USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 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 23 LYS NZ :NH3+ 173:sc= 0.13 (180deg=0.0771) USER MOD Set 1.2: A 39 TYR OH : rot 52:sc= 1.13 USER MOD Set 2.1: A 16 SER OG : rot 179:sc= -0.763 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 172:sc= 0.0128 (180deg=0) USER MOD Single : A 13 TYR OH : rot -96:sc= 1.29 USER MOD Single : A 21 MET CE :methyl -161:sc= -0.248 (180deg=-1.06) USER MOD Single : A 26 SER OG : rot -18:sc= 1.08 USER MOD Single : A 27 CYS SG : rot -94:sc= -4.99! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -15:sc= 0.512 USER MOD Single : A 40 TYR OH : rot 142:sc= 1.09 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 155:sc= 1.28 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0.86 (180deg=0.822) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 13.137 -1.398 -1.753 1.00 0.00 N ATOM 207 CA TYR A 13 12.341 -1.534 -2.966 1.00 0.00 C ATOM 208 C TYR A 13 11.605 -2.895 -3.014 1.00 0.00 C ATOM 209 O TYR A 13 10.565 -3.021 -3.663 1.00 0.00 O ATOM 210 CB TYR A 13 13.290 -1.215 -4.136 1.00 0.00 C ATOM 211 CG TYR A 13 13.490 0.279 -4.400 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.253 1.232 -3.386 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.896 0.741 -5.667 1.00 0.00 C ATOM 214 CE1 TYR A 13 13.397 2.602 -3.611 1.00 0.00 C ATOM 215 CE2 TYR A 13 14.054 2.124 -5.898 1.00 0.00 C ATOM 216 CZ TYR A 13 13.799 3.056 -4.874 1.00 0.00 C ATOM 217 OH TYR A 13 13.944 4.388 -5.101 1.00 0.00 O ATOM 0 HA TYR A 13 11.508 -0.833 -3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.260 -1.669 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.901 -1.682 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.951 0.891 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 13 14.087 0.036 -6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.200 3.307 -2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.374 2.471 -6.870 1.00 0.00 H new ATOM 0 HH TYR A 13 13.129 4.740 -5.515 1.00 0.00 H new ATOM 227 N GLU A 14 12.066 -3.874 -2.212 1.00 0.00 N ATOM 228 CA GLU A 14 11.297 -5.046 -1.725 1.00 0.00 C ATOM 229 C GLU A 14 10.321 -4.728 -0.576 1.00 0.00 C ATOM 230 O GLU A 14 9.210 -5.250 -0.560 1.00 0.00 O ATOM 231 CB GLU A 14 12.278 -6.135 -1.260 1.00 0.00 C ATOM 232 CG GLU A 14 11.600 -7.460 -0.911 1.00 0.00 C ATOM 233 CD GLU A 14 12.657 -8.514 -0.603 1.00 0.00 C ATOM 234 OE1 GLU A 14 13.079 -8.610 0.571 1.00 0.00 O ATOM 235 OE2 GLU A 14 13.046 -9.258 -1.530 1.00 0.00 O ATOM 0 H GLU A 14 13.026 -3.874 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 14 10.688 -5.382 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.014 -6.309 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.822 -5.774 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.943 -7.328 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.975 -7.790 -1.741 1.00 0.00 H new ATOM 242 N ALA A 15 10.710 -3.840 0.344 1.00 0.00 N ATOM 243 CA ALA A 15 9.933 -3.416 1.535 1.00 0.00 C ATOM 244 C ALA A 15 8.542 -2.878 1.196 1.00 0.00 C ATOM 245 O ALA A 15 7.560 -3.041 1.921 1.00 0.00 O ATOM 246 CB ALA A 15 10.645 -2.234 2.204 1.00 0.00 C ATOM 0 H ALA A 15 11.614 -3.371 0.285 1.00 0.00 H new ATOM 0 HA ALA A 15 9.850 -4.305 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.079 -1.917 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.646 -2.538 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.716 -1.406 1.499 1.00 0.00 H new ATOM 252 N SER A 16 8.516 -2.187 0.065 1.00 0.00 N ATOM 253 CA SER A 16 7.487 -1.269 -0.392 1.00 0.00 C ATOM 254 C SER A 16 6.091 -1.918 -0.524 1.00 0.00 C ATOM 255 O SER A 16 5.059 -1.291 -0.299 1.00 0.00 O ATOM 256 CB SER A 16 8.003 -0.846 -1.773 1.00 0.00 C ATOM 257 OG SER A 16 8.857 0.275 -1.700 1.00 0.00 O ATOM 0 H SER A 16 9.277 -2.262 -0.610 1.00 0.00 H new ATOM 0 HA SER A 16 7.338 -0.452 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.537 -1.679 -2.231 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.157 -0.615 -2.421 1.00 0.00 H new ATOM 0 HG SER A 16 9.178 0.501 -2.598 1.00 0.00 H new ATOM 263 N ILE A 17 6.090 -3.198 -0.878 1.00 0.00 N ATOM 264 CA ILE A 17 5.007 -3.954 -1.539 1.00 0.00 C ATOM 265 C ILE A 17 4.801 -5.323 -0.834 1.00 0.00 C ATOM 266 O ILE A 17 4.036 -6.188 -1.272 1.00 0.00 O ATOM 267 CB ILE A 17 5.417 -3.980 -3.049 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.736 -2.898 -3.933 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.298 -5.325 -3.782 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.271 -1.578 -3.288 1.00 0.00 C ATOM 0 H ILE A 17 6.903 -3.788 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 17 4.014 -3.510 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 17 6.478 -3.758 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.431 -2.644 -4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.866 -3.358 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.613 -5.204 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.934 -6.063 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.262 -5.664 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.819 -0.941 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.537 -1.792 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.127 -1.067 -2.848 1.00 0.00 H new ATOM 282 N ASP A 18 5.451 -5.499 0.325 1.00 0.00 N ATOM 283 CA ASP A 18 5.479 -6.734 1.140 1.00 0.00 C ATOM 284 C ASP A 18 4.240 -6.924 2.036 1.00 0.00 C ATOM 285 O ASP A 18 3.933 -8.053 2.427 1.00 0.00 O ATOM 286 CB ASP A 18 6.763 -6.734 1.991 1.00 0.00 C ATOM 287 CG ASP A 18 7.007 -8.070 2.728 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.275 -9.102 2.059 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.959 -8.080 3.982 1.00 0.00 O ATOM 0 H ASP A 18 6.001 -4.750 0.745 1.00 0.00 H new ATOM 0 HA ASP A 18 5.467 -7.577 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.617 -6.520 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.706 -5.928 2.723 1.00 0.00 H new ATOM 294 N GLU A 19 3.523 -5.832 2.336 1.00 0.00 N ATOM 295 CA GLU A 19 2.339 -5.821 3.234 1.00 0.00 C ATOM 296 C GLU A 19 1.144 -5.080 2.632 1.00 0.00 C ATOM 297 O GLU A 19 0.100 -5.692 2.438 1.00 0.00 O ATOM 298 CB GLU A 19 2.669 -5.239 4.619 1.00 0.00 C ATOM 299 CG GLU A 19 3.709 -6.074 5.366 1.00 0.00 C ATOM 300 CD GLU A 19 3.923 -5.520 6.765 1.00 0.00 C ATOM 301 OE1 GLU A 19 4.782 -4.627 6.935 1.00 0.00 O ATOM 302 OE2 GLU A 19 3.238 -5.989 7.701 1.00 0.00 O ATOM 0 H GLU A 19 3.746 -4.911 1.959 