.590 -2.307 -2.179 1.00 0.00 C ATOM 482 CG1 ILE A 32 -16.417 -1.569 -1.529 1.00 0.00 C ATOM 483 CG2 ILE A 32 -17.245 -3.771 -2.401 1.00 0.00 C ATOM 484 CD1 ILE A 32 -16.293 -1.823 -0.042 1.00 0.00 C ATOM 0 H ILE A 32 -15.925 -1.487 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.620 -2.313 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.443 -2.254 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.492 -1.871 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -16.533 -0.498 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.970 -4.228 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -18.109 -4.290 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -16.408 -3.846 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.441 -1.269 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.203 -1.495 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.145 -2.889 0.134 1.00 0.00 H new ATOM 496 N ILE A 33 -20.074 -0.420 -3.365 1.00 0.00 N ATOM 497 CA ILE A 33 -20.928 0.724 -3.123 1.00 0.00 C ATOM 498 C ILE A 33 -21.085 0.991 -1.630 1.00 0.00 C ATOM 499 O ILE A 33 -20.736 0.152 -0.799 1.00 0.00 O ATOM 500 CB ILE A 33 -22.318 0.510 -3.745 1.00 0.00 C ATOM 501 CG1 ILE A 33 -22.850 -0.887 -3.415 1.00 0.00 C ATOM 502 CG2 ILE A 33 -22.266 0.723 -5.250 1.00 0.00 C ATOM 503 CD1 ILE A 33 -24.359 -0.958 -3.344 1.00 0.00 C ATOM 0 H ILE A 33 -20.572 -1.261 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 33 -20.451 1.586 -3.589 1.00 0.00 H new ATOM 0 HB ILE A 33 -23.002 1.243 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -22.497 -1.589 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -22.434 -1.209 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -23.258 0.568 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -21.936 1.740 -5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -21.567 0.014 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -24.665 -1.977 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -24.719 -0.281 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -24.783 -0.667 -4.305 1.00 0.00 H new ATOM 515 N LEU A 34 -21.611 2.165 -1.296 1.00 0.00 N ATOM 516 CA LEU A 34 -21.815 2.544 0.091 1.00 0.00 C ATOM 517 C LEU A 34 -23.275 2.374 0.498 1.00 0.00 C ATOM 518 O LEU A 34 -23.587 2.210 1.678 1.00 0.00 O ATOM 519 CB LEU A 34 -21.368 3.992 0.334 1.00 0.00 C ATOM 520 CG LEU A 34 -21.234 4.865 -0.918 1.00 0.00 C ATOM 521 CD1 LEU A 34 -22.605 5.162 -1.511 1.00 0.00 C ATOM 522 CD2 LEU A 34 -20.500 6.157 -0.590 1.00 0.00 C ATOM 0 H LEU A 34 -21.904 2.870 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.205 1.882 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -22.081 4.465 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.406 3.975 0.847 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.652 4.318 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.490 5.783 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -23.094 4.227 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -23.213 5.689 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.414 6.765 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.056 6.709 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.504 5.924 -0.213 1.00 0.00 H new ATOM 534 N SER A 35 -24.166 2.415 -0.485 1.00 0.00 N ATOM 535 CA SER A 35 -25.594 2.266 -0.231 1.00 0.00 C ATOM 536 C SER A 35 -25.902 0.917 0.411 1.00 0.00 C ATOM 537 O SER A 35 -26.921 0.756 1.082 1.00 0.00 O ATOM 538 CB SER A 35 -26.382 2.423 -1.529 1.00 0.00 C ATOM 539 OG SER A 35 -27.252 3.539 -1.467 1.00 0.00 O ATOM 0 H SER A 35 -23.925 2.550 -1.467 1.00 0.00 H new ATOM 0 HA SER A 35 -25.895 3.049 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.692 2.542 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 35 -26.959 1.518 -1.719 1.00 0.00 H new ATOM 0 HG SER A 35 -27.743 3.618 -2.311 1.00 0.00 H new ATOM 545 N ASP A 36 -25.015 -0.048 0.200 1.00 0.00 N ATOM 546 CA ASP A 36 -25.186 -1.379 0.754 1.00 0.00 C ATOM 547 C ASP A 36 -23.968 -1.794 1.572 1.00 0.00 C ATOM 548 O ASP A 36 -24.073 -2.066 2.768 1.00 0.00 O ATOM 549 CB ASP A 36 -25.438 -2.394 -0.363 1.00 0.00 C ATOM 550 CG ASP A 36 -26.361 -3.515 0.072 1.00 0.00 C ATOM 551 OD1 ASP A 36 -27.591 -3.366 -0.085 1.00 0.00 O ATOM 552 OD2 ASP A 36 -25.853 -4.543 0.569 1.00 0.00 O ATOM 0 H ASP A 36 -24.167 0.071 -0.354 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.052 -1.357 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -25.871 -1.883 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -24.487 -2.816 -0.688 1.00 0.00 H new ATOM 557 N GLU A 37 -22.811 -1.843 0.918 1.00 0.00 N ATOM 558 CA GLU A 37 -21.573 -2.228 1.585 1.00 0.00 C ATOM 559 C GLU A 37 -21.204 -1.236 2.682 1.00 0.00 C ATOM 560 O GLU A 37 -20.515 -1.582 3.641 1.00 0.00 O ATOM 561 CB GLU A 37 -20.437 -2.340 0.570 1.00 0.00 C ATOM 562 CG GLU A 37 -19.852 -3.736 0.465 1.00 0.00 C ATOM 563 CD GLU A 37 -20.023 -4.343 -0.915 1.00 0.00 C ATOM 564 OE1 GLU A 37 -20.932 -3.902 -1.649 1.00 0.00 O ATOM 565 OE2 GLU A 37 -19.247 -5.259 -1.260 1.00 0.00 O ATOM 0 H GLU A 37 -22.706 -1.621 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 37 -21.731 -3.201 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.805 -2.035 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.645 -1.643 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.791 -3.700 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.329 -4.381 1.202 1.00 0.00 H new ATOM 572 N GLY A 38 -21.668 -0.001 2.534 1.00 0.00 N ATOM 573 CA GLY A 38 -21.379 1.024 3.520 1.00 0.00 C ATOM 574 C GLY A 38 -19.895 1.208 3.749 1.00 0.00 C ATOM 575 O GLY A 38 -19.456 1.479 4.867 1.00 0.00 O ATOM 0 H GLY A 38 -22.240 0.310 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -21.813 1.969 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.859 0.762 4.463 1.00 0.00 H new ATOM 579 N LYS A 39 -19.126 1.071 2.682 1.00 0.00 N ATOM 580 CA LYS A 39 -17.690 1.231 2.743 1.00 0.00 C ATOM 581 C LYS A 39 -17.176 1.850 1.452 1.00 0.00 C ATOM 582 O LYS A 39 -16.848 1.148 0.495 1.00 0.00 O ATOM 583 CB LYS A 