USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 CYS SG : rot 180:sc= -1.28 USER MOD Set 2.2: A 33 CYS SG : rot -98:sc= -3.87! USER MOD Set 2.3: A 41 GLN : amide:sc= -3.54! C(o=-13!,f=-15!) USER MOD Set 2.4: A 64 HIS : no HD1:sc= -4.5! C(o=-13!,f=-14!) USER MOD Set 2.5: A 67 CYS SG : rot 123:sc= 0.579 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -15:sc= -0.274 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.517 K(o=0.52,f=-3.7!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 4:sc= -0.596 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0.0457 (180deg=0.0328) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 0.171 (180deg=0.0938) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -4.09! C(o=-4.1!,f=-4.7!) USER MOD Single : A 58 MET CE :methyl 171:sc= -6.47! (180deg=-6.97!) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.08) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.5!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -134:sc= 0.162 (180deg=-0.449) USER MOD Single : A 101 LYS NZ :NH3+ -149:sc= 0.131 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -151:sc= -0.148 (180deg=-1.28!) USER MOD Single : A 103 GLN : amide:sc= -3.66! C(o=-3.7!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 16.945 14.192 -3.423 1.00 0.00 N ATOM 132 CA LYS A 13 16.314 13.927 -4.711 1.00 0.00 C ATOM 133 C LYS A 13 15.280 12.811 -4.591 1.00 0.00 C ATOM 134 O LYS A 13 14.687 12.390 -5.585 1.00 0.00 O ATOM 135 CB LYS A 13 17.371 13.548 -5.751 1.00 0.00 C ATOM 136 CG LYS A 13 18.087 12.244 -5.443 1.00 0.00 C ATOM 137 CD LYS A 13 19.333 12.477 -4.606 1.00 0.00 C ATOM 138 CE LYS A 13 19.712 11.235 -3.813 1.00 0.00 C ATOM 139 NZ LYS A 13 20.171 10.130 -4.699 1.00 0.00 N ATOM 0 HA LYS A 13 15.806 14.836 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.895 13.469 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 13 18.107 14.350 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.411 11.573 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.361 11.749 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 13 20.161 12.762 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 13 19.163 13.309 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 13 20.502 11.484 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.854 10.900 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.420 9.302 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.409 9.875 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 21.005 10.440 -5.237 1.00 0.00 H new ATOM 153 N THR A 14 15.068 12.336 -3.367 1.00 0.00 N ATOM 154 CA THR A 14 14.105 11.270 -3.118 1.00 0.00 C ATOM 155 C THR A 14 12.802 11.826 -2.556 1.00 0.00 C ATOM 156 O THR A 14 12.791 12.871 -1.904 1.00 0.00 O ATOM 157 CB THR A 14 14.668 10.224 -2.138 1.00 0.00 C ATOM 158 OG1 THR A 14 15.989 9.839 -2.537 1.00 0.00 O ATOM 159 CG2 THR A 14 13.772 8.996 -2.084 1.00 0.00 C ATOM 0 H THR A 14 15.550 12.673 -2.533 1.00 0.00 H new ATOM 0 HA THR A 14 13.908 10.791 -4.077 1.00 0.00 H new ATOM 0 HB THR A 14 14.705 10.672 -1.145 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.340 9.175 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.190 8.271 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.775 9.287 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.708 8.549 -3.076 1.00 0.00 H new ATOM 167 N LEU A 15 11.705 11.122 -2.812 1.00 0.00 N ATOM 168 CA LEU A 15 10.395 11.545 -2.331 1.00 0.00 C ATOM 169 C LEU A 15 9.976 10.736 -1.107 1.00 0.00 C ATOM 170 O LEU A 15 10.030 9.507 -1.115 1.00 0.00 O ATOM 171 CB LEU A 15 9.350 11.395 -3.438 1.00 0.00 C ATOM 172 CG LEU A 15 9.630 12.157 -4.733 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.871 11.533 -5.894 1.00 0.00 C ATOM 174 CD2 LEU A 15 9.260 13.625 -4.579 1.00 0.00 C ATOM 0 H LEU A 15 11.697 10.256 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 15 10.463 12.594 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.253 10.336 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.387 11.724 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 15 10.697 12.093 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.082 12.089 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.185 10.497 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.801 11.566 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.466 14.152 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.200 13.710 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.849 14.066 -3.775 1.00 0.00 H new ATOM 186 N GLY A 16 9.557 11.435 -0.057 1.00 0.00 N ATOM 187 CA GLY A 16 9.133 10.764 1.159 1.00 0.00 C ATOM 188 C GLY A 16 7.756 10.145 1.029 1.00 0.00 C ATOM 189 O GLY A 16 7.560 8.976 1.364 1.00 0.00 O ATOM 0 H GLY A 16 9.503 12.453 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.855 9.987 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.131 11.478 1.983 1.00 0.00 H new ATOM 193 N ASP A 17 6.800 10.928 0.544 1.00 0.00 N ATOM 194 CA ASP A 17 5.433 10.450 0.372 1.00 0.00 C ATOM 195 C ASP A 17 5.419 9.062 -0.262 1.00 0.00 C ATOM 196 O ASP A 17 4.675 8.180 0.167 1.00 0.00 O ATOM 197 CB ASP A 17 4.633 11.427 -0.492 1.00 0.00 C ATOM 198 CG ASP A 17 5.476 12.059 -1.582 1.00 0.00 C ATOM 199 OD1 ASP A 17 6.493 11.450 -1.975 1.00 0.00 O ATOM 200 OD2 ASP A 17 5.117 13.163 -2.043 1.00 0.00 O ATOM 0 H ASP A 17 6.946 11.897 0.263 1.00 0.00 H new ATOM 0 HA ASP A 17 4.970 10.385 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.792 10.902 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.216 12.210 0.141 1.00 0.00 H new ATOM 205 N PHE A 18 6.245 8.877 -1.286 1.00 0.00 N ATOM 206 CA PHE A 18 6.327 7.597 -1.981 1.00 0.00 C ATOM 207 C PHE A 18 7.598 6.848 -1.593 1.00 0.00 C ATOM 208 O PHE A 18 8.686 7.422 -1.567 1.00 0.00 O ATOM 209 CB PHE A 18 6.289 7.811 -3.495 1.00 0.00 C ATOM 210 CG PHE A 18 5.146 8.674 -3.950 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.875 8.143 -4.097 1.00 0.00 C ATOM 212 CD2 PHE A 18 5.344 10.017 -4.231 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.822 8.935 -4.515 1.00 0.00 C ATOM 214 CE2 PHE A 18 4.295 10.813 -4.649 1.00 0.00 C ATOM 215 CZ PHE A 18 3.033 10.271 -4.792 1.00 0.00 C ATOM 0 H PHE A 18 6.867 9.597 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 18 5.468 6.996 -1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.227 8.266 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.221 6.842 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.705 7.098 -3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.329 10.446 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.836 8.509 -4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.462 11.858 -4.864 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.212 10.891 -5.120 1.00 0.00 H new ATOM 225 N ALA A 19 7.452 5.561 -1.293 1.00 0.00 N ATOM 226 CA ALA A 19 8.587 4.732 -0.909 1.00 0.00 C ATOM 227 C ALA A 19 8.381 3.284 -1.340 1.00 0.00 C ATOM 228 O ALA A 19 7.325 2.700 -1.101 1.00 0.00 O ATOM 229 CB ALA A 19 8.813 4.810 0.594 1.00 0.00 C ATOM 0 H ALA A 19 6.558 5.070 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 19 9.472 5.113 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.664 4.186 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.014 5.843 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.923 4.457 1.115 1.00 0.00 H new ATOM 235 N ALA A 20 9.397 2.711 -1.978 1.00 0.00 N ATOM 236 CA ALA A 20 9.327 1.331 -2.441 1.00 0.00 C ATOM 237 C ALA A 20 10.334 0.454 -1.707 1.00 0.00 C ATOM 238 O ALA A 20 11.502 0.816 -1.569 1.00 0.00 O ATOM 239 CB ALA A 20 9.563 1.266 -3.943 1.00 0.00 C ATOM 0 H ALA A 20 10.278 3.182 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 20 8.329 0.951 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.508 0.229 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.801 1.853 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.549 1.669 -4.174 1.00 0.00 H new ATOM 245 N GLU A 21 9.874 -0.701 -1.236 1.00 0.00 N ATOM 246 CA GLU A 21 10.736 -1.629 -0.514 1.00 0.00 C ATOM 247 C GLU A 21 10.003 -2.935 -0.217 1.00 0.00 C ATOM 248 O GLU A 21 8.773 -2.987 -0.237 1.00 0.00 O ATOM 249 CB GLU A 21 11.223 -0.997 0.792 1.00 0.00 C ATOM 250 CG GLU A 21 10.129 -0.833 1.833 1.00 0.00 C ATOM 251 CD GLU A 21 10.648 -0.264 3.139 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.338 0.777 3.102 1.00 0.00 O ATOM 253 OE2 GLU A 21 10.364 -0.859 4.200 1.00 0.00 O ATOM 0 H GLU A 21 8.910 -1.016 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 21 11.596 -1.851 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.020 -1.613 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.655 -0.020 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.352 -0.178 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.664 -1.801 2.022 1.00 0.00 H new ATOM 260 N TYR A 22 10.767 -3.986 0.057 1.00 0.00 N ATOM 261 CA TYR A 22 10.192 -5.292 0.354 1.00 0.00 C ATOM 262 C TYR A 22 9.350 -5.240 1.626 1.00 0.00 C ATOM 263 O TYR A 22 9.801 -4.751 2.662 1.00 0.00 O ATOM 264 CB TYR A 22 11.298 -6.338 0.504 1.00 0.00 C ATOM 265 CG TYR A 22 12.304 -6.322 -0.625 1.00 0.00 C ATOM 266 CD1 TYR A 22 12.029 -6.946 -1.835 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.528 -5.681 -0.481 1.00 0.00 C ATOM 268 CE1 TYR A 22 12.946 -6.935 -2.869 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.450 -5.663 -1.510 1.00 0.00 C ATOM 270 CZ TYR A 22 14.154 -6.291 -2.702 1.00 0.00 C ATOM 271 OH TYR A 22 15.069 -6.276 -3.729 1.00 0.00 O ATOM 0 H TYR A 22 11.786 -3.959 0.080 1.00 0.00 H new ATOM 0 HA TYR A 22 9.546 -5.573 -0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.819 -6.171 1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.845 -7.328 0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.083 -7.448 -1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.763 -5.188 0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.718 -7.428 -3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.397 -5.160 -1.382 1.00 0.00 H new ATOM 0 HH TYR A 22 14.823 -6.950 -4.396 1.00 0.00 H new ATOM 281 N ALA A 23 8.125 -5.748 1.538 1.00 0.00 N ATOM 282 CA ALA A 23 7.221 -5.762 2.681 1.00 0.00 C ATOM 283 C ALA A 23 7.926 -6.271 3.933 1.00 0.00 C ATOM 284 O ALA A 23 8.531 -7.344 3.925 1.00 0.00 O ATOM 285 CB ALA A 23 5.999 -6.616 2.376 1.00 0.00 C ATOM 0 H ALA A 23 7.736 -6.155 0.687 1.00 0.00 H new ATOM 0 HA ALA A 23 6.898 -4.738 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.332 -6.618 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.475 -6.206 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.314 -7.637 2.158 1.00 0.00 H new ATOM 291 N LYS A 24 7.846 -5.495 5.009 1.00 0.00 N ATOM 292 CA LYS A 24 8.476 -5.868 6.270 1.00 0.00 C ATOM 293 C LYS A 24 7.707 -6.996 6.950 1.00 0.00 C ATOM 294 O LYS A 24 8.292 -7.829 7.643 1.00 0.00 O ATOM 295 CB LYS A 24 8.555 -4.656 7.201 1.00 0.00 C ATOM 296 CG LYS A 24 7.197 -4.104 7.598 1.00 0.00 C ATOM 297 CD LYS A 24 7.254 -3.392 8.939 1.00 0.00 C ATOM 298 CE LYS A 24 7.862 -2.004 8.807 1.00 0.00 C ATOM 299 NZ LYS A 24 7.431 -1.103 9.911 1.00 0.00 N ATOM 0 H LYS A 24 7.351 -4.604 5.033 1.00 0.00 H new ATOM 0 HA LYS A 24 9.485 -6.219 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.102 -4.935 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.129 -3.869 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.847 -3.412 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.473 -4.917 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.249 -3.312 