1.00 0.00 H new ATOM 0 HA GLU A 19 2.058 -6.867 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.039 -4.220 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.757 -5.182 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.379 -7.111 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.651 -6.070 4.818 1.00 0.00 H new ATOM 309 N PHE A 20 1.289 -3.798 2.276 1.00 0.00 N ATOM 310 CA PHE A 20 0.181 -2.965 1.762 1.00 0.00 C ATOM 311 C PHE A 20 -0.476 -3.550 0.520 1.00 0.00 C ATOM 312 O PHE A 20 -1.688 -3.602 0.439 1.00 0.00 O ATOM 313 CB PHE A 20 0.674 -1.588 1.324 1.00 0.00 C ATOM 314 CG PHE A 20 1.155 -0.650 2.401 1.00 0.00 C ATOM 315 CD1 PHE A 20 2.449 -0.780 2.917 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.338 0.420 2.797 1.00 0.00 C ATOM 317 CE1 PHE A 20 2.923 0.143 3.851 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.811 1.355 3.727 1.00 0.00 C ATOM 319 CZ PHE A 20 2.104 1.211 4.266 1.00 0.00 C ATOM 0 H PHE A 20 2.178 -3.302 2.334 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.523 -2.915 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.488 -1.732 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.136 -1.096 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.081 -1.594 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.655 0.523 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.919 0.038 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.187 2.183 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.467 1.919 4.997 1.00 0.00 H new ATOM 329 N MET A 21 0.288 -4.031 -0.441 1.00 0.00 N ATOM 330 CA MET A 21 -0.248 -4.580 -1.709 1.00 0.00 C ATOM 331 C MET A 21 -1.206 -5.744 -1.471 1.00 0.00 C ATOM 332 O MET A 21 -2.208 -5.896 -2.163 1.00 0.00 O ATOM 333 CB MET A 21 0.894 -5.116 -2.572 1.00 0.00 C ATOM 334 CG MET A 21 1.419 -4.074 -3.549 1.00 0.00 C ATOM 335 SD MET A 21 0.326 -3.519 -4.892 1.00 0.00 S ATOM 336 CE MET A 21 -0.650 -4.986 -5.332 1.00 0.00 C ATOM 0 H MET A 21 1.306 -4.060 -0.381 1.00 0.00 H new ATOM 0 HA MET A 21 -0.777 -3.763 -2.200 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.708 -5.449 -1.928 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.549 -5.989 -3.126 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.709 -3.195 -2.973 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.327 -4.472 -4.003 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.080 -4.853 -6.325 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.006 -5.865 -5.330 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.451 -5.121 -4.605 1.00 0.00 H new ATOM 346 N GLY A 22 -0.935 -6.523 -0.432 1.00 0.00 N ATOM 347 CA GLY A 22 -1.815 -7.552 0.091 1.00 0.00 C ATOM 348 C GLY A 22 -2.996 -6.950 0.828 1.00 0.00 C ATOM 349 O GLY A 22 -4.093 -7.476 0.738 1.00 0.00 O ATOM 0 H GLY A 22 -0.061 -6.450 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.175 -8.175 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.257 -8.202 0.765 1.00 0.00 H new ATOM 353 N LYS A 23 -2.791 -5.874 1.587 1.00 0.00 N ATOM 354 CA LYS A 23 -3.779 -5.255 2.429 1.00 0.00 C ATOM 355 C LYS A 23 -4.857 -4.632 1.535 1.00 0.00 C ATOM 356 O LYS A 23 -6.046 -4.811 1.773 1.00 0.00 O ATOM 357 CB LYS A 23 -3.066 -4.403 3.477 1.00 0.00 C ATOM 358 CG LYS A 23 -3.141 -2.915 3.278 1.00 0.00 C ATOM 359 CD LYS A 23 -2.356 -2.210 4.397 1.00 0.00 C ATOM 360 CE LYS A 23 -3.150 -2.246 5.706 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.292 -2.120 6.907 1.00 0.00 N ATOM 0 H LYS A 23 -1.889 -5.400 1.624 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.357 -5.940 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.484 -4.640 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.016 -4.694 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.730 -2.646 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.181 -2.588 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.391 -2.697 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.154 -1.177 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.882 -1.438 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.707 -3.181 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.890 -2.032 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.691 -2.964 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.692 -1.275 6.818 1.00 0.00 H new ATOM 375 N ILE A 24 -4.430 -3.960 0.458 1.00 0.00 N ATOM 376 CA ILE A 24 -5.303 -3.495 -0.604 1.00 0.00 C ATOM 377 C ILE A 24 -5.894 -4.605 -1.480 1.00 0.00 C ATOM 378 O ILE A 24 -7.082 -4.570 -1.783 1.00 0.00 O ATOM 379 CB ILE A 24 -4.632 -2.429 -1.467 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.138 -2.427 -1.779 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.917 -1.077 -0.831 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.827 -2.038 -3.184 1.00 0.00 C ATOM 0 H ILE A 24 -3.449 -3.725 0.307 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.149 -3.048 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.070 -2.668 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.633 -1.740 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.733 -3.421 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.451 -0.290 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.994 -0.913 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.511 -1.058 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.748 -2.058 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.303 -2.739 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.202 -1.033 -3.375 1.00 0.00 H new ATOM 394 N ALA A 25 -5.112 -5.617 -1.856 1.00 0.00 N ATOM 395 CA ALA A 25 -5.666 -6.768 -2.593 1.00 0.00 C ATOM 396 C ALA A 25 -6.703 -7.553 -1.758 1.00 0.00 C ATOM 397 O ALA A 25 -7.606 -8.188 -2.304 1.00 0.00 O ATOM 398 CB ALA A 25 -4.552 -7.695 -3.084 1.00 0.00 C ATOM 0 H ALA A 25 -4.111 -5.670 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.188 -6.366 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.989 -8.535 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.886 -7.144 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.986 -8.068 -2.230 1.00 0.00 H new ATOM 404 N SER A 26 -6.620 -7.424 -0.428 1.00 0.00 N ATOM 405 CA SER A 26 -7.511 -8.021 0.567 1.00 0.00 C ATOM 406 C SER A 26 -8.539 -7.024 1.132 1.00 0.00 C ATOM 407 O SER A 26 -9.182 -7.295 2.152 1.00 0.00 O ATOM 408 CB SER A 26 -6.678 -8.644 1.704 1.00 0.00 C ATOM 409 OG SER A 26 -7.500 -9.172 2.724 1.00 0.00 O ATOM 0 H SER A 26 -5.884 -6.866 0.005 1.00 0.00 H new ATOM 0 HA SER A 26 -8.085 -8.797 