39 -17.009 -0.117 2.992 1.00 0.00 C ATOM 584 CG LYS A 39 -15.828 -0.034 3.945 1.00 0.00 C ATOM 585 CD LYS A 39 -14.879 -1.206 3.758 1.00 0.00 C ATOM 586 CE LYS A 39 -13.840 -1.264 4.866 1.00 0.00 C ATOM 587 NZ LYS A 39 -12.660 -2.086 4.480 1.00 0.00 N ATOM 0 H LYS A 39 -19.482 0.846 1.753 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.451 1.897 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.742 -0.816 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.669 -0.525 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.291 0.900 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.189 -0.017 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.447 -2.136 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.379 -1.120 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.514 -0.253 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.293 -1.679 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.626 -2.943 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.738 -2.357 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.790 -1.534 4.622 1.00 0.00 H new ATOM 601 N MET A 40 -17.105 3.168 1.443 1.00 0.00 N ATOM 602 CA MET A 40 -16.628 3.907 0.290 1.00 0.00 C ATOM 603 C MET A 40 -15.934 5.190 0.727 1.00 0.00 C ATOM 604 O MET A 40 -16.551 6.253 0.800 1.00 0.00 O ATOM 605 CB MET A 40 -17.786 4.231 -0.656 1.00 0.00 C ATOM 606 CG MET A 40 -18.054 3.145 -1.685 1.00 0.00 C ATOM 607 SD MET A 40 -17.315 3.510 -3.288 1.00 0.00 S ATOM 608 CE MET A 40 -18.733 3.317 -4.365 1.00 0.00 C ATOM 0 H MET A 40 -17.376 3.755 2.232 1.00 0.00 H new ATOM 0 HA MET A 40 -15.908 3.284 -0.240 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.689 4.394 -0.068 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.570 5.165 -1.174 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.663 2.196 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 40 -19.130 3.021 -1.805 1.00 0.00 H new ATOM 0 HE1 MET A 40 -18.654 4.015 -5.199 1.00 0.00 H new ATOM 0 HE2 MET A 40 -18.763 2.297 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 40 -19.646 3.522 -3.805 1.00 0.00 H new ATOM 618 N TYR A 41 -14.645 5.079 1.017 1.00 0.00 N ATOM 619 CA TYR A 41 -13.853 6.217 1.448 1.00 0.00 C ATOM 620 C TYR A 41 -12.433 6.132 0.897 1.00 0.00 C ATOM 621 O TYR A 41 -12.110 5.231 0.123 1.00 0.00 O ATOM 622 CB TYR A 41 -13.824 6.298 2.972 1.00 0.00 C ATOM 623 CG TYR A 41 -14.394 7.586 3.522 1.00 0.00 C ATOM 624 CD1 TYR A 41 -15.767 7.786 3.592 1.00 0.00 C ATOM 625 CD2 TYR A 41 -13.559 8.601 3.972 1.00 0.00 C ATOM 626 CE1 TYR A 41 -16.292 8.961 4.095 1.00 0.00 C ATOM 627 CE2 TYR A 41 -14.076 9.779 4.476 1.00 0.00 C ATOM 628 CZ TYR A 41 -15.443 9.954 4.535 1.00 0.00 C ATOM 629 OH TYR A 41 -15.962 11.126 5.036 1.00 0.00 O ATOM 0 H TYR A 41 -14.124 4.204 0.960 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.318 7.122 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.385 5.458 3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.794 6.191 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.435 7.010 3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.488 8.467 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.362 9.101 4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.413 10.559 4.822 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.230 11.720 5.303 1.00 0.00 H new ATOM 639 N GLY A 42 -11.587 7.076 1.300 1.00 0.00 N ATOM 640 CA GLY A 42 -10.211 7.089 0.835 1.00 0.00 C ATOM 641 C GLY A 42 -9.510 5.762 1.055 1.00 0.00 C ATOM 642 O GLY A 42 -9.255 5.367 2.193 1.00 0.00 O ATOM 0 H GLY A 42 -11.830 7.832 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.192 7.334 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.663 7.876 1.354 1.00 0.00 H new ATOM 646 N ARG A 43 -9.201 5.072 -0.038 1.00 0.00 N ATOM 647 CA ARG A 43 -8.529 3.779 0.036 1.00 0.00 C ATOM 648 C ARG A 43 -7.195 3.890 0.768 1.00 0.00 C ATOM 649 O ARG A 43 -6.699 2.912 1.326 1.00 0.00 O ATOM 650 CB ARG A 43 -8.313 3.216 -1.366 1.00 0.00 C ATOM 651 CG ARG A 43 -9.083 1.932 -1.631 1.00 0.00 C ATOM 652 CD ARG A 43 -10.413 2.212 -2.311 1.00 0.00 C ATOM 653 NE ARG A 43 -11.261 1.023 -2.367 1.00 0.00 N ATOM 654 CZ ARG A 43 -11.972 0.571 -1.337 1.00 0.00 C ATOM 655 NH1 ARG A 43 -11.941 1.204 -0.171 1.00 0.00 N ATOM 656 NH2 ARG A 43 -12.717 -0.518 -1.473 1.00 0.00 N ATOM 0 H ARG A 43 -9.405 5.387 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.168 3.100 0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.610 3.966 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.249 3.029 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.485 1.270 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.257 1.410 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.935 3.004 -1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.233 2.577 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.311 0.510 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.370 2.042 -0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.488 0.853 0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.745 -1.009 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.262 -0.865 -0.684 1.00 0.00 H new ATOM 670 N ASN A 44 -6.621 5.086 0.760 1.00 0.00 N ATOM 671 CA ASN A 44 -5.344 5.325 1.423 1.00 0.00 C ATOM 672 C ASN A 44 -5.423 4.982 2.904 1.00 0.00 C ATOM 673 O ASN A 44 -4.432 4.584 3.516 1.00 0.00 O ATOM 674 CB ASN A 44 -4.912 6.779 1.239 1.00 0.00 C ATOM 675 CG ASN A 44 -3.610 6.904 0.473 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.168 5.961 -0.182 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.987 8.075 0.553 1.00 0.00 N ATOM 0 H ASN A 44 -7.019 5.906 0.302 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.599 4.675 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.695 7.323 0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.802 7.249 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.106 8.219 0.059 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.390 8.830 1.108 1.00 0.00 H new ATOM 684 N GLU A 45 -6.610 5.135 3.472 1.00 0.00 N ATOM 685 CA GLU A 