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.842 -3.983 9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.949 -2.082 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.572 -1.570 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.867 -0.167 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.395 -1.008 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.730 -1.504 10.823 1.00 0.00 H new ATOM 313 N SER A 25 6.394 -7.018 6.746 1.00 0.00 N ATOM 314 CA SER A 25 5.545 -8.043 7.342 1.00 0.00 C ATOM 315 C SER A 25 4.498 -8.529 6.344 1.00 0.00 C ATOM 316 O SER A 25 4.246 -7.882 5.328 1.00 0.00 O ATOM 317 CB SER A 25 4.857 -7.500 8.596 1.00 0.00 C ATOM 318 OG SER A 25 5.791 -7.292 9.641 1.00 0.00 O ATOM 0 H SER A 25 5.895 -6.338 6.173 1.00 0.00 H new ATOM 0 HA SER A 25 6.177 -8.887 7.619 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.354 -6.562 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.089 -8.200 8.925 1.00 0.00 H new ATOM 0 HG SER A 25 5.326 -6.943 10.430 1.00 0.00 H new ATOM 324 N ASN A 26 3.891 -9.673 6.642 1.00 0.00 N ATOM 325 CA ASN A 26 2.872 -10.247 5.772 1.00 0.00 C ATOM 326 C ASN A 26 1.473 -9.951 6.303 1.00 0.00 C ATOM 327 O ASN A 26 0.563 -10.771 6.178 1.00 0.00 O ATOM 328 CB ASN A 26 3.072 -11.759 5.645 1.00 0.00 C ATOM 329 CG ASN A 26 3.592 -12.382 6.926 1.00 0.00 C ATOM 330 OD1 ASN A 26 3.369 -11.861 8.019 1.00 0.00 O ATOM 331 ND2 ASN A 26 4.291 -13.504 6.796 1.00 0.00 N ATOM 0 H ASN A 26 4.087 -10.221 7.480 1.00 0.00 H new ATOM 0 HA ASN A 26 2.972 -9.790 4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.125 -12.227 5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.771 -11.964 4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.667 -13.969 7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.451 -13.901 5.870 1.00 0.00 H new ATOM 338 N ARG A 27 1.308 -8.773 6.896 1.00 0.00 N ATOM 339 CA ARG A 27 0.020 -8.368 7.448 1.00 0.00 C ATOM 340 C ARG A 27 -0.573 -7.211 6.650 1.00 0.00 C ATOM 341 O ARG A 27 -1.657 -7.329 6.079 1.00 0.00 O ATOM 342 CB ARG A 27 0.174 -7.964 8.915 1.00 0.00 C ATOM 343 CG ARG A 27 0.711 -9.077 9.800 1.00 0.00 C ATOM 344 CD ARG A 27 -0.392 -10.035 10.222 1.00 0.00 C ATOM 345 NE ARG A 27 0.070 -10.997 11.219 1.00 0.00 N ATOM 346 CZ ARG A 27 -0.547 -12.146 11.472 1.00 0.00 C ATOM 347 NH1 ARG A 27 -1.645 -12.474 10.805 1.00 0.00 N ATOM 348 NH2 ARG A 27 -0.065 -12.970 12.394 1.00 0.00 N ATOM 0 H ARG A 27 2.050 -8.082 7.007 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.659 -9.218 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.843 -7.106 8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.794 -7.642 9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.486 -9.626 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.178 -8.646 10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.230 -9.467 10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.762 -10.569 9.347 1.00 0.00 H new ATOM 0 HE ARG A 27 0.912 -10.775 11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.018 -11.843 10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.116 -13.357 11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.780 -12.721 12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.539 -13.852 12.588 1.00 0.00 H new ATOM 362 N SER A 28 0.145 -6.093 6.616 1.00 0.00 N ATOM 363 CA SER A 28 -0.313 -4.912 5.892 1.00 0.00 C ATOM 364 C SER A 28 -1.095 -5.310 4.644 1.00 0.00 C ATOM 365 O SER A 28 -0.530 -5.833 3.682 1.00 0.00 O ATOM 366 CB SER A 28 0.878 -4.034 5.503 1.00 0.00 C ATOM 367 OG SER A 28 1.602 -3.619 6.649 1.00 0.00 O ATOM 0 H SER A 28 1.046 -5.980 7.081 1.00 0.00 H new ATOM 0 HA SER A 28 -0.974 -4.346 6.549 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.537 -4.586 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.526 -3.160 4.955 1.00 0.00 H new ATOM 0 HG SER A 28 2.359 -3.061 6.373 1.00 0.00 H new ATOM 373 N THR A 29 -2.400 -5.059 4.666 1.00 0.00 N ATOM 374 CA THR A 29 -3.262 -5.390 3.538 1.00 0.00 C ATOM 375 C THR A 29 -3.457 -4.187 2.622 1.00 0.00 C ATOM 376 O THR A 29 -3.629 -3.061 3.089 1.00 0.00 O ATOM 377 CB THR A 29 -4.640 -5.889 4.012 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.477 -6.936 4.976 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.464 -6.397 2.839 1.00 0.00 C ATOM 0 H THR A 29 -2.884 -4.627 5.453 1.00 0.00 H new ATOM 0 HA THR A 29 -2.765 -6.187 2.984 1.00 0.00 H new ATOM 0 HB THR A 29 -5.167 -5.052 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.524 -7.061 5.165 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.433 -6.744 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.611 -5.590 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.940 -7.221 2.356 1.00 0.00 H new ATOM 387 N CYS A 30 -3.429 -4.433 1.317 1.00 0.00 N ATOM 388 CA CYS A 30 -3.603 -3.370 0.334 1.00 0.00 C ATOM 389 C CYS A 30 -4.981 -2.728 0.466 1.00 0.00 C ATOM 390 O CYS A 30 -5.929 -3.355 0.940 1.00 0.00 O ATOM 391 CB CYS A 30 -3.418 -3.920 -1.081 1.00 0.00 C ATOM 392 SG CYS A 30 -3.628 -2.676 -2.395 1.00 0.00 S ATOM 0 H CYS A 30 -3.287 -5.360 0.915 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.847 -2.608 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.422 -4.355 -1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.133 -4.727 -1.242 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.444 -3.234 -3.555 1.00 0.00 H new ATOM 397 N LYS A 31 -5.086 -1.472 0.043 1.00 0.00 N ATOM 398 CA LYS A 31 -6.347 -0.744 0.111 1.00 0.00 C ATOM 399 C LYS A 31 -7.032 -0.714 -1.251 1.00 0.00 C ATOM 400 O LYS A 31 -8.260 -0.706 -1.339 1.00 0.00 O ATOM 401 CB LYS A 31 -6.108 0.685 0.605 1.00 0.00 C ATOM 402 CG LYS A 31 -7.346 1.563 0.546 1.00 0.00 C ATOM 403 CD LYS A 31 -8.349 1.187 1.624 1.00 0.00 C ATOM 404 CE LYS A 31 -9.766 1.570 1.225 1.00 0.00 C ATOM 405 NZ LYS A 31 -10.710 1.476 2.373 1.00 0.00 N ATOM 0 H LYS A 31 -4.312 -0.937 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.999 -1.261 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.746 0.650 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.320 1.141 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.058 2.608 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.813 1.470 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.300 0.114 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.086 1.685 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.771 2.587 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.106 0.917 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.665 1.745 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.725 0.500 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.400 2.118 3.131 1.00 0.00 H new ATOM 419 N GLY A 32 -6.231 -0.700 -2.312 1.00 0.00 N ATOM 420 CA GLY A 32 -6.779 -0.672 -3.655 1.00 0.00 C ATOM 421 C GLY A 32 -7.630 -1.890 -3.959 1.00 0.00 C ATOM 422 O GLY A 32 -8.850 -1.787 -4.087 1.00 0.00 O ATOM 0 H GLY A 32 -5.212 -0.708 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.381 0.228 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.964 -0.613 -4.376 1.00 0.00 H new ATOM 426 N CYS A 33 -6.986 -3.046 -4.077 1.00 0.00 N ATOM 427 CA CYS A 33 -7.690 -4.288 -4.370 1.00 0.00 C ATOM 428 C CYS A 33 -8.245 -4.913 -3.093 1.00 0.00 C ATOM 429 O CYS A 33 -9.155 -5.740 -3.139 1.00 0.00 O ATOM 430 CB CYS A 33 -6.755 -5.276 -5.069 1.00 0.00 C ATOM 431 SG CYS A 33 -5.201 -5.593 -4.172 1.00 0.00 S ATOM 0 H CYS A 33 -5.976 -3.148 -3.974 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.524 -4.056 -5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.281 -6.221 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.517 -4.894 -6.062 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.254 -4.855 -4.670 1.00 0.00 H new ATOM 436 N MET A 34 -7.690 -4.510 -1.954 1.00 0.00 N ATOM 437 CA MET A 34 -8.131 -5.029 -0.665 1.00 0.00 C ATOM 438 C MET A 34 -7.770 -6.504 -0.520 1.00 0.00 C ATOM 439 O MET A 34 -8.611 -7.325 -0.155 1.00 0.00 O ATOM 440 CB MET A 34 -9.641 -4.844 -0.505 1.00 0.00 C ATOM 441 CG MET A 34 -10.112 -3.427 -0.790 1.00 0.00 C ATOM 442 SD MET A 34 -10.072 -2.373 0.672 1.00 0.00 S ATOM 443 CE MET A 34 -11.821 -2.081 0.927 1.00 0.00 C ATOM 0 H MET A 34 -6.935 -3.826 -1.898 1.00 0.00 H new ATOM 0 HA MET A 34 -7.619 -4.469 0.117 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.156 -5.531 -1.176 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.927 -5.116 0.511 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.484 -2.989 -1.566 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.128 -3.458 -1.182 1.00 0.00 H new ATOM 0 HE1 MET A 34 -11.960 -1.442 1.799 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.240 -1.591 0.048 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.329 -3.032 1.089 1.00 0.00 H new ATOM 453 N GLU A 35 -6.515 -6.833 -0.810 1.00 0.00 N ATOM 454 CA GLU A 35 -6.045 -8.211 -0.714 1.00 0.00 C ATOM 455 C GLU A 35 -4.763 -8.291 0.110 1.00 0.00 C ATOM 456 O GLU A 35 -3.843 -7.495 -0.072 1.00 0.00 O ATOM 457 CB GLU A 35 -5.805 -8.790 -2.109 1.00 0.00 C ATOM 458 CG GLU A 35 -4.477 -8.375 -2.720 1.00 0.00 C ATOM 459 CD GLU A 35 -4.461 -8.512 -4.230 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.553 -8.548 -4.835 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.356 -8.583 -4.807 1.00 0.00 O ATOM 0 H GLU A 35 -5.806 -6.165 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.816 -8.797 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.846 -9.878 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.613 -8.474 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.265 -7.340 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.680 -8.985 -2.295 1.00 0.00 H new ATOM 468 N LYS A 36 -4.711 -9.259 1.019 1.00 0.00 N ATOM 469 CA LYS A 36 -3.544 -9.447 1.872 1.00 0.00 C ATOM 470 C LYS A 36 -2.255 -9.223 1.087 1.00 0.00 C ATOM 471 O LYS A 36 -2.249 -9.279 -0.143 1.00 0.00 O ATOM 472 CB LYS A 36 -3.548 -10.853 2.476 1.00 0.00 C ATOM 473 CG LYS A 36 -4.027 -10.895 3.916 1.00 0.00 C ATOM 474 CD LYS A 36 -3.066 -10.174 4.845 1.00 0.00 C ATOM 475 CE LYS A 36 -3.785 -9.603 6.058 1.00 0.00 C ATOM 476 NZ LYS A 36 -4.128 -10.662 7.048 1.00 0.00 N ATOM 0 H LYS A 36 -5.465 -9.926 1.184 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.592 -8.713 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.186 -11.497 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.540 -11.264 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.014 -10.437 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.133 -11.932 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.289 -10.864 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.569 -9.369 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.155 -8.852 6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.696 -9.098 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.617 -10.233 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.750 -11.366 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.257 -11.127 7.375 1.00 0.00 H new ATOM 490 N ILE A 37 -1.166 -8.970 1.806 1.00 0.00 N ATOM 491 CA ILE A 37 0.128 -8.741 1.176 1.00 0.00 C ATOM 492 C ILE A 37 1.207 -9.620 1.800 1.00 0.00 C ATOM 493 O ILE A 37 1.436 -9.573 3.008 1.00 0.00 O ATOM 494 CB ILE A 37 0.555 -7.266 1.289 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.542 -6.351 0.740 1.00 0.00 C ATOM 496 CG2 ILE A 37 1.864 -7.035 0.547 1.00 0.00 C ATOM 497 CD1 ILE A 37 -0.222 -4.878 0.869 1.00 0.00 C ATOM 0 H ILE A 37 -1.155 -8.919 2.825 1.00 0.00 H new