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.045 -9.435 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.015 -7.889 2.125 1.00 0.00 H new ATOM 0 HG SER A 26 -8.401 -8.793 2.647 1.00 0.00 H new ATOM 415 N CYS A 27 -8.707 -5.846 0.533 1.00 0.00 N ATOM 416 CA CYS A 27 -9.375 -4.756 1.222 1.00 0.00 C ATOM 417 C CYS A 27 -10.888 -5.018 1.387 1.00 0.00 C ATOM 418 O CYS A 27 -11.550 -4.389 2.210 1.00 0.00 O ATOM 419 CB CYS A 27 -9.129 -3.474 0.462 1.00 0.00 C ATOM 420 SG CYS A 27 -9.986 -3.481 -1.099 1.00 0.00 S ATOM 0 H CYS A 27 -8.394 -5.629 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.963 -4.673 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.461 -2.624 1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.060 -3.347 0.293 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.189 -3.916 -2.030 1.00 0.00 H new ATOM 426 N GLN A 28 -11.422 -5.951 0.571 1.00 0.00 N ATOM 427 CA GLN A 28 -12.739 -6.637 0.577 1.00 0.00 C ATOM 428 C GLN A 28 -13.994 -5.745 0.540 1.00 0.00 C ATOM 429 O GLN A 28 -15.126 -6.218 0.469 1.00 0.00 O ATOM 430 CB GLN A 28 -12.775 -7.723 1.661 1.00 0.00 C ATOM 431 CG GLN A 28 -12.636 -7.085 3.036 1.00 0.00 C ATOM 432 CD GLN A 28 -12.998 -7.995 4.174 1.00 0.00 C ATOM 433 OE1 GLN A 28 -14.162 -8.208 4.491 1.00 0.00 O ATOM 434 NE2 GLN A 28 -12.002 -8.522 4.849 1.00 0.00 N ATOM 0 H GLN A 28 -10.866 -6.288 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.809 -7.117 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.711 -8.279 1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.969 -8.438 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.607 -6.749 3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.268 -6.198 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.040 -8.333 4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.191 -9.121 5.653 1.00 0.00 H new ATOM 443 N THR A 29 -13.771 -4.440 0.573 1.00 0.00 N ATOM 444 CA THR A 29 -14.732 -3.342 0.661 1.00 0.00 C ATOM 445 C THR A 29 -14.067 -2.144 0.033 1.00 0.00 C ATOM 446 O THR A 29 -12.865 -1.950 0.219 1.00 0.00 O ATOM 447 CB THR A 29 -15.023 -2.989 2.134 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.852 -2.928 2.935 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.989 -3.954 2.818 1.00 0.00 C ATOM 0 H THR A 29 -12.816 -4.084 0.535 1.00 0.00 H new ATOM 0 HA THR A 29 -15.665 -3.621 0.171 1.00 0.00 H new ATOM 0 HB THR A 29 -15.482 -2.003 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.110 -3.359 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.145 -3.642 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.942 -3.950 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.570 -4.960 2.803 1.00 0.00 H new ATOM 457 N LEU A 30 -14.812 -1.313 -0.695 1.00 0.00 N ATOM 458 CA LEU A 30 -14.202 -0.078 -1.159 1.00 0.00 C ATOM 459 C LEU A 30 -14.016 0.864 0.009 1.00 0.00 C ATOM 460 O LEU A 30 -13.076 1.620 0.107 1.00 0.00 O ATOM 461 CB LEU A 30 -15.061 0.659 -2.162 1.00 0.00 C ATOM 462 CG LEU A 30 -14.065 1.646 -2.806 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.623 1.278 -4.159 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.609 3.013 -2.787 1.00 0.00 C ATOM 0 H LEU A 30 -15.785 -1.462 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.259 -0.362 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.493 -0.018 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.890 1.178 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.167 1.597 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.926 2.029 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.129 0.307 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.487 1.225 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.893 3.696 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.545 3.040 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.792 3.317 -1.757 1.00 0.00 H new ATOM 476 N GLU A 31 -14.966 0.791 0.904 1.00 0.00 N ATOM 477 CA GLU A 31 -15.093 1.612 2.065 1.00 0.00 C ATOM 478 C GLU A 31 -13.913 1.414 2.995 1.00 0.00 C ATOM 479 O GLU A 31 -13.426 2.364 3.587 1.00 0.00 O ATOM 480 CB GLU A 31 -16.417 1.148 2.670 1.00 0.00 C ATOM 481 CG GLU A 31 -16.969 2.197 3.572 1.00 0.00 C ATOM 482 CD GLU A 31 -18.124 1.661 4.398 1.00 0.00 C ATOM 483 OE1 GLU A 31 -19.253 1.571 3.865 1.00 0.00 O ATOM 484 OE2 GLU A 31 -17.892 1.334 5.586 1.00 0.00 O ATOM 0 H GLU A 31 -15.719 0.108 0.830 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.094 2.682 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.131 0.929 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.266 0.223 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.183 2.561 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.306 3.048 2.980 1.00 0.00 H new ATOM 491 N GLY A 32 -13.422 0.180 3.043 1.00 0.00 N ATOM 492 CA GLY A 32 -12.107 -0.148 3.581 1.00 0.00 C ATOM 493 C GLY A 32 -10.922 0.244 2.741 1.00 0.00 C ATOM 494 O GLY A 32 -9.983 0.805 3.273 1.00 0.00 O ATOM 0 H GLY A 32 -13.935 -0.633 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.008 0.330 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.066 -1.224 3.749 1.00 0.00 H new ATOM 498 N LEU A 33 -10.951 0.060 1.436 1.00 0.00 N ATOM 499 CA LEU A 33 -9.875 0.465 0.526 1.00 0.00 C ATOM 500 C LEU A 33 -9.564 1.953 0.565 1.00 0.00 C ATOM 501 O LEU A 33 -8.426 2.363 0.562 1.00 0.00 O ATOM 502 CB LEU A 33 -10.396 0.105 -0.867 1.00 0.00 C ATOM 503 CG LEU A 33 -9.464 0.470 -2.023 1.00 0.00 C ATOM 504 CD1 LEU A 33 -8.012 0.136 -1.804 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.880 -0.321 -3.225 1.00 0.00 C ATOM 0 H LEU A 33 -11.736 -0.384 0.959 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.947 -0.033 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.588 -0.968 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.353 0.605 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.548 1.551 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.434 0.433 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.644 0.670 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.905 -0.937 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.229 -0.077 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.804 -1.386 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.910 -0.076 -3.483 1.00 0.00 H new ATOM 517 N GLU A 34 -10.609 2.737 0.625 1.00 0.00 N ATOM 518 CA GLU A 34 -10.685 4.167 0.909 1.00 0.00 C ATOM 519 C GLU A 34 -10.163 4.564 2.298 1.00 0.00 C ATOM 520 O GLU A 34 -9.593 5.640 2.473 1.00 0.00 O ATOM 