45 -6.828 4.838 4.879 1.00 0.00 C ATOM 686 C GLU A 45 -6.872 3.333 5.115 1.00 0.00 C ATOM 687 O GLU A 45 -6.599 2.858 6.218 1.00 0.00 O ATOM 688 CB GLU A 45 -8.127 5.484 5.365 1.00 0.00 C ATOM 689 CG GLU A 45 -8.031 6.992 5.531 1.00 0.00 C ATOM 690 CD GLU A 45 -8.651 7.746 4.371 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.933 8.013 3.385 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.855 8.070 4.449 1.00 0.00 O ATOM 0 H GLU A 45 -7.439 5.464 2.978 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.994 5.252 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.924 5.255 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.410 5.039 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.527 7.284 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.983 7.277 5.627 1.00 0.00 H new ATOM 699 N LEU A 46 -7.220 2.589 4.072 1.00 0.00 N ATOM 700 CA LEU A 46 -7.303 1.140 4.159 1.00 0.00 C ATOM 701 C LEU A 46 -5.921 0.507 4.102 1.00 0.00 C ATOM 702 O LEU A 46 -5.673 -0.527 4.721 1.00 0.00 O ATOM 703 CB LEU A 46 -8.180 0.588 3.037 1.00 0.00 C ATOM 704 CG LEU A 46 -9.307 -0.340 3.490 1.00 0.00 C ATOM 705 CD1 LEU A 46 -10.137 -0.789 2.297 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.740 -1.543 4.228 1.00 0.00 C ATOM 0 H LEU A 46 -7.450 2.969 3.154 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.754 0.887 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.617 1.426 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.546 0.048 2.334 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.955 0.210 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.935 -1.449 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.571 0.083 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.501 -1.323 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.555 -2.194 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.072 -2.094 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.186 -1.205 5.104 1.00 0.00 H new ATOM 718 N ILE A 47 -5.024 1.138 3.362 1.00 0.00 N ATOM 719 CA ILE A 47 -3.664 0.637 3.233 1.00 0.00 C ATOM 720 C ILE A 47 -2.837 1.032 4.442 1.00 0.00 C ATOM 721 O ILE A 47 -1.950 0.296 4.871 1.00 0.00 O ATOM 722 CB ILE A 47 -2.954 1.122 1.941 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.727 2.259 1.265 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.769 -0.037 0.974 1.00 0.00 C ATOM 725 CD1 ILE A 47 -3.075 2.761 -0.006 1.00 0.00 C ATOM 0 H ILE A 47 -5.211 1.996 2.843 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.744 -0.448 3.170 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.976 1.509 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.736 1.915 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.825 3.088 1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.270 0.318 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.162 -0.810 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.743 -0.450 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.676 3.565 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.077 3.135 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.002 1.945 -0.724 1.00 0.00 H new ATOM 737 N ALA A 48 -3.146 2.192 4.997 1.00 0.00 N ATOM 738 CA ALA A 48 -2.445 2.677 6.169 1.00 0.00 C ATOM 739 C ALA A 48 -2.956 1.974 7.416 1.00 0.00 C ATOM 740 O ALA A 48 -2.224 1.803 8.391 1.00 0.00 O ATOM 741 CB ALA A 48 -2.592 4.185 6.298 1.00 0.00 C ATOM 0 H ALA A 48 -3.878 2.814 4.653 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.384 2.452 6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.058 4.528 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.176 4.668 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.648 4.441 6.388 1.00 0.00 H new ATOM 747 N ARG A 49 -4.212 1.548 7.368 1.00 0.00 N ATOM 748 CA ARG A 49 -4.813 0.841 8.484 1.00 0.00 C ATOM 749 C ARG A 49 -4.183 -0.536 8.622 1.00 0.00 C ATOM 750 O ARG A 49 -4.097 -1.088 9.719 1.00 0.00 O ATOM 751 CB ARG A 49 -6.326 0.716 8.294 1.00 0.00 C ATOM 752 CG ARG A 49 -7.037 0.085 9.481 1.00 0.00 C ATOM 753 CD ARG A 49 -7.836 -1.142 9.069 1.00 0.00 C ATOM 754 NE ARG A 49 -9.253 -0.837 8.889 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.214 -1.758 8.878 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.915 -3.042 9.037 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.478 -1.395 8.708 1.00 0.00 N ATOM 0 H ARG A 49 -4.831 1.681 6.568 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.631 1.409 9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.745 1.706 8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.524 0.120 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.304 -0.195 10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.703 0.817 9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.431 -1.543 8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.726 -1.918 9.827 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.522 0.139 8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.945 -3.327 9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.656 -3.743 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.714 -0.410 8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.215 -2.101 8.700 1.00 0.00 H new ATOM 771 N TYR A 50 -3.727 -1.076 7.498 1.00 0.00 N ATOM 772 CA TYR A 50 -3.086 -2.378 7.486 1.00 0.00 C ATOM 773 C TYR A 50 -1.745 -2.316 8.186 1.00 0.00 C ATOM 774 O TYR A 50 -1.489 -3.046 9.144 1.00 0.00 O ATOM 775 CB TYR A 50 -2.894 -2.865 6.062 1.00 0.00 C ATOM 776 CG TYR A 50 -2.621 -4.348 5.963 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.445 -4.886 6.469 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.534 -5.208 5.368 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.186 -6.239 6.386 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.283 -6.564 5.280 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.107 -7.075 5.791 1.00 0.00 C ATOM 782 OH TYR A 50 -1.852 -8.424 5.705 1.00 0.00 O ATOM 0 H TYR A 50 -3.791 -0.629 6.584 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.733 -3.077 