USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 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 16 SER OG : rot -170:sc= -0.75 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -152:sc= -0.668 (180deg=-1.97) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -80:sc= 0.272 USER MOD Single : A 27 CYS SG : rot -70:sc= -2.97! USER MOD Single : A 28 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -17:sc= 1.29 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 154:sc= 0.335 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -50:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 12.974 -1.224 -1.523 1.00 0.00 N ATOM 207 CA TYR A 13 12.108 -1.379 -2.692 1.00 0.00 C ATOM 208 C TYR A 13 11.389 -2.750 -2.713 1.00 0.00 C ATOM 209 O TYR A 13 10.311 -2.873 -3.293 1.00 0.00 O ATOM 210 CB TYR A 13 12.986 -1.122 -3.929 1.00 0.00 C ATOM 211 CG TYR A 13 13.508 0.308 -4.095 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.116 1.339 -3.223 1.00 0.00 C ATOM 213 CD2 TYR A 13 14.375 0.620 -5.157 1.00 0.00 C ATOM 214 CE1 TYR A 13 13.563 2.655 -3.380 1.00 0.00 C ATOM 215 CE2 TYR A 13 14.826 1.949 -5.326 1.00 0.00 C ATOM 216 CZ TYR A 13 14.424 2.965 -4.441 1.00 0.00 C ATOM 217 OH TYR A 13 14.866 4.243 -4.618 1.00 0.00 O ATOM 0 HA TYR A 13 11.289 -0.660 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.841 -1.798 -3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.412 -1.384 -4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.449 1.107 -2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 13 14.695 -0.152 -5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.248 3.424 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.488 2.187 -6.145 1.00 0.00 H new ATOM 0 HH TYR A 13 15.455 4.280 -5.400 1.00 0.00 H new ATOM 227 N GLU A 14 11.911 -3.733 -1.964 1.00 0.00 N ATOM 228 CA GLU A 14 11.203 -4.958 -1.509 1.00 0.00 C ATOM 229 C GLU A 14 10.231 -4.681 -0.345 1.00 0.00 C ATOM 230 O GLU A 14 9.151 -5.263 -0.260 1.00 0.00 O ATOM 231 CB GLU A 14 12.242 -6.004 -1.070 1.00 0.00 C ATOM 232 CG GLU A 14 11.694 -7.415 -0.867 1.00 0.00 C ATOM 233 CD GLU A 14 11.332 -8.076 -2.193 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.249 -8.595 -2.870 1.00 0.00 O ATOM 235 OE2 GLU A 14 10.129 -8.118 -2.533 1.00 0.00 O ATOM 0 H GLU A 14 12.878 -3.703 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 14 10.609 -5.327 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.034 -6.043 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.699 -5.671 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.436 -8.022 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.812 -7.374 -0.228 1.00 0.00 H new ATOM 242 N ALA A 15 10.599 -3.739 0.525 1.00 0.00 N ATOM 243 CA ALA A 15 9.854 -3.277 1.716 1.00 0.00 C ATOM 244 C ALA A 15 8.471 -2.687 1.412 1.00 0.00 C ATOM 245 O ALA A 15 7.521 -2.790 2.189 1.00 0.00 O ATOM 246 CB ALA A 15 10.656 -2.115 2.301 1.00 0.00 C ATOM 0 H ALA A 15 11.482 -3.241 0.417 1.00 0.00 H new ATOM 0 HA ALA A 15 9.722 -4.144 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.149 -1.733 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.653 -2.462 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.739 -1.320 1.560 1.00 0.00 H new ATOM 252 N SER A 16 8.417 -2.025 0.261 1.00 0.00 N ATOM 253 CA SER A 16 7.395 -1.061 -0.156 1.00 0.00 C ATOM 254 C SER A 16 5.961 -1.630 -0.191 1.00 0.00 C ATOM 255 O SER A 16 4.977 -0.923 0.017 1.00 0.00 O ATOM 256 CB SER A 16 7.840 -0.652 -1.567 1.00 0.00 C ATOM 257 OG SER A 16 8.647 0.511 -1.534 1.00 0.00 O ATOM 0 H SER A 16 9.132 -2.153 -0.455 1.00 0.00 H new ATOM 0 HA SER A 16 7.332 -0.238 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.395 -1.470 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.963 -0.472 -2.189 1.00 0.00 H new ATOM 0 HG SER A 16 8.785 0.839 -2.447 1.00 0.00 H new ATOM 263 N ILE A 17 5.865 -2.935 -0.437 1.00 0.00 N ATOM 264 CA ILE A 17 4.725 -3.660 -1.021 1.00 0.00 C ATOM 265 C ILE A 17 4.481 -4.992 -0.248 1.00 0.00 C ATOM 266 O ILE A 17 3.617 -5.794 -0.596 1.00 0.00 O ATOM 267 CB ILE A 17 5.106 -3.812 -2.541 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.541 -2.743 -3.522 1.00 0.00 C ATOM 269 CG2 