521 CB GLU A 34 -12.157 4.534 0.859 1.00 0.00 C ATOM 522 CG GLU A 34 -12.658 4.712 -0.568 1.00 0.00 C ATOM 523 CD GLU A 34 -12.201 5.990 -1.263 1.00 0.00 C ATOM 524 OE1 GLU A 34 -11.570 6.879 -0.653 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.499 6.123 -2.471 1.00 0.00 O ATOM 0 H GLU A 34 -11.540 2.355 0.458 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.062 4.684 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.740 3.757 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.319 5.456 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.329 3.858 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.748 4.693 -0.558 1.00 0.00 H new ATOM 532 N GLU A 35 -10.347 3.686 3.294 1.00 0.00 N ATOM 533 CA GLU A 35 -9.725 3.807 4.640 1.00 0.00 C ATOM 534 C GLU A 35 -8.246 3.458 4.604 1.00 0.00 C ATOM 535 O GLU A 35 -7.458 4.185 5.197 1.00 0.00 O ATOM 536 CB GLU A 35 -10.362 2.922 5.726 1.00 0.00 C ATOM 537 CG GLU A 35 -11.793 3.317 6.061 1.00 0.00 C ATOM 538 CD GLU A 35 -11.834 4.229 7.277 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.882 3.707 8.413 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.834 5.467 7.101 1.00 0.00 O ATOM 0 H GLU A 35 -10.937 2.859 3.197 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.891 4.852 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.347 1.884 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.756 2.976 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.244 3.822 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.386 2.423 6.252 1.00 0.00 H new ATOM 547 N LEU A 36 -7.865 2.440 3.831 1.00 0.00 N ATOM 548 CA LEU A 36 -6.489 2.102 3.456 1.00 0.00 C ATOM 549 C LEU A 36 -5.886 3.272 2.663 1.00 0.00 C ATOM 550 O LEU A 36 -4.720 3.605 2.843 1.00 0.00 O ATOM 551 CB LEU A 36 -6.338 0.799 2.626 1.00 0.00 C ATOM 552 CG LEU A 36 -6.952 -0.471 3.196 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.856 -1.614 2.199 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.213 -0.852 4.442 1.00 0.00 C ATOM 0 H LEU A 36 -8.543 1.794 3.428 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.960 1.922 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.777 0.973 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.274 0.619 2.473 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.003 -0.283 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.302 -2.511 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.389 -1.346 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.809 -1.806 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.646 -1.762 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.164 -1.026 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.291 -0.046 5.172 1.00 0.00 H new ATOM 566 N GLU A 37 -6.673 3.939 1.819 1.00 0.00 N ATOM 567 CA GLU A 37 -6.237 5.046 0.999 1.00 0.00 C ATOM 568 C GLU A 37 -5.903 6.252 1.831 1.00 0.00 C ATOM 569 O GLU A 37 -4.845 6.857 1.683 1.00 0.00 O ATOM 570 CB GLU A 37 -7.304 5.475 -0.008 1.00 0.00 C ATOM 571 CG GLU A 37 -6.714 6.149 -1.237 1.00 0.00 C ATOM 572 CD GLU A 37 -6.505 7.655 -1.128 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.273 8.352 -0.424 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.597 8.139 -1.836 1.00 0.00 O ATOM 0 H GLU A 37 -7.659 3.710 1.691 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.353 4.685 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.877 4.601 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.001 6.158 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.754 5.683 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.368 5.952 -2.086 1.00 0.00 H new ATOM 581 N ALA A 38 -6.803 6.540 2.764 1.00 0.00 N ATOM 582 CA ALA A 38 -6.540 7.543 3.755 1.00 0.00 C ATOM 583 C ALA A 38 -5.329 7.133 4.610 1.00 0.00 C ATOM 584 O ALA A 38 -4.383 7.897 4.723 1.00 0.00 O ATOM 585 CB ALA A 38 -7.794 7.782 4.599 1.00 0.00 C ATOM 0 H ALA A 38 -7.714 6.088 2.844 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.289 8.486 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.587 8.545 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.607 8.117 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.082 6.854 5.094 1.00 0.00 H new ATOM 591 N TYR A 39 -5.275 5.908 5.129 1.00 0.00 N ATOM 592 CA TYR A 39 -4.198 5.461 6.018 1.00 0.00 C ATOM 593 C TYR A 39 -2.815 5.468 5.314 1.00 0.00 C ATOM 594 O TYR A 39 -1.807 5.826 5.932 1.00 0.00 O ATOM 595 CB TYR A 39 -4.533 4.085 6.622 1.00 0.00 C ATOM 596 CG TYR A 39 -3.389 3.092 6.670 1.00 0.00 C ATOM 597 CD1 TYR A 39 -3.146 2.320 5.527 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.560 2.963 7.798 1.00 0.00 C ATOM 599 CE1 TYR A 39 -2.060 1.449 5.478 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.485 2.056 7.770 1.00 0.00 C ATOM 601 CZ TYR A 39 -1.233 1.304 6.606 1.00 0.00 C ATOM 602 OH TYR A 39 -0.217 0.397 6.584 1.00 0.00 O ATOM 0 H TYR A 39 -5.979 5.193 4.946 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.123 6.177 6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.903 4.234 7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.348 3.645 6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.806 2.401 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.747 3.557 8.681 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.854 0.888 4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.855 1.937 8.639 1.00 0.00 H new ATOM 0 HH TYR A 39 0.335 0.543 5.787 1.00 0.00 H new ATOM 612 N TYR A 40 -2.779 5.192 4.003 1.00 0.00 N ATOM 613 CA TYR A 40 -1.625 5.408 3.133 1.00 0.00 C ATOM 614 C TYR A 40 -1.245 6.894 3.143 1.00 0.00 C ATOM 615 O TYR A 40 -0.152 7.261 3.580 1.00 0.00 O ATOM 616 CB TYR A 40 -2.003 4.992 1.703 1.00 0.00 C ATOM 617 CG TYR A 40 -0.917 5.297 0.704 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.292 4.583 0.756 1.00 0.00 C ATOM 619 CD2 TYR A 40 -1.069 6.365 -0.198 1.00 0.00 C ATOM 620 CE1 TYR A 40 1.349 4.945 -0.086 1.00 0.00 C ATOM 621 CE2 TYR A 40 -0.012 6.728 -1.037 1.00 0.00 C ATOM 622 CZ TYR A 40 1.196 6.023 -0.968 1.00 0.00 C ATOM 623 OH TYR A 40 2.244 6.431 -1.719 1.00 0.00 O ATOM 0 H TYR A 40 -3.580 4.800 3.508 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.779 4.818 3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.219 3.924 1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.917 5.507 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.405 3.758 1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.003 6.905 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.279 