8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.786 -2.629 5.482 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.066 -2.320 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.721 -4.235 6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.455 -4.811 4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.266 -6.641 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.003 -7.220 4.814 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.602 -8.871 5.259 1.00 0.00 H new ATOM 792 N ILE A 51 -0.895 -1.431 7.698 1.00 0.00 N ATOM 793 CA ILE A 51 0.432 -1.257 8.276 1.00 0.00 C ATOM 794 C ILE A 51 0.332 -0.768 9.716 1.00 0.00 C ATOM 795 O ILE A 51 1.255 -0.953 10.510 1.00 0.00 O ATOM 796 CB ILE A 51 1.335 -0.283 7.471 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.665 0.200 6.177 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.658 -0.957 7.152 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.511 -0.880 5.125 1.00 0.00 C ATOM 0 H ILE A 51 -1.096 -0.821 6.905 1.00 0.00 H new ATOM 0 HA ILE A 51 0.900 -2.241 8.240 1.00 0.00 H new ATOM 0 HB ILE A 51 1.506 0.596 8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.319 0.602 6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.251 1.019 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.289 -0.271 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.160 -1.231 8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.476 -1.854 6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.030 -0.461 4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.493 -1.267 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.101 -1.690 5.522 1.00 0.00 H new ATOM 811 N LYS A 52 -0.795 -0.147 10.050 1.00 0.00 N ATOM 812 CA LYS A 52 -1.015 0.361 11.394 1.00 0.00 C ATOM 813 C LYS A 52 -1.453 -0.757 12.332 1.00 0.00 C ATOM 814 O LYS A 52 -1.208 -0.704 13.538 1.00 0.00 O ATOM 815 CB LYS A 52 -2.065 1.474 11.379 1.00 0.00 C ATOM 816 CG LYS A 52 -1.475 2.864 11.203 1.00 0.00 C ATOM 817 CD LYS A 52 -1.306 3.570 12.538 1.00 0.00 C ATOM 818 CE LYS A 52 -2.646 3.991 13.120 1.00 0.00 C ATOM 819 NZ LYS A 52 -2.509 4.523 14.503 1.00 0.00 N ATOM 0 H LYS A 52 -1.569 0.015 9.406 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.073 0.769 11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.773 1.284 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.629 1.443 12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.509 2.790 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.123 3.456 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.796 2.909 13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.672 4.448 12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.096 4.751 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.324 3.137 13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.445 4.799 14.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.103 3.789 15.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.883 5.353 14.495 1.00 0.00 H new ATOM 833 N LEU A 53 -2.104 -1.767 11.769 1.00 0.00 N ATOM 834 CA LEU A 53 -2.582 -2.898 12.546 1.00 0.00 C ATOM 835 C LEU A 53 -1.532 -4.002 12.618 1.00 0.00 C ATOM 836 O LEU A 53 -1.509 -4.791 13.563 1.00 0.00 O ATOM 837 CB LEU A 53 -3.877 -3.447 11.943 1.00 0.00 C ATOM 838 CG LEU A 53 -4.823 -4.118 12.941 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.151 -4.446 12.277 1.00 0.00 C ATOM 840 CD2 LEU A 53 -4.187 -5.375 13.514 1.00 0.00 C ATOM 0 H LEU A 53 -2.313 -1.824 10.772 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.779 -2.548 13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.408 -2.629 11.456 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.621 -4.168 11.167 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.011 -3.424 13.760 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.812 -4.923 13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.613 -3.528 11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.982 -5.123 11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.873 -5.840 14.222 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.971 -6.074 12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.261 -5.113 14.025 1.00 0.00 H new ATOM 852 N ARG A 54 -0.670 -4.056 11.611 1.00 0.00 N ATOM 853 CA ARG A 54 0.378 -5.066 11.554 1.00 0.00 C ATOM 854 C ARG A 54 1.460 -4.797 12.589 1.00 0.00 C ATOM 855 O ARG A 54 1.727 -5.625 13.460 1.00 0.00 O ATOM 856 CB ARG A 54 0.995 -5.112 10.155 1.00 0.00 C ATOM 857 CG ARG A 54 1.377 -6.512 9.705 1.00 0.00 C ATOM 858 CD ARG A 54 2.852 -6.790 9.940 1.00 0.00 C ATOM 859 NE ARG A 54 3.245 -8.111 9.454 1.00 0.00 N ATOM 860 CZ ARG A 54 2.914 -9.251 10.055 1.00 0.00 C ATOM 861 NH1 ARG A 54 2.185 -9.237 11.164 1.00 0.00 N ATOM 862 NH2 ARG A 54 3.312 -10.409 9.546 1.00 0.00 N ATOM 0 H ARG A 54 -0.676 -3.411 10.821 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.076 -6.031 11.778 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.288 -4.690 9.441 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.882 -4.479 10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.777 -7.245 10.245 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.148 -6.630 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.449 -6.027 9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.069 -6.716 11.006 1.00 0.00 H new ATOM 0 HE ARG A 54 3.806 -8.162 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.876 -8.349 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.934 -10.114 11.621 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.872 -10.426 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.058 -11.283 10.007 1.00 0.00 H new ATOM 876 N THR A 55 2.077 -3.635 12.479 1.00 0.00 N ATOM 877 CA THR A 55 3.137 -3.237 13.392 1.00 0.00 C ATOM 878 C THR A 55 2.567 -2.673 14.690 1.00 0.00 C ATOM 879 O THR A 55 3.238 -2.662 15.721 1.00 0.00 O ATOM 880 CB THR A 55 4.049 -2.203 12.726 1.00 0.00 C ATOM 881 OG1 THR A 55 3.386 -1.570 11.647 1.00 0.00 O ATOM 882 CG2 THR A 55 5.334 -2.797 12.191 1.00 0.00 C ATOM 0 H THR A 55 1.861 -2.944 11.761 1.00 0.00 H new ATOM 0 HA THR A 55 