ATOM 0 HA ILE A 37 0.017 -8.999 0.123 1.00 0.00 H new ATOM 0 HB ILE A 37 0.709 -7.028 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.709 -6.587 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.474 -6.559 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.153 -5.988 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.643 -7.664 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.735 -7.288 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.043 -4.290 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.084 -4.626 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.693 -4.655 0.320 1.00 0.00 H new ATOM 509 N GLU A 38 1.866 -10.419 0.968 1.00 0.00 N ATOM 510 CA GLU A 38 2.922 -11.308 1.439 1.00 0.00 C ATOM 511 C GLU A 38 4.122 -10.510 1.941 1.00 0.00 C ATOM 512 O GLU A 38 4.350 -9.377 1.516 1.00 0.00 O ATOM 513 CB GLU A 38 3.358 -12.256 0.320 1.00 0.00 C ATOM 514 CG GLU A 38 2.198 -12.927 -0.397 1.00 0.00 C ATOM 515 CD GLU A 38 2.653 -13.813 -1.540 1.00 0.00 C ATOM 516 OE1 GLU A 38 3.816 -14.267 -1.512 1.00 0.00 O ATOM 517 OE2 GLU A 38 1.846 -14.051 -2.463 1.00 0.00 O ATOM 0 H GLU A 38 1.688 -10.469 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 38 2.525 -11.894 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.950 -11.699 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.008 -13.024 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.631 -13.524 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.522 -12.163 -0.781 1.00 0.00 H new ATOM 524 N LYS A 39 4.885 -11.108 2.848 1.00 0.00 N ATOM 525 CA LYS A 39 6.062 -10.456 3.409 1.00 0.00 C ATOM 526 C LYS A 39 7.290 -10.706 2.539 1.00 0.00 C ATOM 527 O LYS A 39 7.842 -11.805 2.530 1.00 0.00 O ATOM 528 CB LYS A 39 6.321 -10.959 4.831 1.00 0.00 C ATOM 529 CG LYS A 39 7.524 -10.313 5.496 1.00 0.00 C ATOM 530 CD LYS A 39 7.962 -11.087 6.728 1.00 0.00 C ATOM 531 CE LYS A 39 9.454 -10.933 6.981 1.00 0.00 C ATOM 532 NZ LYS A 39 9.887 -11.662 8.205 1.00 0.00 N ATOM 0 H LYS A 39 4.709 -12.045 3.211 1.00 0.00 H new ATOM 0 HA LYS A 39 5.872 -9.383 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.436 -10.773 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.468 -12.039 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.349 -10.261 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.279 -9.289 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.406 -10.735 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.720 -12.142 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.009 -11.307 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.698 -9.876 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.910 -11.532 8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.376 -11.288 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.678 -12.675 8.098 1.00 0.00 H new ATOM 546 N GLY A 40 7.712 -9.678 1.809 1.00 0.00 N ATOM 547 CA GLY A 40 8.872 -9.808 0.947 1.00 0.00 C ATOM 548 C GLY A 40 8.622 -9.268 -0.447 1.00 0.00 C ATOM 549 O GLY A 40 9.536 -8.762 -1.097 1.00 0.00 O ATOM 0 H GLY A 40 7.271 -8.758 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.713 -9.278 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.156 -10.858 0.881 1.00 0.00 H new ATOM 553 N GLN A 41 7.380 -9.379 -0.908 1.00 0.00 N ATOM 554 CA GLN A 41 7.013 -8.900 -2.236 1.00 0.00 C ATOM 555 C GLN A 41 7.135 -7.382 -2.320 1.00 0.00 C ATOM 556 O GLN A 41 6.879 -6.673 -1.346 1.00 0.00 O ATOM 557 CB GLN A 41 5.586 -9.329 -2.579 1.00 0.00 C ATOM 558 CG GLN A 41 4.570 -8.978 -1.504 1.00 0.00 C ATOM 559 CD GLN A 41 3.142 -9.033 -2.010 1.00 0.00 C ATOM 560 OE1 GLN A 41 2.485 -8.003 -2.164 1.00 0.00 O ATOM 561 NE2 GLN A 41 2.652 -10.239 -2.273 1.00 0.00 N ATOM 0 H GLN A 41 6.612 -9.796 -0.382 1.00 0.00 H new ATOM 0 HA GLN A 41 7.701 -9.342 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.289 -8.857 -3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.569 -10.406 -2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.681 -9.666 -0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.779 -7.978 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.231 -11.067 -2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.697 -10.338 -2.617 1.00 0.00 H new ATOM 570 N VAL A 42 7.528 -6.889 -3.490 1.00 0.00 N ATOM 571 CA VAL A 42 7.683 -5.455 -3.702 1.00 0.00 C ATOM 572 C VAL A 42 6.356 -4.726 -3.525 1.00 0.00 C ATOM 573 O VAL A 42 5.358 -5.069 -4.160 1.00 0.00 O ATOM 574 CB VAL A 42 8.240 -5.151 -5.106 1.00 0.00 C ATOM 575 CG1 VAL A 42 8.105 -3.670 -5.425 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.690 -5.599 -5.212 1.00 0.00 C ATOM 0 H VAL A 42 7.745 -7.462 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 42 8.392 -5.100 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 42 7.657 -5.710 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.504 -3.474 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.053 -3.385 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.661 -3.087 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.067 -5.377 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.289 -5.070 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.753 -6.672 -5.031 1.00 0.00 H new ATOM 586 N ARG A 43 6.351 -3.718 -2.658 1.00 0.00 N ATOM 587 CA ARG A 43 5.146 -2.941 -2.397 1.00 0.00 C ATOM 588 C ARG A 43 5.411 -1.449 -2.578 1.00 0.00 C ATOM 589 O ARG A 43 6.536 -1.038 -2.864 1.00 0.00 O ATOM 590 CB ARG A 43 4.636 -3.211 -0.980 1.00 0.00 C ATOM 591 CG ARG A 43 5.592 -2.751 0.109 1.00 0.00 C ATOM 592 CD ARG A 43 5.029 -3.023 1.495 1.00 0.00 C ATOM 593 NE ARG A 43 5.857 -2.439 2.546 1.00 0.00 N ATOM 594 CZ ARG A 43 5.576 -2.533 3.841 1.00 0.00 C ATOM 595 NH1 ARG A 43 4.494 -3.185 4.242 1.00 0.00 N ATOM 596 NH2 ARG A 43 6.379 -1.974 4.738 1.00 0.00 N ATOM 0 H ARG A 43 7.168 -3.421 -2.125 1.00 0.00 H new ATOM 0 HA ARG A 43 4.384 -3.247 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.678 -2.709 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.455 -4.280 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.548 -3.263 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.787 -1.684 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.019 -2.618 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.952 -4.099 1.650 1.00 0.00 H new ATOM 0 HE ARG A 43 6.698 -1.931 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.875 -3.616 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.281 -3.256 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.213 -1.472 4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.162 -2.047 5.732 1.00 0.00 H new ATOM 610 N LEU A 44 4.367 -0.644 -2.411 1.00 0.00 N ATOM 611 CA LEU A 44 4.487 0.803 -2.556 1.00 0.00 C ATOM 612 C LEU A 44 3.543 1.525 -1.600 1.00 0.00 C ATOM 613 O LEU A 44 2.340 1.267 -1.586 1.00 0.00 O ATOM 614 CB LEU A 44 4.186 1.217 -3.997 1.00 0.00 C ATOM 615 CG LEU A 44 5.167 0.716 -5.058 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.472 0.574 -6.403 1.00 0.00 C ATOM 617 CD2 LEU A 44 6.360 1.655 -5.168 1.00 0.00 C ATOM 0 H LEU A 44 3.429 -0.968 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 44 5.511 1.085 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.189 0.861 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.157 2.306 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 44 5.530 -0.266 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.186 0.217 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.652 -0.139 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.080 1.542 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.047 1.283 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.015 2.650 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.873 1.705 -4.208 1.00 0.00 H new ATOM 629 N SER A 45 4.098 2.434 -0.804 1.00 0.00 N ATOM 630 CA SER A 45 3.306 3.194 0.157 1.00 0.00 C ATOM 631 C SER A 45 3.150 4.643 -0.293 1.00 0.00 C ATOM 632 O SER A 45 3.925 5.138 -1.112 1.00 0.00 O ATOM 633 CB SER A 45 3.958 3.144 1.540 1.00 0.00 C ATOM 634 OG SER A 45 5.188 3.849 1.549 1.00 0.00 O ATOM 0 H SER A 45 5.092 2.662 -0.805 1.00 0.00 H new ATOM 0 HA SER A 45 2.316 2.741 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.283 3.574 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.127 2.107 1.829 1.00 0.00 H new ATOM 0 HG SER A 45 5.584 3.804 2.444 1.00 0.00 H new ATOM 640 N LYS A 46 2.143 5.319 0.248 1.00 0.00 N ATOM 641 CA LYS A 46 1.884 6.713 -0.094 1.00 0.00 C ATOM 642 C LYS A 46 1.374 7.485 1.118 1.00 0.00 C ATOM 643 O LYS A 46 0.271 7.237 1.606 1.00 0.00 O ATOM 644 CB LYS A 46 0.865 6.798 -1.233 1.00 0.00 C ATOM 645 CG LYS A 46 0.764 8.180 -1.856 1.00 0.00 C ATOM 646 CD LYS A 46 -0.535 8.351 -2.626 1.00 0.00 C ATOM 647 CE LYS A 46 -0.589 9.694 -3.337 1.00 0.00 C ATOM 648 NZ LYS A 46 -0.845 10.814 -2.389 1.00 0.00 N ATOM 0 H LYS A 46 1.492 4.924 0.926 1.00 0.00 H new ATOM 0 HA LYS A 46 2.822 7.162 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.136 6.079 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.115 6.506 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.828 8.938 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.609 8.341 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.635 7.548 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.379 8.266 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.353 9.867 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.373 9.673 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.009 11.691 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.684 10.597 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.021 10.937 -1.767 1.00 0.00 H new ATOM 662 N LYS A 47 2.182 8.425 1.598 1.00 0.00 N ATOM 663 CA LYS A 47 1.812 9.237 2.751 1.00 0.00 C ATOM 664 C LYS A 47 0.812 10.319 2.356 1.00 0.00 C ATOM 665 O LYS A 47 1.169 11.298 1.702 1.00 0.00 O ATOM 666 CB LYS A 47 3.056 9.878 3.369 1.00 0.00 C ATOM 667 CG LYS A 47 2.911 10.182 4.850 1.00 0.00 C ATOM 668 CD LYS A 47 4.265 10.280 5.534 1.00 0.00 C ATOM 669 CE LYS A 47 4.809 11.700 5.492 1.00 0.00 C ATOM 670 NZ LYS A 47 4.373 12.496 6.673 1.00 0.00 N ATOM 0 H LYS A 47 3.098 8.643 1.206 1.00 0.00 H new ATOM 0 HA LYS A 47 1.343 8.585 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.907 9.213 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.281 10.803 2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.369 11.119 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.317 9.402 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.175 9.954 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.969 9.605 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.898 11.671 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.473 12.191 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.997 13.320 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.395 12.819 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.423 11.905 7.527 1.00 0.00 H new ATOM 684 N MET A 48 -0.441 10.135 2.759 1.00 0.00 N ATOM 685 CA MET A 48 -1.492 11.098 2.450 1.00 0.00 C ATOM 686 C MET A 48 -2.617 11.024 3.477 1.00 0.00 C ATOM 687 O MET A 48 -2.769 10.022 4.175 1.00 0.00 O ATOM 688 CB MET A 48 -2.048 10.845 1.047 1.00 0.00 C ATOM 689 CG MET A 48 -2.968 9.637 0.967 1.00 0.00 C ATOM 690 SD MET A 48 -3.841 9.531 -0.607 1.00 0.00 S ATOM 691 CE MET A 48 -5.373 10.366 -0.200 1.00 0.00 C ATOM 0 H MET A 48 -0.753 9.329 3.300 1.00 0.00 H new ATOM 0 HA MET A 48 -1.057 12.097 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.593 11.729 0.716 