4.396 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.126 7.546 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 40 1.928 6.684 -2.612 1.00 0.00 H new ATOM 633 N LYS A 41 -2.186 7.781 2.805 1.00 0.00 N ATOM 634 CA LYS A 41 -1.934 9.226 2.749 1.00 0.00 C ATOM 635 C LYS A 41 -1.482 9.815 4.099 1.00 0.00 C ATOM 636 O LYS A 41 -0.616 10.684 4.126 1.00 0.00 O ATOM 637 CB LYS A 41 -3.184 9.946 2.272 1.00 0.00 C ATOM 638 CG LYS A 41 -3.566 9.505 0.857 1.00 0.00 C ATOM 639 CD LYS A 41 -3.204 10.529 -0.223 1.00 0.00 C ATOM 640 CE LYS A 41 -1.737 10.373 -0.616 1.00 0.00 C ATOM 641 NZ LYS A 41 -1.129 11.650 -1.062 1.00 0.00 N ATOM 0 H LYS A 41 -3.142 7.519 2.563 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.114 9.376 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.008 9.742 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.016 11.023 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.068 8.562 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.639 9.316 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.840 10.389 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.385 11.539 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.176 9.985 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.655 9.637 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.134 11.490 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.645 12.010 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.181 12.347 -0.292 1.00 0.00 H new ATOM 655 N LYS A 42 -2.044 9.325 5.202 1.00 0.00 N ATOM 656 CA LYS A 42 -1.829 9.693 6.588 1.00 0.00 C ATOM 657 C LYS A 42 -0.405 9.362 7.068 1.00 0.00 C ATOM 658 O LYS A 42 0.235 10.165 7.745 1.00 0.00 O ATOM 659 CB LYS A 42 -2.896 8.881 7.343 1.00 0.00 C ATOM 660 CG LYS A 42 -4.321 9.433 7.245 1.00 0.00 C ATOM 661 CD LYS A 42 -4.606 10.661 8.106 1.00 0.00 C ATOM 662 CE LYS A 42 -5.991 11.152 7.665 1.00 0.00 C ATOM 663 NZ LYS A 42 -6.258 12.539 8.106 1.00 0.00 N ATOM 0 H LYS A 42 -2.736 8.579 5.131 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.919 10.767 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.891 7.860 6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.614 8.829 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.525 9.684 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.019 8.644 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.597 10.409 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.849 11.431 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.065 11.097 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.756 10.490 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.204 12.829 7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.213 12.588 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.544 13.176 7.698 1.00 0.00 H new ATOM 677 N ARG A 43 0.111 8.191 6.693 1.00 0.00 N ATOM 678 CA ARG A 43 1.490 7.778 6.943 1.00 0.00 C ATOM 679 C ARG A 43 2.562 8.519 6.135 1.00 0.00 C ATOM 680 O ARG A 43 3.604 8.879 6.668 1.00 0.00 O ATOM 681 CB ARG A 43 1.560 6.263 6.708 1.00 0.00 C ATOM 682 CG ARG A 43 2.992 5.749 6.860 1.00 0.00 C ATOM 683 CD ARG A 43 3.099 4.229 6.707 1.00 0.00 C ATOM 684 NE ARG A 43 2.494 3.520 7.859 1.00 0.00 N ATOM 685 CZ ARG A 43 2.813 2.312 8.305 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.706 1.559 7.724 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.216 1.824 9.357 1.00 0.00 N ATOM 0 H ARG A 43 -0.433 7.487 6.195 1.00 0.00 H new ATOM 0 HA ARG A 43 1.731 8.045 7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.909 5.751 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.190 6.029 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.626 6.230 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.375 6.038 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.602 3.920 5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.147 3.945 6.614 1.00 0.00 H new ATOM 0 HE ARG A 43 1.755 4.012 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.191 1.893 6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.919 0.636 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.502 2.371 9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.463 0.895 9.698 1.00 0.00 H new ATOM 701 N VAL A 44 2.372 8.698 4.834 1.00 0.00 N ATOM 702 CA VAL A 44 3.386 9.052 3.835 1.00 0.00 C ATOM 703 C VAL A 44 4.163 10.333 4.085 1.00 0.00 C ATOM 704 O VAL A 44 5.312 10.474 3.671 1.00 0.00 O ATOM 705 CB VAL A 44 2.574 9.052 2.537 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.056 9.859 1.361 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.530 7.589 2.159 1.00 0.00 C ATOM 0 H VAL A 44 1.447 8.594 4.416 1.00 0.00 H new ATOM 0 HA VAL A 44 4.217 8.347 3.837 1.00 0.00 H new ATOM 0 HB VAL A 44 1.627 9.550 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.360 9.742 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.114 10.911 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.043 9.509 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.967 7.469 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.545 7.219 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.046 7.022 2.954 1.00 0.00 H new ATOM 802 N LYS A 50 9.016 6.110 -0.706 1.00 0.00 N ATOM 803 CA LYS A 50 9.839 6.205 -1.901 1.00 0.00 C ATOM 804 C LYS A 50 8.955 6.107 -3.145 1.00 0.00 C ATOM 805 O LYS A 50 7.817 5.634 -3.068 1.00 0.00 O ATOM 806 CB LYS A 50 10.891 5.091 -1.839 1.00 0.00 C ATOM 807 CG LYS A 50 10.430 3.709 -2.317 1.00 0.00 C ATOM 808 CD LYS A 50 10.899 2.651 -1.323 1.00 0.00 C ATOM 809 CE LYS A 50 10.004 2.751 -0.080 1.00 0.00 C ATOM 810 NZ LYS A 50 10.155 1.601 0.840 1.00 0.00 N ATOM 0 HA LYS A 50 10.353 7.165 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.749 5.394 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.237 5.001 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.344 3.686 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.835 3.500 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.833 1.656 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.943 2.813 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.239 3.670 0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.963 2.822 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.632 1.789 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.777 0.743 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.162 1.462 1.060 1.00 0.00 H new ATOM 824 N ASP A 51 9.507 6.445 -4.302 1.00 0.00 N ATOM 825 CA ASP A 51 8.776 6.357 -5.575 1.00 0.00 C ATOM 826 