3.720 -4.125 13.636 1.00 0.00 H new ATOM 0 HB THR A 55 4.297 -1.488 13.510 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.094 -0.676 11.922 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.934 -2.012 11.732 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.894 -3.250 13.009 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.101 -3.558 11.446 1.00 0.00 H new ATOM 890 N GLY A 56 1.326 -2.204 14.630 1.00 0.00 N ATOM 891 CA GLY A 56 0.686 -1.644 15.803 1.00 0.00 C ATOM 892 C GLY A 56 1.196 -0.255 16.149 1.00 0.00 C ATOM 893 O GLY A 56 0.778 0.332 17.147 1.00 0.00 O ATOM 0 H GLY A 56 0.751 -2.202 13.787 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.390 -1.599 15.637 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.850 -2.308 16.652 1.00 0.00 H new ATOM 897 N LYS A 57 2.098 0.273 15.326 1.00 0.00 N ATOM 898 CA LYS A 57 2.658 1.595 15.553 1.00 0.00 C ATOM 899 C LYS A 57 3.416 2.080 14.320 1.00 0.00 C ATOM 900 O LYS A 57 4.625 1.881 14.203 1.00 0.00 O ATOM 901 CB LYS A 57 3.583 1.573 16.763 1.00 0.00 C ATOM 902 CG LYS A 57 3.340 2.713 17.738 1.00 0.00 C ATOM 903 CD LYS A 57 4.637 3.193 18.370 1.00 0.00 C ATOM 904 CE LYS A 57 5.170 4.434 17.672 1.00 0.00 C ATOM 905 NZ LYS A 57 6.658 4.463 17.651 1.00 0.00 N ATOM 0 H LYS A 57 2.455 -0.198 14.495 1.00 0.00 H new ATOM 0 HA LYS A 57 1.838 2.287 15.746 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.459 0.625 17.287 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.617 1.614 16.420 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.859 3.542 17.218 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.653 2.385 18.519 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.470 3.411 19.425 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.382 2.399 18.322 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.792 4.466 16.650 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.797 5.324 18.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.982 5.325 17.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.019 4.458 18.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.014 3.627 17.145 1.00 0.00 H new ATOM 919 N THR A 58 2.695 2.718 13.404 1.00 0.00 N ATOM 920 CA THR A 58 3.292 3.232 12.183 1.00 0.00 C ATOM 921 C THR A 58 2.571 4.488 11.708 1.00 0.00 C ATOM 922 O THR A 58 1.507 4.838 12.218 1.00 0.00 O ATOM 923 CB THR A 58 3.273 2.172 11.085 1.00 0.00 C ATOM 924 OG1 THR A 58 2.928 0.902 11.612 1.00 0.00 O ATOM 925 CG2 THR A 58 4.599 2.029 10.369 1.00 0.00 C ATOM 0 H THR A 58 1.693 2.890 13.487 1.00 0.00 H new ATOM 0 HA THR A 58 4.328 3.491 12.403 1.00 0.00 H new ATOM 0 HB THR A 58 2.526 2.515 10.369 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.224 0.500 11.062 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.517 1.260 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.866 2.978 9.904 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.371 1.746 11.085 1.00 0.00 H new ATOM 933 N ARG A 59 3.152 5.152 10.715 1.00 0.00 N ATOM 934 CA ARG A 59 2.567 6.353 10.152 1.00 0.00 C ATOM 935 C ARG A 59 3.052 6.544 8.723 1.00 0.00 C ATOM 936 O ARG A 59 3.779 7.489 8.416 1.00 0.00 O ATOM 937 CB ARG A 59 2.925 7.574 11.002 1.00 0.00 C ATOM 938 CG ARG A 59 2.026 8.774 10.750 1.00 0.00 C ATOM 939 CD ARG A 59 1.853 9.613 12.006 1.00 0.00 C ATOM 940 NE ARG A 59 3.136 10.029 12.569 1.00 0.00 N ATOM 941 CZ ARG A 59 3.292 10.468 13.815 1.00 0.00 C ATOM 942 NH1 ARG A 59 2.249 10.551 14.632 1.00 0.00 N ATOM 943 NH2 ARG A 59 4.494 10.826 14.247 1.00 0.00 N ATOM 0 H ARG A 59 4.033 4.873 10.284 1.00 0.00 H new ATOM 0 HA ARG A 59 1.482 6.245 10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.868 7.302 12.056 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.959 7.856 10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.451 9.388 9.956 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.051 8.433 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.256 10.495 11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.299 9.041 12.750 1.00 0.00 H new ATOM 0 HE ARG A 59 3.961 9.980 11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.322 10.277 14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.374 10.888 15.586 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.299 10.765 13.624 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.613 11.163 15.202 1.00 0.00 H new ATOM 957 N THR A 60 2.638 5.633 7.855 1.00 0.00 N ATOM 958 CA THR A 60 3.013 5.677 6.455 1.00 0.00 C ATOM 959 C THR A 60 1.829 5.312 5.564 1.00 0.00 C ATOM 960 O THR A 60 1.621 4.142 5.242 1.00 0.00 O ATOM 961 CB THR A 60 4.186 4.732 6.187 1.00 0.00 C ATOM 962 OG1 THR A 60 4.521 3.999 7.352 1.00 0.00 O ATOM 963 CG2 THR A 60 5.435 5.448 5.720 1.00 0.00 C ATOM 0 H THR A 60 2.036 4.848 8.102 1.00 0.00 H new ATOM 0 HA THR A 60 3.320 6.696 6.218 1.00 0.00 H new ATOM 0 HB THR A 60 3.845 4.070 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.272 3.400 7.157 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.228 4.721 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.224 5.981 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.753 6.159 6.482 1.00 0.00 H new ATOM 971 N ARG A 61 1.056 6.318 5.169 1.00 0.00 N ATOM 972 CA ARG A 61 -0.102 6.101 4.320 1.00 0.00 C ATOM 973 C ARG A 61 0.146 6.628 2.916 1.00 0.00 C ATOM 974 O ARG A 61 -0.256 6.016 1.927 1.00 0.00 O ATOM 975 CB ARG A 61 -1.340 6.769 4.922 1.00 0.00 C ATOM 976 CG ARG A 61 -1.238 8.284 4.996 1.00 0.00 C ATOM 977 CD ARG A 61 -2.517 8.902 5.538 1.00 0.00 C ATOM 978 NE ARG A 61 -2.569 10.344 5.308 1.00 0.00 N ATOM 979 CZ ARG A 61 -1.837 11.229 5.981 1.00 0.00 C ATOM 980 NH1 ARG A 61 -0.995 10.825 6.924 1.00 0.00 N ATOM 981 NH2 ARG A 61 -1.946 12.522 5.709 1.00 0.00 N ATOM 0 H ARG A 61 1.214 7.292 5.426 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.276 5.027 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.213 6.500 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.504 6.375 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.399 8.563 5.634 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.031 