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.217 10.705 0.355 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.383 8.729 1.115 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.694 9.684 1.778 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.022 10.382 -1.075 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.872 9.836 0.612 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.159 11.388 0.112 1.00 0.00 H new ATOM 701 N VAL A 49 -3.404 12.092 3.564 1.00 0.00 N ATOM 702 CA VAL A 49 -4.516 12.148 4.505 1.00 0.00 C ATOM 703 C VAL A 49 -5.781 11.552 3.897 1.00 0.00 C ATOM 704 O VAL A 49 -6.238 11.986 2.840 1.00 0.00 O ATOM 705 CB VAL A 49 -4.805 13.594 4.948 1.00 0.00 C ATOM 706 CG1 VAL A 49 -6.193 13.698 5.562 1.00 0.00 C ATOM 707 CG2 VAL A 49 -3.743 14.073 5.927 1.00 0.00 C ATOM 0 H VAL A 49 -3.292 12.930 2.994 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.223 11.561 5.376 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.774 14.238 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.379 14.727 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.940 13.398 4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.256 13.043 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.963 15.097 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.740 13.427 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.764 14.038 5.448 1.00 0.00 H new ATOM 717 N ASP A 50 -6.342 10.555 4.573 1.00 0.00 N ATOM 718 CA ASP A 50 -7.556 9.899 4.100 1.00 0.00 C ATOM 719 C ASP A 50 -8.768 10.810 4.273 1.00 0.00 C ATOM 720 O ASP A 50 -9.091 11.252 5.375 1.00 0.00 O ATOM 721 CB ASP A 50 -7.778 8.587 4.853 1.00 0.00 C ATOM 722 CG ASP A 50 -8.543 7.569 4.029 1.00 0.00 C ATOM 723 OD1 ASP A 50 -8.200 7.388 2.841 1.00 0.00 O ATOM 724 OD2 ASP A 50 -9.483 6.953 4.571 1.00 0.00 O ATOM 0 H ASP A 50 -5.976 10.184 5.450 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.434 9.684 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.813 8.168 5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.324 8.788 5.775 1.00 0.00 H new ATOM 729 N PRO A 51 -9.454 11.100 3.157 1.00 0.00 N ATOM 730 CA PRO A 51 -10.640 11.962 3.159 1.00 0.00 C ATOM 731 C PRO A 51 -11.834 11.302 3.840 1.00 0.00 C ATOM 732 O PRO A 51 -12.850 11.948 4.093 1.00 0.00 O ATOM 733 CB PRO A 51 -10.924 12.177 1.671 1.00 0.00 C ATOM 734 CG PRO A 51 -10.332 10.988 0.996 1.00 0.00 C ATOM 735 CD PRO A 51 -9.125 10.610 1.808 1.00 0.00 C ATOM 0 HA PRO A 51 -10.472 12.886 3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.994 12.249 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.473 13.102 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.047 10.167 0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.054 11.221 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.958 9.533 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.219 11.076 1.421 1.00 0.00 H new ATOM 743 N GLU A 52 -11.704 10.012 4.133 1.00 0.00 N ATOM 744 CA GLU A 52 -12.775 9.266 4.785 1.00 0.00 C ATOM 745 C GLU A 52 -12.610 9.290 6.301 1.00 0.00 C ATOM 746 O GLU A 52 -13.572 9.501 7.039 1.00 0.00 O ATOM 747 CB GLU A 52 -12.795 7.819 4.286 1.00 0.00 C ATOM 748 CG GLU A 52 -13.305 7.674 2.862 1.00 0.00 C ATOM 749 CD GLU A 52 -13.120 6.271 2.317 1.00 0.00 C ATOM 750 OE1 GLU A 52 -12.127 5.615 2.693 1.00 0.00 O ATOM 751 OE2 GLU A 52 -13.969 5.829 1.514 1.00 0.00 O ATOM 0 H GLU A 52 -10.869 9.462 3.930 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.722 9.744 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.787 7.409 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.421 7.223 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.363 7.936 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.782 8.382 2.219 1.00 0.00 H new ATOM 758 N LYS A 53 -11.382 9.071 6.761 1.00 0.00 N ATOM 759 CA LYS A 53 -11.088 9.068 8.189 1.00 0.00 C ATOM 760 C LYS A 53 -9.982 10.065 8.519 1.00 0.00 C ATOM 761 O LYS A 53 -8.807 9.713 8.626 1.00 0.00 O ATOM 762 CB LYS A 53 -10.677 7.665 8.643 1.00 0.00 C ATOM 763 CG LYS A 53 -11.824 6.669 8.654 1.00 0.00 C ATOM 764 CD LYS A 53 -11.334 5.253 8.404 1.00 0.00 C ATOM 765 CE LYS A 53 -10.645 4.676 9.631 1.00 0.00 C ATOM 766 NZ LYS A 53 -10.342 3.227 9.468 1.00 0.00 N ATOM 0 H LYS A 53 -10.574 8.893 6.164 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.992 9.365 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.892 7.295 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.251 7.727 9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.337 6.713 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.553 6.943 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.176 4.619 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.642 5.250 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.720 5.221 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.281 4.818 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.873 2.872 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.227 2.702 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.714 3.094 8.650 1.00 0.00 H new ATOM 780 N PRO A 54 -10.364 11.340 8.685 1.00 0.00 N ATOM 781 CA PRO A 54 -9.420 12.414 9.008 1.00 0.00 C ATOM 782 C PRO A 54 -8.865 12.292 10.423 1.00 0.00 C ATOM 783 O PRO A 54 -7.754 12.740 10.704 1.00 0.00 O ATOM 784 CB PRO A 54 -10.265 13.682 8.872 1.00 0.00 C ATOM 785 CG PRO A 54 -11.665 13.233 9.112 1.00 0.00 C ATOM 786 CD PRO A 54 -11.748 11.831 8.572 1.00 0.00 C ATOM 0 HA PRO A 54 -8.545 12.397 8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.963 14.439 9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.156 14.126 7.883 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.906 13.257 10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.377 13.888 8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.440 11.218 9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.096 11.818 7.539 1.00 0.00 H new ATOM 794 N GLN A 55 -9.646 11.684 11.310 1.00 0.00 N ATOM 795 CA GLN A 55 -9.232 11.504 12.696 1.00 0.00 C ATOM 796 C GLN A 55 -7.754 11.136 12.780 1.00 0.00 C ATOM 797 O GLN A 55 -7.005 11.708 13.572 1.00 0.00 O ATOM 798 CB GLN A 55 -10.078 10.421 13.367 1.00 0.00 C ATOM 799 CG GLN A 55 -11.488 10.316 12.808 1.00 0.00 C ATOM 800 CD GLN A 55 -12.124 11.672 12.572 1.00 0.00 C ATOM 801 OE1 GLN A 55 -12.875 11.860 11.614 1.00 0.00 O ATOM 802 NE2 GLN A 55 -11.828 12.626 13.447 1.00 0.00 N ATOM 0 H GLN A 55 -10.569 11.308 11.093 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.383 12.449 13.219 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.578 9.459 13.253 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.134 10.626 14.436 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.462 9.762 11.869 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.107 9.744 13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.201 12.427 14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.228 13.558 13.340 1.00 0.00 H new ATOM 811 N LEU A 56 -7.341 10.178 11.957 1.00 0.00 N ATOM 812 CA LEU A 56 -5.952 9.733 11.938 1.00 0.00 C ATOM 813 C LEU A 56 -5.070 10.733 11.196 1.00 0.00 C ATOM 814 O LEU A 56 -3.915 10.946 11.560 1.00 0.00 O ATOM 815 CB LEU A 56 -5.846 8.356 11.281 1.00 0.00 C ATOM 816 CG LEU A 56 -7.031 7.415 11.501 1.00 0.00 C ATOM 817 CD1 LEU A 56 -6.793 6.085 10.802 1.00 0.00 C ATOM 818 CD2 LEU A 56 -7.274 7.202 12.988 1.00 0.00 C ATOM 0 H LEU A 56 -7.948 9.695 11.295 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.604 9.664 12.969 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.714 8.497 10.208 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.945 7.867 11.652 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.920 7.875 11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.647 5.428 10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.669 6.253 9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.893 5.619 11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.121 6.530 13.126 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.385 6.764 13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.490 8.159 13.462 1.00 0.00 H new ATOM 830 N GLY A 57 -5.625 11.344 10.154 1.00 0.00 N ATOM 831 CA GLY A 57 -4.876 12.315 9.378 1.00 0.00 C ATOM 832 C GLY A 57 -3.791 11.673 8.537 1.00 0.00 C ATOM 833 O GLY A 57 -4.070 10.806 7.709 1.00 0.00 O ATOM 0 H GLY A 57 -6.580 11.184 9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.560 12.861 8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.426 13.044 10.052 1.00 0.00 H new ATOM 837 N MET A 58 -2.550 12.100 8.747 1.00 0.00 N ATOM 838 CA MET A 58 -1.420 11.560 8.001 1.00 0.00 C ATOM 839 C MET A 58 -1.223 10.079 8.308 1.00 0.00 C ATOM 840 O MET A 58 -0.838 9.712 9.418 1.00 0.00 O ATOM 841 CB MET A 58 -0.144 12.336 8.335 1.00 0.00 C ATOM 842 CG MET A 58 0.005 13.628 7.549 1.00 0.00 C ATOM 843 SD MET A 58 0.928 13.406 6.016 1.00 0.00 S ATOM 844 CE MET A 58 0.064 12.012 5.298 1.00 0.00 C ATOM 0 H MET A 58 -2.302 12.818 9.427 1.00 0.00 H new ATOM 0 HA MET A 58 -1.634 11.667 6.938 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.137 12.566 9.400 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.720 11.700 8.140 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.984 14.025 7.319 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.510 14.369 8.168 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.412 11.855 4.277 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.261 11.118 5.890 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.007 12.213 5.289 1.00 0.00 H new ATOM 854 N ILE A 59 -1.491 9.234 7.318 1.00 0.00 N ATOM 855 CA ILE A 59 -1.342 7.793 7.483 1.00 0.00 C ATOM 856 C ILE A 59 -0.415 7.211 6.421 1.00 0.00 C ATOM 857 O ILE A 59 0.007 7.911 5.500 1.00 0.00 O ATOM 858 CB ILE A 59 -2.702 7.075 7.411 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.451 7.481 6.139 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.534 7.391 8.645 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.732 6.706 5.919 1.00 0.00 C ATOM 0 H ILE A 59 -1.812 9.522 6.394 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.907 7.631 8.469 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.527 6.000 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.683 8.545 6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.796 7.337 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.492 6.876 8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.003 7.057 9.537 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.703 8.466 8.704 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.210 7.046 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.505 5.643 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.406 6.870 6.760 1.00 0.00 H new ATOM 873 N ASP A 60 -0.105 5.926 6.554 1.00 0.00 N ATOM 874 CA ASP A 60 0.769 5.248 5.605 1.00 0.00 C ATOM 875 C ASP A 60 0.152 3.932 5.143 1.00 0.00 C ATOM 876 O ASP A 60 0.094 2.963 5.900 1.00 0.00 O ATOM 877 CB ASP A 60 2.139 4.991 6.234 1.00 0.00 C ATOM 878 CG ASP A 60 2.751 6.246 6.823 1.00 0.00 C ATOM 879 OD1 ASP A 60 2.474 7.345 6.297 1.00 0.00 O ATOM 880 OD2 ASP A 60 3.505 6.131 7.811 1.00 0.00 O ATOM 0 H ASP A 60 -0.446 5.333 7.310 1.00 0.00 H new ATOM 0 HA ASP A 60 0.893 5.895 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.041 4.237 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.811 4.582 5.479 1.00 0.00 H new ATOM 885 N ARG A 61 -0.308 3.905 3.896 1.00 0.00 N ATOM 886 CA ARG A 61 -0.922 2.708 3.334 1.00 0.00 C ATOM 887 C