C ASP A 51 8.181 4.969 -5.806 1.00 0.00 C ATOM 827 O ASP A 51 7.009 4.829 -6.125 1.00 0.00 O ATOM 828 CB ASP A 51 9.689 6.756 -6.750 1.00 0.00 C ATOM 829 CG ASP A 51 10.924 5.850 -6.989 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.733 5.646 -6.051 1.00 0.00 O ATOM 831 OD2 ASP A 51 11.088 5.365 -8.136 1.00 0.00 O ATOM 0 H ASP A 51 10.464 6.786 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 51 7.943 7.058 -5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.091 6.769 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.038 7.775 -6.583 1.00 0.00 H new ATOM 836 N THR A 52 8.961 3.934 -5.525 1.00 0.00 N ATOM 837 CA THR A 52 8.628 2.541 -5.831 1.00 0.00 C ATOM 838 C THR A 52 7.352 2.058 -5.153 1.00 0.00 C ATOM 839 O THR A 52 6.497 1.472 -5.812 1.00 0.00 O ATOM 840 CB THR A 52 9.754 1.694 -5.254 1.00 0.00 C ATOM 841 OG1 THR A 52 10.989 2.082 -5.803 1.00 0.00 O ATOM 842 CG2 THR A 52 9.617 0.190 -5.449 1.00 0.00 C ATOM 0 H THR A 52 9.866 4.038 -5.067 1.00 0.00 H new ATOM 0 HA THR A 52 8.493 2.460 -6.910 1.00 0.00 H new ATOM 0 HB THR A 52 9.696 1.880 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.711 1.846 -5.184 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.472 -0.315 -5.000 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.700 -0.157 -4.972 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.580 -0.037 -6.514 1.00 0.00 H new ATOM 850 N ASP A 53 7.217 2.303 -3.837 1.00 0.00 N ATOM 851 CA ASP A 53 6.009 1.928 -3.089 1.00 0.00 C ATOM 852 C ASP A 53 4.825 2.671 -3.668 1.00 0.00 C ATOM 853 O ASP A 53 3.834 2.050 -4.055 1.00 0.00 O ATOM 854 CB ASP A 53 6.218 2.180 -1.579 1.00 0.00 C ATOM 855 CG ASP A 53 5.024 2.113 -0.593 1.00 0.00 C ATOM 856 OD1 ASP A 53 3.856 1.962 -1.004 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.300 2.191 0.634 1.00 0.00 O ATOM 0 H ASP A 53 7.932 2.760 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 53 5.804 0.862 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.960 1.460 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.663 3.170 -1.478 1.00 0.00 H new ATOM 862 N ASP A 54 5.010 3.978 -3.865 1.00 0.00 N ATOM 863 CA ASP A 54 3.877 4.834 -4.159 1.00 0.00 C ATOM 864 C ASP A 54 3.193 4.439 -5.454 1.00 0.00 C ATOM 865 O ASP A 54 1.987 4.236 -5.476 1.00 0.00 O ATOM 866 CB ASP A 54 4.477 6.243 -4.389 1.00 0.00 C ATOM 867 CG ASP A 54 3.481 7.432 -4.434 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.253 7.249 -4.257 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.948 8.573 -4.674 1.00 0.00 O ATOM 0 H ASP A 54 5.913 4.451 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 54 3.150 4.774 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.201 6.437 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.029 6.227 -5.329 1.00 0.00 H new ATOM 874 N ILE A 55 3.962 4.209 -6.517 1.00 0.00 N ATOM 875 CA ILE A 55 3.341 3.801 -7.788 1.00 0.00 C ATOM 876 C ILE A 55 2.745 2.409 -7.744 1.00 0.00 C ATOM 877 O ILE A 55 1.615 2.183 -8.172 1.00 0.00 O ATOM 878 CB ILE A 55 4.267 3.885 -9.025 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.534 4.741 -8.850 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.452 4.404 -10.223 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.753 3.798 -8.827 1.00 0.00 C ATOM 0 H ILE A 55 4.978 4.292 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 55 2.550 4.542 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 55 4.635 2.872 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.624 5.458 -9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.480 5.315 -7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.095 4.467 -11.101 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.628 3.720 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.055 5.393 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.664 4.384 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.656 3.098 -7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.802 3.244 -9.764 1.00 0.00 H new ATOM 893 N SER A 56 3.527 1.474 -7.203 1.00 0.00 N ATOM 894 CA SER A 56 3.137 0.076 -7.284 1.00 0.00 C ATOM 895 C SER A 56 1.849 -0.203 -6.509 1.00 0.00 C ATOM 896 O SER A 56 0.910 -0.829 -7.002 1.00 0.00 O ATOM 897 CB SER A 56 4.281 -0.784 -6.747 1.00 0.00 C ATOM 898 OG SER A 56 5.084 -1.295 -7.799 1.00 0.00 O ATOM 0 H SER A 56 4.407 1.655 -6.719 1.00 0.00 H new ATOM 0 HA SER A 56 2.938 -0.171 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.898 -0.191 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.874 -1.610 -6.164 1.00 0.00 H new ATOM 0 HG SER A 56 5.808 -1.839 -7.424 1.00 0.00 H new ATOM 904 N VAL A 57 1.854 0.269 -5.265 1.00 0.00 N ATOM 905 CA VAL A 57 0.727 0.204 -4.351 1.00 0.00 C ATOM 906 C VAL A 57 -0.435 1.075 -4.772 1.00 0.00 C ATOM 907 O VAL A 57 -1.548 0.581 -4.824 1.00 0.00 O ATOM 908 CB VAL A 57 1.187 0.478 -2.919 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.939 1.886 -2.453 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.472 -0.394 -1.909 1.00 0.00 C ATOM 0 H VAL A 57 2.672 0.721 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 57 0.335 -0.813 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 57 2.256 0.272 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.293 1.998 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.473 2.583 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.129 2.100 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.833 -0.162 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.600 -0.206 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.667 -1.443 -2.131 1.00 0.00 H new ATOM 920 N ARG A 58 -0.204 2.332 -5.165 1.00 0.00 N ATOM 921 CA ARG A 58 -1.342 3.207 -5.492 1.00 0.00 C ATOM 922 C ARG A 58 -2.032 2.735 -6.748 1.00 0.00 C ATOM 923 O ARG A 58 -3.247 2.785 -6.830 1.00 0.00 O ATOM 924 CB ARG A 58 -0.973 4.647 -5.783 1.00 0.00 C ATOM 925 CG ARG A 58 -2.121 5.621 -5.470 1.00 0.00 C ATOM 926 CD ARG A 58 -2.103 6.062 -3.995 1.00 0.00 C ATOM 927 NE ARG A 58 -3.058 7.148 -3.716 1.00 0.00 N ATOM 928 CZ ARG A 58 -2.961 8.422 -4.075 1.00 0.00 C ATOM 929 NH1 ARG A 58 -1.949 8.894 -4.754 1.00 0.00 N ATOM 930 NH2 ARG A 58 -3.889 9.263 -3.720 1.00 0.00 N ATOM 0 H ARG A 58 0.718 2.756 -5.263 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.965 3.159 -4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.097 4.921 -5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.695 4.743 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.041 6.497 -6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.075 