8.685 4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.377 8.428 5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.591 8.703 6.607 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.203 10.693 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.906 9.831 7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.437 11.508 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.591 12.838 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.385 13.201 6.224 1.00 0.00 H new ATOM 995 N LYS A 62 0.816 7.765 2.843 1.00 0.00 N ATOM 996 CA LYS A 62 1.132 8.386 1.566 1.00 0.00 C ATOM 997 C LYS A 62 2.175 7.572 0.813 1.00 0.00 C ATOM 998 O LYS A 62 2.193 7.550 -0.417 1.00 0.00 O ATOM 999 CB LYS A 62 1.627 9.815 1.779 1.00 0.00 C ATOM 1000 CG LYS A 62 0.803 10.860 1.046 1.00 0.00 C ATOM 1001 CD LYS A 62 1.422 11.217 -0.296 1.00 0.00 C ATOM 1002 CE LYS A 62 0.359 11.419 -1.364 1.00 0.00 C ATOM 1003 NZ LYS A 62 0.800 10.903 -2.690 1.00 0.00 N ATOM 0 H LYS A 62 1.154 8.280 3.656 1.00 0.00 H new ATOM 0 HA LYS A 62 0.223 8.416 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.617 10.039 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.663 9.885 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.209 10.485 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.721 11.757 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.014 12.126 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.104 10.425 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.558 10.912 -1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.124 12.480 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.048 11.059 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.661 11.404 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.999 9.885 -2.617 1.00 0.00 H new ATOM 1017 N GLN A 63 3.035 6.902 1.564 1.00 0.00 N ATOM 1018 CA GLN A 63 4.079 6.078 0.978 1.00 0.00 C ATOM 1019 C GLN A 63 3.496 4.791 0.407 1.00 0.00 C ATOM 1020 O GLN A 63 4.045 4.206 -0.526 1.00 0.00 O ATOM 1021 CB GLN A 63 5.152 5.758 2.017 1.00 0.00 C ATOM 1022 CG GLN A 63 6.527 6.298 1.658 1.00 0.00 C ATOM 1023 CD GLN A 63 7.408 5.255 1.000 1.00 0.00 C ATOM 1024 OE1 GLN A 63 6.918 4.322 0.364 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.719 5.408 1.149 1.00 0.00 N ATOM 0 H GLN A 63 3.030 6.913 2.584 1.00 0.00 H new ATOM 0 HA GLN A 63 4.537 6.638 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.849 6.171 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.216 4.677 2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.415 7.150 0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.016 6.665 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.083 6.196 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.362 4.737 0.728 1.00 0.00 H new ATOM 1034 N VAL A 64 2.377 4.358 0.976 1.00 0.00 N ATOM 1035 CA VAL A 64 1.714 3.144 0.529 1.00 0.00 C ATOM 1036 C VAL A 64 0.909 3.385 -0.741 1.00 0.00 C ATOM 1037 O VAL A 64 0.589 2.447 -1.469 1.00 0.00 O ATOM 1038 CB VAL A 64 0.780 2.573 1.613 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.273 1.197 1.208 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.490 2.513 2.956 1.00 0.00 C ATOM 0 H VAL A 64 1.911 4.832 1.749 1.00 0.00 H new ATOM 0 HA VAL A 64 2.503 2.420 0.323 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.078 3.238 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.385 0.809 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.278 1.274 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.119 0.522 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.813 2.107 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.368 1.873 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.798 3.516 3.250 1.00 0.00 H new ATOM 1050 N SER A 65 0.592 4.647 -1.012 1.00 0.00 N ATOM 1051 CA SER A 65 -0.164 4.998 -2.202 1.00 0.00 C ATOM 1052 C SER A 65 0.777 5.153 -3.383 1.00 0.00 C ATOM 1053 O SER A 65 0.425 4.859 -4.525 1.00 0.00 O ATOM 1054 CB SER A 65 -0.954 6.289 -1.979 1.00 0.00 C ATOM 1055 OG SER A 65 -2.227 6.221 -2.598 1.00 0.00 O ATOM 0 H SER A 65 0.848 5.440 -0.423 1.00 0.00 H new ATOM 0 HA SER A 65 -0.873 4.198 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.075 6.465 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.396 7.135 -2.380 1.00 0.00 H new ATOM 0 HG SER A 65 -2.893 5.919 -1.945 1.00 0.00 H new ATOM 1061 N SER A 66 1.984 5.603 -3.083 1.00 0.00 N ATOM 1062 CA SER A 66 3.009 5.791 -4.090 1.00 0.00 C ATOM 1063 C SER A 66 3.516 4.446 -4.585 1.00 0.00 C ATOM 1064 O SER A 66 3.871 4.289 -5.753 1.00 0.00 O ATOM 1065 CB SER A 66 4.157 6.602 -3.509 1.00 0.00 C ATOM 1066 OG SER A 66 4.579 7.614 -4.407 1.00 0.00 O ATOM 0 H SER A 66 2.278 5.847 -2.137 1.00 0.00 H new ATOM 0 HA SER A 66 2.581 6.332 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.845 7.055 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.994 5.941 -3.283 1.00 0.00 H new ATOM 0 HG SER A 66 5.316 8.120 -4.006 1.00 0.00 H new ATOM 1072 N HIS A 67 3.545 3.482 -3.677 1.00 0.00 N ATOM 1073 CA HIS A 67 4.007 2.139 -3.998 1.00 0.00 C ATOM 1074 C HIS A 67 3.048 1.445 -4.954 1.00 0.00 C ATOM 1075 O HIS A 67 3.465 0.672 -5.817 1.00 0.00 O ATOM 1076 CB HIS A 67 4.168 1.311 -2.723 1.00 0.00 C ATOM 1077 CG HIS A 67 4.841 -0.008 -2.946 1.00 0.00 C ATOM 1078 ND1 HIS A 67 4.525 -1.250 -2.507 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 5.984 -0.151 -3.703 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 5.474 -2.110 -3.002 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 6.343 -1.423 -3.721 1.00 0.00 N flip ATOM 0 H HIS A 67 3.253 3.605 -2.708 1.00 0.00 H new ATOM 0 HA HIS A 67 4.976 2.226 -4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.744 1.885 -1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.185 1.138 -2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.505 0.652 -4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.505 -3.176 -2.831 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.153 -1.808 -4.207 1.00 0.00 H new ATOM 1090 N ILE A 68 1.765 1.728 -4.798 1.00 0.00 N ATOM 1091 CA ILE A 68 0.746 1.134 -5.651 1.00 0.00 C ATOM 1092 C ILE A 68 0.812 1.712 -7.057 1.00 0.00 C ATOM 1093 O ILE A 68 0.437 1.056 -8.029 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.671 1.339 -5.078 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.720 0.913 -3.610 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.694 0.559 -5.892 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.763 1.651 -2.801 1.00 0.00 C ATOM 0 H ILE A 68 1.403 2.365 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 68 0.950 0.064 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.917 2.399 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.921 -0.157 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.259 1.076 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.688 0.716 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.677 0.905 -6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.450 -0.503 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.741 1.298 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.551 2.720 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.750 1.468 -3.226 1.00 0.00 H new ATOM 1109 N GLN A 69 1.301 2.941 -7.157 1.00 0.00 N ATOM 1110 CA GLN A 69 1.430 3.607 -8.442 1.00 0.00 C ATOM 1111 C GLN A 69 2.576 3.005 -9.244 1.00 0.00 C ATOM 1112 O GLN A 69 2.569 3.028 -10.474 1.00 0.00 O ATOM 1113 CB GLN A 69 1.655 5.108 -8.248 1.00 0.00 C ATOM 1114 CG GLN A 69 0.515 5.805 -7.524 1.00 0.00 C ATOM 1115 CD GLN A 69 0.227 7.185 -8.082 1.00 0.00 C ATOM 1116 OE1 GLN A 69 0.591 7.497 -9.216 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -0.431 8.020 -7.286 1.00 0.00 N ATOM 0 H GLN A 69 1.615 3.496 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 69 0.503 3.461 -8.996 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.577 5.259 -7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.795 5.575 -9.223 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.384 5.193 -7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.759 5.889 -6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.714 7.719 -6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.654 8.962 -7.607 1.00 0.00 H new ATOM 1126 N VAL A 70 3.557 2.460 -8.534 1.00 0.00 N ATOM 1127 CA VAL A 70 4.709 1.843 -9.173 1.00 0.00 C ATOM 1128 C VAL A 70 4.320 0.540 -9.855 1.00 0.00 C ATOM 1129 O VAL A 70 4.932 0.136 -10.844 1.00 0.00 O ATOM 1130 CB VAL A 70 5.840 1.566 -8.173 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.163 1.381 -8.901 1.00 0.00 C ATOM 1132 CG2 VAL A 70 5.942 2.680 -7.141 1.00 0.00 C ATOM 0 H VAL A 70 3.576 2.434 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 70 5.069 2.553 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 70 5.606 0.642 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.953 1.186 -8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.085 0.539 -9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.400 2.286 -9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.751 2.458 -6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.145 3.625 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.003 2.756 -6.593 1.00 0.00 H new ATOM 1142 N LEU A 71 3.295 -0.112 -9.320 1.00 0.00 N ATOM 1143 CA LEU A 71 2.817 -1.369 -9.876 1.00 0.00 C ATOM 1144 C LEU A 71 2.156 -1.145 -11.228 1.00 0.00 C ATOM 1145 O LEU A 71 2.213 -2.000 -12.112 1.00 0.00 O ATOM 1146 CB LEU A 71 1.841 -2.042 -8.913 1.00 0.00 C ATOM 1147 CG LEU A 71 2.288 -3.407 -8.387 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.167 -3.244 -7.157 1.00 0.00 C ATOM 1149 CD2 LEU A 71 1.080 -4.276 -8.070 1.00 0.00 C ATOM 0 H LEU A 71 2.779 0.210 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 71 3.675 -2.026 -10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.676 -1.379 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.881 -2.160 -9.416 1.00 0.00 H new ATOM 0 HG LEU A 71 2.873 -3.901 -9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.475 -4.226 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.050 -2.659 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.607 -2.730 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.416 -5.244 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.469 -3.787 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.489 -4.421 -8.974 1.00 0.00 H new ATOM 1161 N ALA A 72 1.533 0.014 -11.381 1.00 0.00 N ATOM 1162 CA ALA A 72 0.864 0.363 -12.625 1.00 0.00 C ATOM 1163 C ALA A 72 1.877 0.607 -13.734 1.00 0.00 C ATOM 1164 O ALA A 72 1.587 0.404 -14.914 1.00 0.00 O ATOM 1165 CB ALA A 72 -0.019 1.585 -12.430 1.00 0.00 C ATOM 0 H ALA A 72 1.477 0.730 -10.657 1.00 0.00 H new ATOM 0 HA ALA A 72 0.233 -0.476 -12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.512 1.832 -13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.772 1.373 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.592 2.428 -12.109 1.00 0.00 H new ATOM 1171 N ARG A 73 3.069 1.038 -13.345 1.00 0.00 N ATOM 1172 CA ARG A 73 4.135 1.305 -14.298 1.00 0.00 C ATOM 1173 C ARG A 73 4.670 0.006 -14.885 1.00 0.00 C ATOM 1174 O ARG A 73 5.170 -0.021 -16.010 1.00 0.00 O ATOM 1175 CB ARG A 73 5.268 2.085 -13.627 1.00 0.00 C ATOM 1176 CG ARG A 73 5.097 3.593 -13.705 1.00 0.00 C ATOM 1177 CD ARG A 73 6.248 4.319 -13.027 1.00 0.00 C ATOM 1178 NE ARG A 73 7.307 4.669 -13.970 1.00 0.00 N ATOM 1179 CZ ARG A 73 8.544 4.998 -13.608 1.00 0.00 C ATOM 1180 NH1 ARG A 73 8.883 5.023 -12.324 1.00 0.00 N ATOM 1181 NH2 ARG A 73 9.446 5.303 -14.530 1.00 0.00 N ATOM 0 H ARG A 73 3.322 1.210 -12.372 1.00 0.00 H new ATOM 0 HA ARG A 73 3.725 1.908 -15.108 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.332 1.789 -12.580 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.214 1.810 -14.094 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.036 3.900 -14.749 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.157 3.879 -13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.874 5.225 -12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.659 3.689 -12.238 1.00 0.00 H new ATOM 0 HE ARG A 