ARG A 61 0.045 1.988 2.399 1.00 0.00 C ATOM 888 O ARG A 61 1.115 2.506 2.079 1.00 0.00 O ATOM 889 CB ARG A 61 -2.202 3.073 2.579 1.00 0.00 C ATOM 890 CG ARG A 61 -3.299 3.629 3.472 1.00 0.00 C ATOM 891 CD ARG A 61 -4.183 2.521 4.023 1.00 0.00 C ATOM 892 NE ARG A 61 -3.666 1.980 5.277 1.00 0.00 N ATOM 893 CZ ARG A 61 -4.322 1.100 6.024 1.00 0.00 C ATOM 894 NH1 ARG A 61 -5.515 0.662 5.645 1.00 0.00 N ATOM 895 NH2 ARG A 61 -3.785 0.654 7.153 1.00 0.00 N ATOM 0 H ARG A 61 -0.267 4.698 3.256 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.171 2.037 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.963 3.808 1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.577 2.187 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.852 4.184 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.908 4.334 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.190 2.906 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.261 1.720 3.288 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.750 2.296 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.931 1.001 4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.017 -0.014 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.867 0.987 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.290 -0.022 7.726 1.00 0.00 H new ATOM 909 N TRP A 62 -0.339 0.793 1.966 1.00 0.00 N ATOM 910 CA TRP A 62 0.495 0.001 1.069 1.00 0.00 C ATOM 911 C TRP A 62 -0.326 -0.551 -0.091 1.00 0.00 C ATOM 912 O TRP A 62 -1.492 -0.911 0.077 1.00 0.00 O ATOM 913 CB TRP A 62 1.157 -1.146 1.833 1.00 0.00 C ATOM 914 CG TRP A 62 1.952 -0.689 3.019 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.503 -0.545 4.301 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.334 -0.315 3.031 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.523 -0.104 5.109 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.656 0.045 4.354 1.00 0.00 C ATOM 919 CE3 TRP A 62 4.331 -0.250 2.054 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.932 0.463 4.722 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.596 0.166 2.420 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.889 0.517 3.745 1.00 0.00 C ATOM 0 H TRP A 62 -1.222 0.351 2.221 1.00 0.00 H new ATOM 0 HA TRP A 62 1.270 0.652 0.664 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.388 -1.842 2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.811 -1.694 1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.495 -0.748 4.631 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.449 0.082 6.109 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.116 -0.520 1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.159 0.735 5.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.373 0.222 1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.889 0.836 4.000 1.00 0.00 H new ATOM 933 N TYR A 63 0.288 -0.617 -1.267 1.00 0.00 N ATOM 934 CA TYR A 63 -0.387 -1.124 -2.455 1.00 0.00 C ATOM 935 C TYR A 63 0.597 -1.834 -3.380 1.00 0.00 C ATOM 936 O TYR A 63 1.762 -1.449 -3.480 1.00 0.00 O ATOM 937 CB TYR A 63 -1.074 0.019 -3.204 1.00 0.00 C ATOM 938 CG TYR A 63 -1.748 1.021 -2.294 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.010 1.769 -1.385 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.122 1.219 -2.342 1.00 0.00 C ATOM 941 CE1 TYR A 63 -1.621 2.685 -0.551 1.00 0.00 C ATOM 942 CE2 TYR A 63 -3.742 2.134 -1.513 1.00 0.00 C ATOM 943 CZ TYR A 63 -2.987 2.864 -0.619 1.00 0.00 C ATOM 944 OH TYR A 63 -3.601 3.775 0.210 1.00 0.00 O ATOM 0 H TYR A 63 1.253 -0.325 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.140 -1.844 -2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.336 0.536 -3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.816 -0.398 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.060 1.632 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.716 0.648 -3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.033 3.258 0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.811 2.277 -1.565 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.565 3.779 0.034 1.00 0.00 H new ATOM 954 N HIS A 64 0.118 -2.874 -4.056 1.00 0.00 N ATOM 955 CA HIS A 64 0.954 -3.639 -4.974 1.00 0.00 C ATOM 956 C HIS A 64 1.296 -2.815 -6.212 1.00 0.00 C ATOM 957 O HIS A 64 0.554 -1.920 -6.616 1.00 0.00 O ATOM 958 CB HIS A 64 0.247 -4.931 -5.386 1.00 0.00 C ATOM 959 CG HIS A 64 -0.390 -5.656 -4.241 1.00 0.00 C ATOM 960 ND1 HIS A 64 -1.603 -5.288 -3.698 1.00 0.00 N ATOM 961 CD2 HIS A 64 0.024 -6.735 -3.536 1.00 0.00 C ATOM 962 CE1 HIS A 64 -1.906 -6.109 -2.708 1.00 0.00 C ATOM 963 NE2 HIS A 64 -0.935 -6.996 -2.589 1.00 0.00 N ATOM 0 H HIS A 64 -0.844 -3.206 -3.985 1.00 0.00 H new ATOM 0 HA HIS A 64 1.881 -3.890 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.517 -4.697 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.967 -5.592 -5.868 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.939 -7.288 -3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.797 -6.062 -2.099 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.903 -7.752 -1.905 1.00 0.00 H new ATOM 971 N PRO A 65 2.446 -3.123 -6.830 1.00 0.00 N ATOM 972 CA PRO A 65 2.912 -2.423 -8.030 1.00 0.00 C ATOM 973 C PRO A 65 1.819 -2.291 -9.085 1.00 0.00 C ATOM 974 O PRO A 65 1.810 -1.342 -9.868 1.00 0.00 O ATOM 975 CB PRO A 65 4.046 -3.314 -8.543 1.00 0.00 C ATOM 976 CG PRO A 65 4.545 -4.026 -7.333 1.00 0.00 C ATOM 977 CD PRO A 65 3.380 -4.179 -6.404 1.00 0.00 C ATOM 0 HA PRO A 65 3.221 -1.401 -7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.688 -4.016 -9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.835 -2.723 -9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.956 -5.000 -7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.347 -3.462 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.930 -5.168 -6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.679 -4.052 -5.364 1.00 0.00 H new ATOM 985 N GLY A 66 0.899 -3.251 -9.101 1.00 0.00 N ATOM 986 CA GLY A 66 -0.186 -3.222 -10.064 1.00 0.00 C ATOM 987 C GLY A 66 -1.259 -2.216 -9.700 1.00 0.00 C ATOM 988 O GLY A 66 -1.857 -1.589 -10.576 1.00 0.00 O ATOM 0 H GLY A 66 0.886 -4.048 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.213 -2.982 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.632 -4.214 -10.134 1.00 0.00 H new ATOM 992 N CYS A 67 -1.506 -2.060 -8.403 1.00 0.00 N ATOM 993 CA CYS A 67 -2.516 -1.124 -7.924 1.00 0.00 C ATOM 994 C CYS A 67 -2.013 0.314 -8.017 1.00 0.00 C ATOM 995 O CYS A 67 -2.803 1.257 -8.074 1.00 0.00 O ATOM 996 CB CYS A 67 -2.898 -1.450 -6.479 1.00 0.00 C ATOM 997 SG CYS A 67 -3.322 -3.199 -6.198 1.00 0.00 S ATOM 0 H CYS A 67 -1.020 -2.570 -7.665 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.398 -1.223 -8.557 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.069 -1.179 -5.825 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.747 -0.831 -6.190 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.544 -3.692 -5.280 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.694 0.474 -8.032 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.085 1.796 -8.117 1.00 0.00 C ATOM 1004 C PHE A 68 -0.282 2.397 -9.506 1.00 0.00 C ATOM 1005 O PHE A 68 -0.586 3.582 -9.645 1.00 0.00 O ATOM 1006 CB PHE A 68 1.408 1.715 -7.792 1.00 0.00 C ATOM 1007 CG PHE A 68 1.969 2.990 -7.229 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.546 3.464 -5.998 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.920 3.713 -7.931 1.00 0.00 C ATOM 1010 CE1 PHE A 68 2.060 4.637 -5.478 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.437 4.887 -7.416 1.00 0.00 C ATOM 1012 CZ PHE A 68 3.007 5.349 -6.188 1.00 0.00 C ATOM 0 H PHE A 68 -0.026 -0.296 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.574 2.441 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.573 0.908 -7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.955 1.455 -8.698 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.806 2.911 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.261 3.355 -8.891 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.721 4.996 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.177 5.442 -7.974 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.410 6.265 -5.783 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.106 1.571 -10.532 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.265 2.019 -11.911 1.00 0.00 C ATOM 1024 C VAL A 69 -1.722 2.351 -12.216 1.00 0.00 C ATOM 1025 O VAL A 69 -2.042 3.462 -12.638 1.00 0.00 O ATOM 1026 CB VAL A 69 0.227 0.953 -12.908 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.121 1.468 -14.335 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.656 0.542 -12.585 1.00 0.00 C ATOM 0 H VAL A 69 0.147 0.588 -10.435 1.00 0.00 H new ATOM 0 HA VAL A 69 0.341 2.918 -12.024 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.409 0.073 -12.817 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.473 0.702 -15.026 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.918 1.708 -14.559 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.732 2.364 -14.445 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.988 -0.212 -13.299 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.308 1.413 -12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.697 0.130 -11.577 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.602 1.379 -12.000 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.026 1.567 -12.250 1.00 0.00 C ATOM 1040 C LYS A 70 -4.554 2.785 -11.499 1.00 0.00 C ATOM 1041 O LYS A 70 -5.304 3.589 -12.051 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.807 0.319 -11.833 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.393 -0.936 -12.582 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.196 -2.145 -12.130 1.00 0.00 C ATOM 1045 CE LYS A 70 -4.925 -3.355 -13.012 1.00 0.00 C ATOM 1046 NZ LYS A 70 -5.791 -4.511 -12.649 1.00 0.00 N ATOM 0 H LYS A 70 -2.354 0.453 -11.652 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.163 1.734 -13.318 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.671 0.156 -10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.870 0.495 -11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.532 -0.785 -13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.331 -1.123 -12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.946 -2.384 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.259 -1.907 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.093 -3.089 -14.056 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.878 -3.643 -12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.576 -5.315 -13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.612 -4.782 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.790 -4.245 -12.760 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.157 2.915 -10.238 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.590 4.036 -9.411 1.00 0.00 C ATOM 1062 C ASN A 71 -3.489 5.086 -9.298 1.00 0.00 C ATOM 1063 O ASN A 71 -3.358 5.755 -8.273 1.00 0.00 O ATOM 1064 CB ASN A 71 -4.988 3.545 -8.018 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.069 2.483 -8.066 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.222 2.739 -7.717 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -5.701 1.283 -8.499 1.00 0.00 N ATOM 0 H ASN A 71 -3.536 2.258 -9.766 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.456 4.494 -9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.110 3.143 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.338 