5.145 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.336 5.206 -3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.098 6.390 -3.730 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.890 6.891 -3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.188 8.274 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.920 9.882 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.685 8.942 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.820 10.243 -3.993 1.00 0.00 H new ATOM 944 N ASP A 59 -1.262 2.263 -7.718 1.00 0.00 N ATOM 945 CA ASP A 59 -1.865 1.849 -8.982 1.00 0.00 C ATOM 946 C ASP A 59 -2.748 0.604 -8.815 1.00 0.00 C ATOM 947 O ASP A 59 -3.665 0.367 -9.591 1.00 0.00 O ATOM 948 CB ASP A 59 -0.784 1.573 -10.033 1.00 0.00 C ATOM 949 CG ASP A 59 -1.344 1.342 -11.453 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.866 2.310 -12.065 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.231 0.206 -11.979 1.00 0.00 O ATOM 0 H ASP A 59 -0.249 2.158 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.497 2.672 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.091 2.414 -10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.211 0.696 -9.731 1.00 0.00 H new ATOM 956 N ALA A 60 -2.369 -0.241 -7.861 1.00 0.00 N ATOM 957 CA ALA A 60 -3.092 -1.376 -7.302 1.00 0.00 C ATOM 958 C ALA A 60 -4.292 -1.032 -6.411 1.00 0.00 C ATOM 959 O ALA A 60 -5.341 -1.648 -6.489 1.00 0.00 O ATOM 960 CB ALA A 60 -2.082 -2.229 -6.565 1.00 0.00 C ATOM 0 H ALA A 60 -1.457 -0.136 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.554 -1.910 -8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.584 -3.093 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.315 -2.568 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.619 -1.641 -5.773 1.00 0.00 H new ATOM 966 N LEU A 61 -4.123 -0.054 -5.527 1.00 0.00 N ATOM 967 CA LEU A 61 -5.105 0.473 -4.608 1.00 0.00 C ATOM 968 C LEU A 61 -6.197 1.188 -5.382 1.00 0.00 C ATOM 969 O LEU A 61 -7.346 0.777 -5.341 1.00 0.00 O ATOM 970 CB LEU A 61 -4.285 1.455 -3.754 1.00 0.00 C ATOM 971 CG LEU A 61 -5.017 2.035 -2.568 1.00 0.00 C ATOM 972 CD1 LEU A 61 -4.020 2.218 -1.433 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.786 3.313 -2.856 1.00 0.00 C ATOM 0 H LEU A 61 -3.225 0.421 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.607 -0.285 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.392 0.943 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.949 2.274 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.795 1.326 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.529 2.637 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.588 1.253 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.228 2.896 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.279 3.654 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.097 4.082 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.535 3.121 -3.624 1.00 0.00 H new ATOM 985 N ALA A 62 -5.794 2.102 -6.261 1.00 0.00 N ATOM 986 CA ALA A 62 -6.645 2.655 -7.301 1.00 0.00 C ATOM 987 C ALA A 62 -7.142 1.589 -8.301 1.00 0.00 C ATOM 988 O ALA A 62 -8.231 1.685 -8.865 1.00 0.00 O ATOM 989 CB ALA A 62 -5.960 3.841 -7.992 1.00 0.00 C ATOM 0 H ALA A 62 -4.848 2.484 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.545 3.033 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.615 4.239 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.752 4.619 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.025 3.509 -8.443 1.00 0.00 H new ATOM 995 N GLY A 63 -6.304 0.569 -8.491 1.00 0.00 N ATOM 996 CA GLY A 63 -6.489 -0.634 -9.264 1.00 0.00 C ATOM 997 C GLY A 63 -7.765 -1.317 -8.836 1.00 0.00 C ATOM 998 O GLY A 63 -8.667 -1.544 -9.629 1.00 0.00 O ATOM 0 H GLY A 63 -5.382 0.579 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.532 -0.393 -10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.641 -1.304 -9.123 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.818 -1.618 -7.531 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.945 -2.181 -6.809 1.00 0.00 C ATOM 1004 C LYS A 64 -10.108 -1.212 -6.655 1.00 0.00 C ATOM 1005 O LYS A 64 -11.254 -1.615 -6.644 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.451 -2.883 -5.536 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.446 -3.944 -5.037 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.853 -5.351 -4.866 1.00 0.00 C ATOM 1009 CE LYS A 64 -9.970 -6.343 -4.507 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.489 -7.745 -4.498 1.00 0.00 N ATOM 0 H LYS A 64 -7.017 -1.460 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.406 -2.966 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.488 -3.354 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.289 -2.142 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.854 -3.618 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.279 -3.999 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.359 -5.662 -5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.094 -5.344 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.375 -6.093 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.786 -6.245 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.296 -8.388 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.019 -7.957 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.814 -7.875 -3.718 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.842 0.071 -6.496 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.842 1.082 -6.198 1.00 0.00 C ATOM 1026 C ARG A 65 -11.923 1.058 -7.254 1.00 0.00 C ATOM 1027 O ARG A 65 -13.062 0.782 -6.925 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.173 2.443 -6.054 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.887 3.470 -5.174 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.742 4.288 -4.575 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.188 5.524 -3.917 1.00 0.00 N ATOM 1032 CZ ARG A 65 -9.588 6.698 -3.881 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -8.481 6.965 -4.522 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.099 7.643 -3.153 1.00 0.00 N ATOM 0 H ARG A 65 -8.898 0.450 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.327 0.868 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.171 2.289 -5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.055 2.871 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.564 4.095 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.484 2.988 