73 7.085 4.661 -14.965 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.193 4.789 -11.610 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.833 5.276 -12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.192 5.286 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.394 5.555 -14.252 1.00 0.00 H new ATOM 1195 N ARG A 74 4.559 -1.069 -14.115 1.00 0.00 N ATOM 1196 CA ARG A 74 5.027 -2.375 -14.553 1.00 0.00 C ATOM 1197 C ARG A 74 4.142 -2.921 -15.665 1.00 0.00 C ATOM 1198 O ARG A 74 4.606 -3.647 -16.545 1.00 0.00 O ATOM 1199 CB ARG A 74 5.056 -3.354 -13.378 1.00 0.00 C ATOM 1200 CG ARG A 74 6.222 -4.328 -13.427 1.00 0.00 C ATOM 1201 CD ARG A 74 5.838 -5.685 -12.859 1.00 0.00 C ATOM 1202 NE ARG A 74 6.933 -6.292 -12.105 1.00 0.00 N ATOM 1203 CZ ARG A 74 7.256 -5.949 -10.861 1.00 0.00 C ATOM 1204 NH1 ARG A 74 6.572 -5.004 -10.226 1.00 0.00 N ATOM 1205 NH2 ARG A 74 8.267 -6.551 -10.248 1.00 0.00 N ATOM 0 H ARG A 74 4.148 -1.060 -13.182 1.00 0.00 H new ATOM 0 HA ARG A 74 6.039 -2.259 -14.941 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.104 -2.790 -12.447 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.123 -3.917 -13.362 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.557 -4.445 -14.458 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.062 -3.921 -12.864 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.969 -5.574 -12.210 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.546 -6.349 -13.672 1.00 0.00 H new ATOM 0 HE ARG A 74 7.482 -7.022 -12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.794 -4.537 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.824 -4.745 -9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.797 -7.277 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.515 -6.288 -9.294 1.00 0.00 H new ATOM 1219 N LYS A 75 2.867 -2.564 -15.617 1.00 0.00 N ATOM 1220 CA LYS A 75 1.909 -3.012 -16.616 1.00 0.00 C ATOM 1221 C LYS A 75 2.024 -2.184 -17.890 1.00 0.00 C ATOM 1222 O LYS A 75 1.756 -2.670 -18.989 1.00 0.00 O ATOM 1223 CB LYS A 75 0.484 -2.930 -16.064 1.00 0.00 C ATOM 1224 CG LYS A 75 -0.405 -4.082 -16.502 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.983 -3.844 -17.888 1.00 0.00 C ATOM 1226 CE LYS A 75 -2.401 -3.302 -17.813 1.00 0.00 C ATOM 1227 NZ LYS A 75 -3.398 -4.384 -17.581 1.00 0.00 N ATOM 0 H LYS A 75 2.471 -1.963 -14.894 1.00 0.00 H new ATOM 0 HA LYS A 75 2.135 -4.050 -16.858 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.526 -2.908 -14.975 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.032 -1.991 -16.385 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.170 -5.008 -16.501 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.216 -4.210 -15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.352 -3.141 -18.431 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.978 -4.777 -18.451 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.467 -2.569 -17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.640 -2.781 -18.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.352 -3.973 -17.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.353 -5.071 -18.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.186 -4.865 -16.684 1.00 0.00 H new ATOM 1241 N SER A 76 2.422 -0.930 -17.730 1.00 0.00 N ATOM 1242 CA SER A 76 2.575 -0.022 -18.855 1.00 0.00 C ATOM 1243 C SER A 76 3.966 -0.135 -19.479 1.00 0.00 C ATOM 1244 O SER A 76 4.221 0.421 -20.548 1.00 0.00 O ATOM 1245 CB SER A 76 2.319 1.419 -18.412 1.00 0.00 C ATOM 1246 OG SER A 76 2.290 2.298 -19.524 1.00 0.00 O ATOM 0 H SER A 76 2.646 -0.517 -16.825 1.00 0.00 H new ATOM 0 HA SER A 76 1.841 -0.303 -19.610 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.372 1.475 -17.876 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.098 1.733 -17.717 1.00 0.00 H new ATOM 0 HG SER A 76 2.895 1.966 -20.220 1.00 0.00 H new ATOM 1252 N ARG A 77 4.865 -0.853 -18.808 1.00 0.00 N ATOM 1253 CA ARG A 77 6.226 -1.030 -19.303 1.00 0.00 C ATOM 1254 C ARG A 77 6.232 -1.607 -20.715 1.00 0.00 C ATOM 1255 O ARG A 77 7.202 -1.449 -21.456 1.00 0.00 O ATOM 1256 CB ARG A 77 7.018 -1.942 -18.364 1.00 0.00 C ATOM 1257 CG ARG A 77 7.713 -1.198 -17.236 1.00 0.00 C ATOM 1258 CD ARG A 77 9.169 -0.916 -17.569 1.00 0.00 C ATOM 1259 NE ARG A 77 10.034 -1.042 -16.398 1.00 0.00 N ATOM 1260 CZ ARG A 77 11.363 -1.015 -16.451 1.00 0.00 C ATOM 1261 NH1 ARG A 77 11.985 -0.867 -17.614 1.00 0.00 N ATOM 1262 NH2 ARG A 77 12.074 -1.137 -15.338 1.00 0.00 N ATOM 0 H ARG A 77 4.674 -1.320 -17.922 1.00 0.00 H new ATOM 0 HA ARG A 77 6.699 -0.049 -19.334 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.343 -2.684 -17.937 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.764 -2.486 -18.943 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.194 -0.259 -17.044 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.655 -1.787 -16.321 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.504 -1.607 -18.343 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.259 0.090 -17.979 1.00 0.00 H new ATOM 0 HE ARG A 77 9.593 -1.158 -15.486 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.444 -0.773 -18.473 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.004 -0.847 -17.648 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.602 -1.252 -14.441 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.093 -1.116 -15.379 1.00 0.00 H new ATOM 1276 N ASP A 78 5.145 -2.275 -21.082 1.00 0.00 N ATOM 1277 CA ASP A 78 5.027 -2.873 -22.406 1.00 0.00 C ATOM 1278 C ASP A 78 5.048 -1.806 -23.495 1.00 0.00 C ATOM 1279 O ASP A 78 5.438 -2.070 -24.632 1.00 0.00 O ATOM 1280 CB ASP A 78 3.745 -3.699 -22.503 1.00 0.00 C ATOM 1281 CG ASP A 78 4.020 -5.169 -22.752 1.00 0.00 C ATOM 1282 OD1 ASP A 78 4.240 -5.907 -21.769 1.00 0.00 O ATOM 1283 OD2 ASP A 78 4.017 -5.582 -23.931 1.00 0.00 O ATOM 0 H ASP A 78 4.333 -2.416 -20.481 1.00 0.00 H new ATOM 0 HA ASP A 78 5.884 -3.529 -22.557 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.176 -3.590 -21.580 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.124 -3.307 -23.309 1.00 0.00 H new