4.389 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.385 0.528 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.734 1.116 -8.778 1.00 0.00 H new ATOM 1074 N ARG A 72 -2.700 5.224 -10.359 1.00 0.00 N ATOM 1075 CA ARG A 72 -1.609 6.192 -10.378 1.00 0.00 C ATOM 1076 C ARG A 72 -2.149 7.618 -10.432 1.00 0.00 C ATOM 1077 O ARG A 72 -1.637 8.511 -9.759 1.00 0.00 O ATOM 1078 CB ARG A 72 -0.693 5.936 -11.577 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.278 6.402 -12.900 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.277 6.250 -14.035 1.00 0.00 C ATOM 1081 NE ARG A 72 0.621 7.398 -14.130 1.00 0.00 N ATOM 1082 CZ ARG A 72 1.411 7.628 -15.173 1.00 0.00 C ATOM 1083 NH1 ARG A 72 1.413 6.794 -16.205 1.00 0.00 N ATOM 1084 NH2 ARG A 72 2.200 8.694 -15.187 1.00 0.00 N ATOM 0 H ARG A 72 -2.796 4.679 -11.216 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.035 6.074 -9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.258 6.442 -11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.480 4.869 -11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.176 5.826 -13.125 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.581 7.446 -12.818 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.309 5.343 -13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.812 6.130 -14.977 1.00 0.00 H new ATOM 0 HE ARG A 72 0.643 8.059 -13.353 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.807 5.974 -16.199 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.021 6.973 -17.004 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.201 9.338 -14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.806 8.869 -15.988 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.186 7.823 -11.239 1.00 0.00 N ATOM 1099 CA GLU A 73 -3.793 9.141 -11.382 1.00 0.00 C ATOM 1100 C GLU A 73 -4.732 9.436 -10.216 1.00 0.00 C ATOM 1101 O GLU A 73 -4.684 10.514 -9.625 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.558 9.234 -12.703 1.00 0.00 C ATOM 1103 CG GLU A 73 -3.661 9.431 -13.914 1.00 0.00 C ATOM 1104 CD GLU A 73 -3.254 10.879 -14.108 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -4.128 11.762 -13.985 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -2.062 11.128 -14.385 1.00 0.00 O ATOM 0 H GLU A 73 -3.623 7.094 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.995 9.883 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.143 8.324 -12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.265 10.062 -12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.767 8.818 -13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.179 9.080 -14.806 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.586 8.470 -9.892 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.537 8.627 -8.798 1.00 0.00 C ATOM 1115 C GLU A 74 -5.820 8.992 -7.501 1.00 0.00 C ATOM 1116 O GLU A 74 -6.156 9.982 -6.850 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.342 7.340 -8.604 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.498 7.487 -7.628 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.564 8.443 -8.126 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -10.408 8.016 -8.942 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -9.556 9.616 -7.700 1.00 0.00 O ATOM 0 H GLU A 74 -5.639 7.571 -10.371 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.218 9.438 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.731 7.016 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.675 6.554 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.946 6.509 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.117 7.841 -6.670 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.831 8.186 -7.133 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.065 8.422 -5.914 1.00 0.00 C ATOM 1130 C LEU A 75 -3.516 9.845 -5.883 1.00 0.00 C ATOM 1131 O LEU A 75 -3.373 10.443 -4.817 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.917 7.417 -5.806 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.281 6.036 -5.261 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.135 5.059 -5.471 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.645 6.125 -3.786 1.00 0.00 C ATOM 0 H LEU A 75 -4.540 7.363 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.734 8.292 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.478 7.290 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.145 7.845 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.149 5.668 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.413 4.082 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.921 4.973 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.248 5.421 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.901 5.133 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.796 6.515 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.499 6.791 -3.661 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.211 10.382 -7.060 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.683 11.731 -7.146 1.00 0.00 C ATOM 1149 C GLY A 76 -1.212 11.756 -7.508 1.00 0.00 C ATOM 1150 O GLY A 76 -0.454 12.582 -6.999 1.00 0.00 O ATOM 0 H GLY A 76 -3.320 9.907 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.247 12.292 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.828 12.236 -6.191 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.805 10.847 -8.388 1.00 0.00 N ATOM 1155 CA PHE A 77 0.587 10.766 -8.815 1.00 0.00 C ATOM 1156 C PHE A 77 0.837 11.658 -10.027 1.00 0.00 C ATOM 1157 O PHE A 77 0.120 11.583 -11.025 1.00 0.00 O ATOM 1158 CB PHE A 77 0.957 9.319 -9.148 1.00 0.00 C ATOM 1159 CG PHE A 77 2.432 9.044 -9.069 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.131 9.276 -7.896 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.118 8.552 -10.167 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.488 9.025 -7.820 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.475 8.298 -10.098 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.161 8.534 -8.922 1.00 0.00 C ATOM 0 H PHE A 77 -1.419 10.156 -8.819 1.00 0.00 H new ATOM 0 HA PHE A 77 1.214 11.115 -7.994 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.434 8.652 -8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.605 9.084 -10.153 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.610 9.658 -7.031 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.586 8.365 -11.088 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.022 9.213 -6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.998 7.916 -10.962 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.221 8.335 -8.864 1.00 0.00 H new ATOM 1174 N ARG A 78 1.859 12.503 -9.932 1.00 0.00 N ATOM 1175 CA ARG A 78 2.203 13.411 -11.019 1.00 0.00 C ATOM 1176 C ARG A 78 3.271 12.800 -11.920 1.00 0.00 C ATOM 1177 O ARG A 78 4.071 11.965 -11.498 1.00 0.00 O ATOM 1178 CB ARG A 78 2.695 14.747 -10.459 1.00 0.00 C ATOM 1179 CG ARG A 78 1.658 15.476 -9.621 1.00 0.00 C ATOM 1180 CD ARG A 78 1.753 15.087 -8.154 1.00 0.00 C ATOM 1181 NE ARG A 78 0.595 15.542 -7.390 1.00 0.00 N ATOM 1182 CZ ARG A 78 0.604 15.715 -6.073 1.00 0.00 C ATOM 1183 NH1 ARG A 78 1.707 15.474 -5.378 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -0.490 16.132 -5.449 1.00 0.00 N ATOM 0 H ARG A 78 2.463 12.577 -9.113 1.00 0.00 H new ATOM 0 HA ARG A 78 1.306 13.583 -11.614 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.583 14.572 -9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.997 15.389 -11.287 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.798 16.552 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.660 15.247 -9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.839 14.004 -8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.660 15.512 -7.724 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.269 15.738 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.551 15.155 -5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.712 15.607 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.340 16.320 -5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.481 16.264 -4.438 1.00 0.00 H new ATOM 1198 N PRO A 79 3.286 13.225 -13.193 1.00 0.00 N ATOM 1199 CA PRO A 79 4.251 12.733 -14.180 1.00 0.00 C ATOM 1200 C PRO A 79 5.668 13.220 -13.898 1.00 0.00 C ATOM 1201 O PRO A 79 6.602 12.899 -14.633 1.00 0.00 O ATOM 1202 CB PRO A 79 3.738 13.317 -15.499 1.00 0.00 C ATOM 1203 CG PRO A 79 2.972 14.532 -15.103 1.00 0.00 C ATOM 1204 CD PRO A 79 2.362 14.219 -13.765 1.00 0.00 C ATOM 0 HA PRO A 79 4.318 11.645 -14.177 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.561 13.569 -16.167 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.105 12.605 -16.028 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.626 15.402 -15.040 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.202 14.765 -15.838 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.290 15.108 -13.138 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.353 13.818 -13.867 1.00 0.00 H new ATOM 1212 N GLU A 80 5.821 13.996 -12.830 1.00 0.00 N ATOM 1213 CA GLU A 80 7.126 14.527 -12.452 1.00 0.00 C ATOM 1214 C GLU A 80 7.898 13.520 -11.604 1.00 0.00 C ATOM 1215 O GLU A 80 9.110 13.644 -11.424 1.00 0.00 O ATOM 1216 CB GLU A 80 6.964 15.840 -11.683 1.00 0.00 C ATOM 1217 CG GLU A 80 6.310 15.671 -10.322 1.00 0.00 C ATOM 1218 CD GLU A 80 5.988 16.998 -9.661 1.00 0.00 C ATOM 1219 OE1 GLU A 80 6.930 17.771 -9.392 1.00 0.00 O ATOM 1220 OE2 GLU A 80 4.793 17.262 -9.414 1.00 0.00 O ATOM 0 H GLU A 80 5.058 14.271 -12.211 1.00 0.00 H new ATOM 0 HA GLU A 80 7.691 14.716 -13.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.944 16.298 -11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.368 16.530 -12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.393 15.093 -10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.972 15.097 -9.673 1.00 0.00 H new ATOM 1227 N TYR A 81 7.188 12.524 -11.087 1.00 0.00 N ATOM 1228 CA TYR A 81 7.805 11.497 -10.255 1.00 0.00 C ATOM 1229 C TYR A 81 7.912 10.176 -11.011 1.00 0.00 C ATOM 1230 O TYR A 81 6.977 9.762 -11.695 1.00 0.00 O ATOM 1231 CB TYR A 81 6.999 11.299 -8.971 1.00 0.00 C ATOM 1232 CG TYR A 81 6.672 12.590 -8.256 1.00 0.00 C ATOM 1233 CD1 TYR A 81 7.666 13.516 -7.963 1.00 0.00 C ATOM 1234 CD2 TYR A 81 5.369 12.884 -7.872 1.00 0.00 C ATOM 1235 CE1 TYR A 81 7.372 14.697 -7.309 1.00 0.00 C ATOM 1236 CE2 TYR A 81 5.066 14.063 -7.220 1.00 0.00 C ATOM 1237 CZ TYR A 81 6.070 14.966 -6.940 1.00 0.00 C ATOM 1238 OH TYR A 81 5.772 16.141 -6.288 1.00 0.00 O ATOM 0 H TYR A 81 6.185 12.405 -11.229 1.00 0.00 H new ATOM 0 HA TYR A 81 8.810 11.830 -9.997 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.070 10.781 -9.211 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.559 10.652 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.686 13.309 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.580 12.178 -8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.157 15.405 -7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.048 14.277 -6.931 1.00 0.00 H new ATOM 0 HH TYR A 81 4.811 16.176 -6.100 1.00 0.00 H new ATOM 1248 N SER A 82 9.060 9.519 -10.881 1.00 0.00 N ATOM 1249 CA SER A 82 9.293 8.246 -11.553 1.00 0.00 C ATOM 1250 C SER A 82 9.789 7.193 -10.567 1.00 0.00 C ATOM 1251 O SER A 82 10.162 7.511 -9.438 1.00 0.00 O ATOM 1252 CB SER A 82 10.308 8.421 -12.684 1.00 0.00 C ATOM 1253 OG SER A 82 9.786 9.237 -13.718 1.00 0.00 O ATOM 0 H SER A 82 9.843 9.847 -10.316 1.00 0.00 H new ATOM 0 HA SER A 82 8.346 7.907 -11.973 