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.206 3.673 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.034 4.541 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.079 5.466 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.034 6.245 -5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.064 7.894 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.952 7.472 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.648 8.557 -3.114 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.552 1.073 -8.528 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.521 1.002 -9.622 1.00 0.00 C ATOM 1050 C ALA A 66 -13.381 -0.265 -9.566 1.00 0.00 C ATOM 1051 O ALA A 66 -14.559 -0.248 -9.938 1.00 0.00 O ATOM 1052 CB ALA A 66 -11.807 1.010 -10.964 1.00 0.00 C ATOM 0 H ALA A 66 -10.581 1.134 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.165 1.874 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.542 0.957 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.228 1.928 -11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.139 0.151 -11.026 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.771 -1.378 -9.147 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.425 -2.676 -9.063 1.00 0.00 C ATOM 1060 C GLU A 67 -14.483 -2.647 -7.991 1.00 0.00 C ATOM 1061 O GLU A 67 -15.579 -3.176 -8.106 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.415 -3.728 -8.614 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.131 -3.726 -9.408 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.297 -4.339 -10.792 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.306 -5.584 -10.891 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.400 -3.577 -11.776 1.00 0.00 O ATOM 0 H GLU A 67 -11.794 -1.397 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.847 -2.905 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.180 -3.565 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.875 -4.713 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.772 -2.702 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.368 -4.278 -8.859 1.00 0.00 H new ATOM 1073 N LEU A 68 -14.036 -2.121 -6.860 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.778 -1.973 -5.641 1.00 0.00 C ATOM 1075 C LEU A 68 -15.924 -0.977 -5.698 1.00 0.00 C ATOM 1076 O LEU A 68 -16.918 -1.092 -4.991 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.774 -1.755 -4.569 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.283 -3.096 -4.075 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.221 -2.734 -3.132 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.278 -3.811 -3.169 1.00 0.00 C ATOM 0 H LEU A 68 -13.083 -1.767 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.346 -2.878 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.940 -1.165 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.216 -1.190 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.044 -3.723 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.788 -3.639 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.447 -2.172 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.638 -2.121 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.860 -4.766 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.480 -3.195 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.206 -3.984 -3.713 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.714 0.052 -6.501 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.593 1.162 -6.794 1.00 0.00 C ATOM 1094 C GLU A 69 -17.716 0.728 -7.724 1.00 0.00 C ATOM 1095 O GLU A 69 -18.851 1.190 -7.605 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.707 2.202 -7.473 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.333 3.413 -6.620 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.828 4.532 -7.517 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.668 5.341 -7.972 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.599 4.612 -7.755 1.00 0.00 O ATOM 0 H GLU A 69 -14.835 0.135 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.068 1.553 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.789 1.713 -7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.216 2.556 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.199 3.752 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.565 3.138 -5.897 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.382 -0.235 -8.590 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.374 -1.086 -9.256 1.00 0.00 C ATOM 1109 C ASP A 70 -19.020 -2.026 -8.241 1.00 0.00 C ATOM 1110 O ASP A 70 -20.204 -2.357 -8.382 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.730 -1.944 -10.361 1.00 0.00 C ATOM 1112 CG ASP A 70 -18.749 -2.464 -11.393 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -19.244 -1.658 -12.223 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -19.049 -3.685 -11.390 1.00 0.00 O ATOM 0 H ASP A 70 -16.418 -0.446 -8.849 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.120 -0.428 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.971 -1.354 -10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.220 -2.792 -9.904 1.00 0.00 H new ATOM 1119 N SER A 71 -18.253 -2.437 -7.215 1.00 0.00 N ATOM 1120 CA SER A 71 -18.770 -3.431 -6.260 1.00 0.00 C ATOM 1121 C SER A 71 -19.827 -2.877 -5.289 1.00 0.00 C ATOM 1122 O SER A 71 -20.808 -3.538 -4.934 1.00 0.00 O ATOM 1123 CB SER A 71 -17.640 -4.180 -5.517 1.00 0.00 C ATOM 1124 OG SER A 71 -18.154 -5.283 -4.795 1.00 0.00 O ATOM 0 H SER A 71 -17.305 -2.109 -7.030 1.00 0.00 H new ATOM 0 HA SER A 71 -19.295 -4.162 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.895 -4.525 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.134 -3.498 -4.834 1.00 0.00 H new ATOM 0 HG SER A 71 -17.421 -5.743 -4.334 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.591 -1.633 -4.899 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.187 -0.749 -3.869 1.00 0.00 C ATOM 1132 C ASP A 72 -20.398 -1.345 -2.461 1.00 0.00 C ATOM 1133 O ASP A 72 -20.557 -0.585 -1.503 1.00 0.00 O ATOM 1134 CB ASP A 72 -21.495 -0.147 -4.426 1.00 0.00 C ATOM 1135 CG ASP A 72 -22.053 1.036 -3.602 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -21.351 2.074 -3.487 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -23.215 0.952 -3.131 1.00 0.00 O ATOM 0 H ASP A 72 -18.848 -1.121 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.434 0.017 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.320 0.188 -5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -22.251 -0.931 -4.472 1.00 0.00 H new