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.221 8.867 -12.291 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.578 7.445 -13.088 1.00 0.00 H new ATOM 0 HG SER A 82 10.455 9.334 -14.427 1.00 0.00 H new ATOM 1259 N ALA A 83 9.791 5.938 -11.002 1.00 0.00 N ATOM 1260 CA ALA A 83 10.243 4.837 -10.160 1.00 0.00 C ATOM 1261 C ALA A 83 11.587 5.156 -9.515 1.00 0.00 C ATOM 1262 O ALA A 83 11.879 4.703 -8.408 1.00 0.00 O ATOM 1263 CB ALA A 83 10.336 3.554 -10.972 1.00 0.00 C ATOM 0 H ALA A 83 9.484 5.658 -11.934 1.00 0.00 H new ATOM 0 HA ALA A 83 9.511 4.697 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.675 2.741 -10.330 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.355 3.310 -11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.045 3.691 -11.789 1.00 0.00 H new ATOM 1269 N SER A 84 12.403 5.938 -10.214 1.00 0.00 N ATOM 1270 CA SER A 84 13.719 6.314 -9.712 1.00 0.00 C ATOM 1271 C SER A 84 13.596 7.201 -8.477 1.00 0.00 C ATOM 1272 O SER A 84 14.421 7.133 -7.566 1.00 0.00 O ATOM 1273 CB SER A 84 14.516 7.040 -10.798 1.00 0.00 C ATOM 1274 OG SER A 84 13.829 8.196 -11.247 1.00 0.00 O ATOM 0 H SER A 84 12.176 6.324 -11.130 1.00 0.00 H new ATOM 0 HA SER A 84 14.247 5.402 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.494 7.323 -10.408 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.690 6.367 -11.638 1.00 0.00 H new ATOM 0 HG SER A 84 14.359 8.643 -11.939 1.00 0.00 H new ATOM 1280 N GLN A 85 12.560 8.033 -8.454 1.00 0.00 N ATOM 1281 CA GLN A 85 12.329 8.935 -7.332 1.00 0.00 C ATOM 1282 C GLN A 85 11.905 8.159 -6.089 1.00 0.00 C ATOM 1283 O GLN A 85 12.118 8.608 -4.962 1.00 0.00 O ATOM 1284 CB GLN A 85 11.260 9.968 -7.692 1.00 0.00 C ATOM 1285 CG GLN A 85 11.685 10.925 -8.794 1.00 0.00 C ATOM 1286 CD GLN A 85 12.383 12.159 -8.258 1.00 0.00 C ATOM 1287 OE1 GLN A 85 13.450 12.068 -7.650 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.783 13.322 -8.480 1.00 0.00 N ATOM 0 H GLN A 85 11.867 8.101 -9.200 1.00 0.00 H new ATOM 0 HA GLN A 85 13.264 9.451 -7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.354 9.448 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.007 10.543 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.351 10.406 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.808 11.228 -9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.899 13.351 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.206 14.187 -8.142 1.00 0.00 H new ATOM 1297 N LEU A 86 11.304 6.993 -6.302 1.00 0.00 N ATOM 1298 CA LEU A 86 10.850 6.154 -5.198 1.00 0.00 C ATOM 1299 C LEU A 86 11.999 5.837 -4.246 1.00 0.00 C ATOM 1300 O LEU A 86 13.101 5.498 -4.677 1.00 0.00 O ATOM 1301 CB LEU A 86 10.244 4.856 -5.734 1.00 0.00 C ATOM 1302 CG LEU A 86 8.959 5.002 -6.550 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.428 3.637 -6.959 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.910 5.770 -5.759 1.00 0.00 C ATOM 0 H LEU A 86 11.120 6.607 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 86 10.087 6.704 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.990 4.359 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.042 4.197 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 86 9.188 5.565 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.513 3.761 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.174 3.123 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.215 3.047 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.002 5.865 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.685 5.234 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.291 6.762 -5.518 1.00 0.00 H new ATOM 1316 N LYS A 87 11.734 5.948 -2.949 1.00 0.00 N ATOM 1317 CA LYS A 87 12.743 5.670 -1.934 1.00 0.00 C ATOM 1318 C LYS A 87 13.127 4.194 -1.939 1.00 0.00 C ATOM 1319 O LYS A 87 12.272 3.320 -2.071 1.00 0.00 O ATOM 1320 CB LYS A 87 12.228 6.069 -0.550 1.00 0.00 C ATOM 1321 CG LYS A 87 13.257 5.899 0.554 1.00 0.00 C ATOM 1322 CD LYS A 87 12.821 6.593 1.834 1.00 0.00 C ATOM 1323 CE LYS A 87 13.922 6.569 2.883 1.00 0.00 C ATOM 1324 NZ LYS A 87 13.672 7.554 3.972 1.00 0.00 N ATOM 0 H LYS A 87 10.827 6.229 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 87 13.630 6.259 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.906 7.110 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.349 5.470 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.411 4.838 0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.214 6.305 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.548 7.625 1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.930 6.105 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.996 5.568 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.880 6.786 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.444 7.507 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.626 8.512 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.771 7.332 4.441 1.00 0.00 H new ATOM 1338 N GLY A 88 14.421 3.923 -1.794 1.00 0.00 N ATOM 1339 CA GLY A 88 14.895 2.552 -1.783 1.00 0.00 C ATOM 1340 C GLY A 88 14.584 1.820 -3.073 1.00 0.00 C ATOM 1341 O GLY A 88 14.252 0.635 -3.059 1.00 0.00 O ATOM 0 H GLY A 88 15.149 4.629 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.972 2.545 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.439 2.020 -0.948 1.00 0.00 H new ATOM 1345 N PHE A 89 14.689 2.528 -4.193 1.00 0.00 N ATOM 1346 CA PHE A 89 14.414 1.940 -5.498 1.00 0.00 C ATOM 1347 C PHE A 89 15.647 1.225 -6.044 1.00 0.00 C ATOM 1348 O PHE A 89 15.548 0.131 -6.600 1.00 0.00 O ATOM 1349 CB PHE A 89 13.959 3.020 -6.483 1.00 0.00 C ATOM 1350 CG PHE A 89 13.973 2.569 -7.915 1.00 0.00 C ATOM 1351 CD1 PHE A 89 12.864 1.952 -8.472 1.00 0.00 C ATOM 1352 CD2 PHE A 89 15.094 2.764 -8.706 1.00 0.00 C ATOM 1353 CE1 PHE A 89 12.875 1.536 -9.790 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.111 2.350 -10.024 1.00 0.00 C ATOM 1355 CZ PHE A 89 13.999 1.736 -10.567 1.00 0.00 C ATOM 0 H PHE A 89 14.963 3.510 -4.222 1.00 0.00 H new ATOM 0 HA PHE A 89 13.615 1.208 -5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.950 3.338 -6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.605 3.891 -6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 89 11.982 1.795 -7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.965 3.246 -8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.005 1.055 -10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 89 15.992 2.506 -10.629 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.009 1.413 -11.597 1.00 0.00 H new ATOM 1365 N SER A 90 16.807 1.853 -5.882 1.00 0.00 N ATOM 1366 CA SER A 90 18.059 1.280 -6.361 1.00 0.00 C ATOM 1367 C SER A 90 18.433 0.039 -5.557 1.00 0.00 C ATOM 1368 O SER A 90 19.187 -0.815 -6.024 1.00 0.00 O ATOM 1369 CB SER A 90 19.183 2.314 -6.276 1.00 0.00 C ATOM 1370 OG SER A 90 18.797 3.538 -6.877 1.00 0.00 O ATOM 0 H SER A 90 16.906 2.758 -5.423 1.00 0.00 H new ATOM 0 HA SER A 90 17.921 0.988 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.446 2.485 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 90 20.075 1.928 -6.770 1.00 0.00 H new ATOM 0 HG SER A 90 19.532 4.182 -6.808 1.00 0.00 H new ATOM 1376 N LEU A 91 17.899 -0.054 -4.344 1.00 0.00 N ATOM 1377 CA LEU A 91 18.175 -1.191 -3.472 1.00 0.00 C ATOM 1378 C LEU A 91 17.403 -2.426 -3.926 1.00 0.00 C ATOM 1379 O LEU A 91 17.830 -3.558 -3.694 1.00 0.00 O ATOM 1380 CB LEU A 91 17.809 -0.850 -2.026 1.00 0.00 C ATOM 1381 CG LEU A 91 18.411 0.440 -1.467 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.844 0.740 -0.089 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.929 0.339 -1.412 1.00 0.00 C ATOM 0 H LEU A 91 17.273 0.644 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 91 19.241 -1.411 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.724 -0.782 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 91 18.120 -1.678 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 91 18.145 1.261 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 91 18.284 1.661 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.762 0.856 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 91 18.079 -0.082 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 91 20.341 1.265 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 91 20.215 -0.493 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 91 20.319 0.172 -2.416 1.00 0.00 H new ATOM 1395 N LEU A 92 16.267 -2.201 -4.576 1.00 0.00 N ATOM 1396 CA LEU A 92 15.436 -3.295 -5.066 1.00 0.00 C ATOM 1397 C LEU A 92 16.188 -4.131 -6.096 1.00 0.00 C ATOM 1398 O LEU A 92 17.261 -3.745 -6.559 1.00 0.00 O ATOM 1399 CB LEU A 92 14.147 -2.747 -5.680 1.00 0.00 C ATOM 1400 CG LEU A 92 13.229 -1.971 -4.734 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.145 -1.246 -5.517 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.612 -2.906 -3.704 1.00 0.00 C ATOM 0 H LEU A 92 15.900 -1.271 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 92 15.185 -3.935 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.413 -2.095 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.584 -3.582 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 92 13.827 -1.227 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.502 -0.700 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.606 -0.547 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.549 -1.972 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.962 -2.337 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.029 -3.674 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.403 -3.378 -3.121 1.00 0.00 H new ATOM 1414 N ALA A 93 15.617 -5.277 -6.452 1.00 0.00 N ATOM 1415 CA ALA A 93 16.231 -6.165 -7.431 1.00 0.00 C ATOM 1416 C ALA A 93 15.979 -5.674 -8.852 1.00 0.00 C ATOM 1417 O ALA A 93 14.842 -5.393 -9.232 1.00 0.00 O ATOM 1418 CB ALA A 93 15.706 -7.583 -7.260 1.00 0.00 C ATOM 0 H ALA A 93 14.730 -5.612 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 93 17.307 -6.164 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.173 -8.235 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.943 -7.940 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.625 -7.590 -7.402 1.00 0.00 H new ATOM 1424 N THR A 94 17.048 -5.571 -9.636 1.00 0.00 N ATOM 1425 CA THR A 94 16.943 -5.112 -11.016 1.00 0.00 C ATOM 1426 C THR A 94 15.722 -5.711 -11.703 1.00 0.00 C ATOM 1427 O THR A 94 15.072 -5.055 -12.516 1.00 0.00 O ATOM 1428 CB THR A 94 18.203 -5.473 -11.825 1.00 0.00 C ATOM 1429 OG1 THR A 94 19.361 -4.893 -11.214 1.00 0.00 O ATOM 1430 CG2 THR A 94 18.082 -4.983 -13.261 1.00 0.00 C ATOM 0 H THR A 94 17.997 -5.799 -9.339 1.00 0.00 H new ATOM 0 HA THR A 94 16.841 -4.027 -10.982 1.00 0.00 H new ATOM 0 HB THR A 94 18.303 -6.558 -11.835 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.158 -5.129 -11.734 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.983 -5.249 -13.813 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.217 -5.449 -13.733 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.959 -3.900 -13.267 1.00 0.00 H new ATOM 1438 N GLU A 95 15.415 -6.961 -11.371 1.00 0.00 N ATOM 1439 CA GLU A 95 14.271 -7.648 -11.958 1.00 0.00 C ATOM 1440 C GLU A 95 13.026 -6.766 -11.916 1.00 0.00 C ATOM 1441 O GLU A 95 12.283 -6.677 -12.893 1.00 0.00 O ATOM 1442 CB GLU A 95 14.003 -8.962 -11.220 1.00 0.00 C ATOM 1443 CG GLU A 95 13.423 -8.772 -9.829 1.00 0.00 C ATOM 1444 CD GLU A 95 13.369 -10.064 -9.038 1.00 0.00 C ATOM 1445 OE1 GLU A 95 12.411 -10.841 -9.237 1.00 0.00 O ATOM 1446 OE2 GLU A 95 14.282 -10.299 -8.219 1.00 0.00 O ATOM 0 H GLU A 95 15.942 -7.518 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 95 14.506 -7.866 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.316 -9.567 -11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.935 -9.522 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.024 -8.043 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.418 -8.359 -9.912 1.00 0.00 H new ATOM 1453 N ASP A 96 12.807 -6.117 -10.778 1.00 0.00 N ATOM 1454 CA ASP A 96 11.653 -5.241 -10.607 1.00 0.00 C ATOM 1455 C ASP A 96 11.955 -3.839 -11.126 1.00 0.00 C ATOM 1456 O ASP A 96 11.097 -3.187 -11.722 1.00 0.00 O ATOM 1457 CB ASP A 96 11.248 -5.178 -9.134 1.00 0.00 C ATOM 1458 CG ASP A 96 11.909 -4.028 -8.400 1.00 0.00 C ATOM 1459 OD1 ASP A 96 13.133 -4.102 -8.164 1.00 0.00 O ATOM 1460 OD2 ASP A 96 11.203 -3.055 -8.062 1.00 0.00 O ATOM 0 H ASP A 96 13.413 -6.181 -9.960 1.00 0.00 H new ATOM 0 HA ASP A 96 10.826 -5.652 -11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.165 -5.076 -9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.513 -6.116 -8.647 1.00 0.00 H new ATOM 1465 N LYS A 97 13.179 -3.378 -10.894 1.00 0.00 N ATOM 1466 CA LYS A 97 13.596 -2.053 -11.337 1.00 0.00 C ATOM 1467 C LYS A 97 13.131 -1.786 -12.765 1.00 0.00 C ATOM 1468 O LYS A 97 12.487 -0.774 -13.038 1.00 0.00 O ATOM 1469 CB LYS A 97 15.118 -1.919 -11.251 1.00 0.00 C ATOM 1470 CG LYS A 97 15.661 -2.046 -9.838 1.00 0.00 C ATOM 1471 CD LYS A 97 17.170 -1.871 -9.803 1.00 0.00 C ATOM 1472 CE LYS A 97 17.557 -0.418 -9.569 1.00 0.00 C ATOM 1473 NZ LYS A 97 17.744 0.319 -10.849 1.00 0.00 N ATOM 0 H LYS A 97 13.901 -3.903 -10.401 1.00 0.00 H new ATOM 0 HA LYS A 97 13.135 -1.316 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.578 -2.683 -11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.413 -0.952 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.192 -1.298 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.398 -3.023 -9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.591 -2.493 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.599 -2.216 -10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.785 0.073 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.478 -0.377 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.622 0.875 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.804 -0.360 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.937 0.957 -11.003 1.00 0.00 H new ATOM 1487 N GLU A 98 13.461 -2.701 -13.671 1.00 0.00 N ATOM 1488 CA GLU A 98 13.076 -2.563 -15.071 1.00 0.00 C ATOM 1489 C GLU A 98 11.558 -2.517 -15.215 1.00 0.00 C ATOM 1490 O GLU A 98 11.020 -1.709 -15.972 1.00 0.00 O ATOM 1491 CB GLU A 98 13.644 -3.720 -15.895 1.00 0.00 C ATOM 1492 CG GLU A 98 15.160 -3.713 -15.991 1.00 0.00 C ATOM 1493 CD GLU A 98 15.673 -2.772 -17.065 1.00 0.00 C ATOM 1494 OE1 GLU A 98 15.243 -2.913 -18.229 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.502 -1.897 -16.741 1.00 0.00 O ATOM 0 H GLU A 98 13.994 -3.545 -13.461 1.00 0.00 H new ATOM 0 HA GLU A 98 13.487 -1.625 -15.444 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.321 -4.663 -15.453 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.225 -3.679 -16.900 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.580 -3.422 -15.028 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.512 -4.723 -16.200 1.00 0.00 H new ATOM 1502 N ALA A 99 10.873 -3.392 -14.485 1.00 0.00 N ATOM 1503 CA ALA A 99 9.418 -3.451 -14.530 1.00 0.00 C ATOM 1504 C ALA A 99 8.802 -2.100 -14.182 1.00 0.00 C ATOM 1505 O ALA A 99 7.953 -1.587 -14.911 1.00 0.00 O ATOM 1506 CB ALA A 99 8.904 -4.527 -13.586 1.00 0.00 C ATOM 0 H ALA A 99 11.303 -4.070 -13.856 1.00 0.00 H new ATOM 0 HA ALA A 99 9.121 -3.704 -15.548 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.815 -4.560 -13.630 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.308 -5.495 -13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.219 -4.299 -12.568 1.00 0.00 H new ATOM 1512 N LEU A 100 9.235 -1.529 -13.063 1.00 0.00 N ATOM 1513 CA LEU A 100 8.725 -0.237 -12.616 1.00 0.00 C ATOM 1514 C LEU A 100 9.014 0.848 -13.649 1.00 0.00 C ATOM 1515 O LEU A 100 8.169 1.700 -13.923 1.00 0.00 O ATOM 1516 CB LEU A 100 9.349 0.142 -11.272 1.00 0.00 C ATOM 1517 CG LEU A 100 9.001 -0.764 -10.091 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.845 -0.407 -8.877 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.519 -0.664 -9.760 1.00 0.00 C ATOM 0 H LEU A 100 9.938 -1.940 -12.449 1.00 0.00 H new ATOM 0 HA LEU A 100 7.645 -0.321 -12.497 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.433 0.154 -11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.043 1.159 -11.026 1.00 0.00 H new ATOM 0 HG LEU A 100 9.222 -1.794 -10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.583 -1.062 -8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.901 -0.531 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.657 0.629 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.290 -1.316 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.273 0.366 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.931 -0.970 -10.626 1.00 0.00 H new ATOM 1531 N LYS A 101 10.213 0.809 -14.220 1.00 0.00 N ATOM 1532 CA LYS A 101 10.614 1.787 -15.225 1.00 0.00 C ATOM 1533 C LYS A 101 9.653 1.774 -16.410 1.00 0.00 C ATOM 1534 O LYS A 101 9.352 2.817 -16.990 1.00 0.00 O ATOM 1535 CB LYS A 101 12.037 1.499 -15.707 1.00 0.00 C ATOM 1536 CG LYS A 101 13.113 2.106 -14.822 1.00 0.00 C ATOM 1537 CD LYS A 101 14.424 1.347 -14.938 1.00 0.00 C ATOM 1538 CE LYS A 101 15.619 2.261 -14.713 1.00 0.00 C ATOM 1539 NZ LYS A 101 15.801 2.590 -13.272 1.00 0.00 N ATOM 0 H LYS A 101 10.924 0.111 -14.004 1.00 0.00 H new ATOM 0 HA LYS A 101 10.585 2.775 -14.766 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.184 0.420 -15.755 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.153 1.882 -16.721 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.269 3.148 -15.100 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.778 2.100 -13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.442 0.537 -14.209 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.495 0.890 -15.925 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.521 1.780 -15.093 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.485 3.181 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.215 3.540 -13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.879 2.567 -12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.437 1.893 -12.834 1.00 0.00 H new ATOM 1553 N LYS A 102 9.173 0.586 -16.764 1.00 0.00 N ATOM 1554 CA LYS A 102 8.244 0.437 -17.877 1.00 0.00 C ATOM 1555 C LYS A 102 6.830 0.836 -17.464 1.00 0.00 C ATOM 1556 O LYS A 102 6.163 1.600 -18.161 1.00 0.00 O ATOM 1557 CB LYS A 102 8.250 -1.007 -18.384 1.00 0.00 C ATOM 1558 CG LYS A 102 9.562 -1.420 -19.028 1.00 0.00 C ATOM 1559 CD LYS A 102 9.485 -2.826 -19.599 1.00 0.00 C ATOM 1560 CE LYS A 102 9.006 -2.816 -21.042 1.00 0.00 C ATOM 1561 NZ LYS A 102 7.521 -2.755 -21.133 1.00 0.00 N ATOM 0 H LYS A 102 9.413 -0.288 -16.295 1.00 0.00 H new ATOM 0 HA LYS A 102 8.570 1.099 -18.680 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.037 -1.677 -17.551 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.444 -1.133 -19.107 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.816 -0.717 -19.822 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.362 -1.369 -18.290 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.467 -3.297 -19.544 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.808 -3.429 -18.994 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.437 -1.960 -21.562 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.365 -3.711 -21.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.207 -3.224 -22.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.103 -3.237 -20.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.214 -1.761 -21.144 1.00 0.00 H new ATOM 1575 N GLN A 103 6.382 0.314 -16.327 1.00 0.00 N ATOM 1576 CA GLN A 103 5.048 0.617 -15.822 1.00 0.00 C ATOM 1577 C GLN A 103 4.869 2.118 -15.624 1.00 0.00 C ATOM 1578 O GLN A 103 3.875 2.699 -16.063 1.00 0.00 O ATOM 1579 CB GLN A 103 4.801 -0.117 -14.502 1.00 0.00 C ATOM 1580 CG GLN A 103 4.215 -1.508 -14.680 1.00 0.00 C ATOM 1581 CD GLN A 103 3.424 -1.967 -13.471 1.00 0.00 C ATOM 1582 OE1 GLN A 103 2.227 -2.242 -13.566 1.00 0.00 O ATOM 1583 NE2 GLN A 103 4.089 -2.051 -12.325 1.00 0.00 N ATOM 0 H GLN A 103 6.922 -0.320 -15.739 1.00 0.00 H new ATOM 0 HA GLN A 103 4.321 0.278 -16.560 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.742 -0.195 -13.958 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.125 0.477 -13.887 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.568 -1.516 -15.557 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.021 -2.216 -14.872 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.080 -1.813 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.609 -2.353 -11.478 1.00 0.00 H new ATOM 1592 N LEU A 104 5.836 2.742 -14.961 1.00 0.00 N ATOM 1593 CA LEU A 104 5.786 4.177 -14.704 1.00 0.00 C ATOM 1594 C LEU A 104 6.865 4.910 -15.495 1.00 0.00 C ATOM 1595 O LEU A 104 7.956 5.186 -14.995 1.00 0.00 O ATOM 1596 CB LEU A 104 5.956 4.454 -13.209 1.00 0.00 C ATOM 1597 CG LEU A 104 5.031 3.675 -12.273 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.659 3.539 -10.894 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.673 4.355 -12.177 1.00 0.00 C ATOM 0 H LEU A 104 6.665 2.276 -14.591 1.00 0.00 H new ATOM 0 HA LEU A 104 4.812 4.545 -15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.988 4.234 -12.934 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.801 5.519 -13.037 1.00 0.00 H new ATOM 0 HG LEU A 104 4.887 2.676 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.987 2.982 -10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.607 3.008 -10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.834 4.530 -10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.028 3.787 -11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.799 5.366 -11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.218 4.400 -13.166 1.00 0.00 H new ATOM 1611 N PRO A 105 6.554 5.236 -16.758 1.00 0.00 N ATOM 1612 CA PRO A 105 7.483 5.944 -17.644 1.00 0.00 C ATOM 1613 C PRO A 105 7.699 7.393 -17.220 1.00 0.00 C ATOM 1614 O PRO A 105 8.507 8.109 -17.809 1.00 0.00 O ATOM 1615 CB PRO A 105 6.789 5.884 -19.007 1.00 0.00 C ATOM 1616 CG PRO A 105 5.341 5.742 -18.689 1.00 0.00 C ATOM 1617 CD PRO A 105 5.273 4.939 -17.419 1.00 0.00 C ATOM 0 HA PRO A 105 8.476 5.495 -17.635 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.980 6.786 -19.588 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.149 5.042 -19.598 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.872 6.718 -18.560 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.811 5.239 -19.498 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.425 5.234 -16.802 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.163 3.874 -17.623 1.00 0.00 H new ATOM 1625 N GLY A 106 6.969 7.819 -16.192 1.00 0.00 N ATOM 1626 CA GLY A 106 7.096 9.180 -15.707 1.00 0.00 C ATOM 1627 C GLY A 106 6.223 10.153 -16.475 1.00 0.00 C ATOM 1628 O GLY A 106 5.017 10.235 -16.240 1.00 0.00 O ATOM 0 H GLY A 106 6.293 7.245 -15.688 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.829 9.212 -14.651 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.137 9.494 -15.782 1.00 0.00 H new