ILE A 17 4.914 -5.203 -3.171 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.051 -1.403 -2.974 1.00 0.00 C ATOM 0 H ILE A 17 6.637 -3.565 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 17 3.766 -3.149 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 17 6.176 -3.635 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.318 -2.531 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.710 -3.200 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.212 -5.172 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.528 -5.931 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.866 -5.493 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.692 -0.783 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.239 -1.574 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.872 -0.895 -2.468 1.00 0.00 H new ATOM 282 N ASP A 18 5.224 -5.208 0.845 1.00 0.00 N ATOM 283 CA ASP A 18 5.350 -6.487 1.582 1.00 0.00 C ATOM 284 C ASP A 18 4.070 -6.898 2.331 1.00 0.00 C ATOM 285 O ASP A 18 3.771 -8.092 2.455 1.00 0.00 O ATOM 286 CB ASP A 18 6.532 -6.395 2.566 1.00 0.00 C ATOM 287 CG ASP A 18 6.811 -7.723 3.301 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.323 -8.675 2.667 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.543 -7.815 4.523 1.00 0.00 O ATOM 0 H ASP A 18 5.783 -4.465 1.265 1.00 0.00 H new ATOM 0 HA ASP A 18 5.527 -7.264 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.427 -6.092 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.326 -5.616 3.300 1.00 0.00 H new ATOM 294 N GLU A 19 3.302 -5.901 2.787 1.00 0.00 N ATOM 295 CA GLU A 19 1.978 -6.090 3.430 1.00 0.00 C ATOM 296 C GLU A 19 0.837 -5.275 2.821 1.00 0.00 C ATOM 297 O GLU A 19 -0.266 -5.801 2.685 1.00 0.00 O ATOM 298 CB GLU A 19 2.051 -5.878 4.949 1.00 0.00 C ATOM 299 CG GLU A 19 2.441 -4.457 5.370 1.00 0.00 C ATOM 300 CD GLU A 19 2.481 -4.365 6.890 1.00 0.00 C ATOM 301 OE1 GLU A 19 3.557 -4.609 7.476 1.00 0.00 O ATOM 302 OE2 GLU A 19 1.439 -4.031 7.493 1.00 0.00 O ATOM 0 H GLU A 19 3.579 -4.922 2.723 1.00 0.00 H new ATOM 0 HA GLU A 19 1.726 -7.130 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.082 -6.120 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.773 -6.579 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.415 -4.199 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.724 -3.739 4.971 1.00 0.00 H new ATOM 309 N PHE A 20 1.089 -4.032 2.396 1.00 0.00 N ATOM 310 CA PHE A 20 0.081 -3.095 1.886 1.00 0.00 C ATOM 311 C PHE A 20 -0.611 -3.612 0.622 1.00 0.00 C ATOM 312 O PHE A 20 -1.822 -3.723 0.592 1.00 0.00 O ATOM 313 CB PHE A 20 0.837 -1.788 1.535 1.00 0.00 C ATOM 314 CG PHE A 20 0.030 -0.504 1.386 1.00 0.00 C ATOM 315 CD1 PHE A 20 -1.368 -0.526 1.195 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.715 0.720 1.261 1.00 0.00 C ATOM 317 CE1 PHE A 20 -2.058 0.622 0.806 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.025 1.869 0.829 1.00 0.00 C ATOM 319 CZ PHE A 20 -1.350 1.801 0.559 1.00 0.00 C ATOM 0 H PHE A 20 2.030 -3.638 2.397 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.693 -2.953 2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.588 -1.621 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.372 -1.954 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.912 -1.446 1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.768 0.777 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.132 0.600 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.554 2.802 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.863 2.663 0.159 1.00 0.00 H new ATOM 329 N MET A 21 0.123 -4.074 -0.375 1.00 0.00 N ATOM 330 CA MET A 21 -0.430 -4.581 -1.634 1.00 0.00 C ATOM 331 C MET A 21 -1.381 -5.746 -1.409 1.00 0.00 C ATOM 332 O MET A 21 -2.365 -5.897 -2.112 1.00 0.00 O ATOM 333 CB MET A 21 0.703 -5.091 -2.520 1.00 0.00 C ATOM 334 CG MET A 21 1.241 -3.974 -3.398 1.00 0.00 C ATOM 335 SD MET A 21 0.141 -3.366 -4.695 1.00 0.00 S ATOM 336 CE MET A 21 -0.687 -4.862 -5.325 1.00 0.00 C ATOM 0 H MET A 21 1.142 -4.111 -0.338 1.00 0.00 H new ATOM 0 HA MET A 21 -0.970 -3.757 -2.100 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.505 -5.491 -1.900 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.344 -5.910 -3.144 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.508 -3.134 -2.756 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.161 -4.322 -3.867 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.965 -4.712 -6.368 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.009 -5.712 -5.249 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.582 -5.058 -4.735 1.00 0.00 H new ATOM 346 N GLY A 22 -1.129 -6.527 -0.361 1.00 0.00 N ATOM 347 CA GLY A 22 -2.022 -7.570 0.123 1.00 0.00 C ATOM 348 C GLY A 22 -3.237 -6.988 0.824 1.00 0.00 C ATOM 349 O GLY A 22 -4.330 -7.517 0.675 1.00 0.00 O ATOM 0 H GLY A 22 -0.273 -6.447 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.346 -8.189 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.482 -8.221 0.811 1.00 0.00 H new ATOM 353 N LYS A 23 -3.067 -5.918 1.595 1.00 0.00 N ATOM 354 CA LYS A 23 -4.066 -5.303 2.419 1.00 0.00 C ATOM 355 C LYS A 23 -5.138 -4.702 1.490 1.00 0.00 C ATOM 356 O LYS A 23 -6.330 -4.905 1.720 1.00 0.00 O ATOM 357 CB LYS A 23 -3.372 -4.412 3.462 1.00 0.00 C ATOM 358 CG LYS A 23 -3.476 -2.936 3.220 1.00 0.00 C ATOM 359 CD LYS A 23 -2.772 -2.123 4.314 1.00 0.00 C ATOM 360 CE LYS A 23 -3.555 -2.182 5.624 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.816 -1.578 6.759 1.00 0.00 N ATOM 0 H LYS A 23 -2.168 -5.439 1.655 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.637 -5.985 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.795 -4.633 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.317 -4.683 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.038 -2.696 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.527 -2.649 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.765 -2.510 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.669 -1.086 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.506 -1.664 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.786 -3.221 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.392 -1.644 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.920 -2.087 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.617 -0.578 6.551 1.00 0.00 H new ATOM 375 N ILE A 24 -4.707 -4.039 0.401 1.00 0.00 N ATOM 376 CA ILE A 24 -5.544 -3.651 -0.743 1.00 0.00 C ATOM 377 C ILE A 24 -6.015 -4.772 -1.672 1.00 0.00 C ATOM 378 O ILE A 24 -7.177 -4.797 -2.060 1.00 0.00 O ATOM 379 CB ILE A 24 -4.896 -2.527 -1.558 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.409 -2.553 -1.811 1.00 0.00 C ATOM 381 CG2 ILE A 24 -5.305 -1.213 -0.908 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.951 -1.516 -2.768 1.00 0.00 C ATOM 0 H ILE A 24 -3.735 -3.751 0.292 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.457 -3.300 -0.262 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.272 -2.671 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.885 -2.419 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.131 -3.536 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.864 -0.382 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.391 -1.122 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.953 -1.192 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.872 -1.595 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.447 -1.662 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.197 -0.528 -2.379 1.00 0.00 H new ATOM 394 N ALA A 25 -5.171 -5.737 -2.009 1.00 0.00 N ATOM 395 CA ALA A 25 -5.586 -6.868 -2.858 1.00 0.00 C ATOM 396 C ALA A 25 -6.651 -7.726 -2.151 1.00 0.00 C ATOM 397 O ALA A 25 -7.436 -8.425 -2.795 1.00 0.00 O ATOM 398 CB ALA A 25 -4.391 -7.723 -3.285 1.00 0.00 C ATOM 0 H ALA A 25 -4.195 -5.768 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.029 -6.451 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.737 -8.547 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.688 -7.110 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.895 -8.122 -2.400 1.00 0.00 H new ATOM 404 N SER A 26 -6.688 -7.623 -0.819 1.00 0.00 N ATOM 405 CA SER A 26 -7.685 -8.237 0.034 1.00 0.00 C ATOM 406 C SER A 26 -8.664 -7.238 0.657 1.00 0.00 C ATOM 407 O SER A 26 -9.358 -7.611 1.601 1.00 0.00 O ATOM 408 CB SER A 26 -7.006 -9.105 1.112 1.00 0.00 C ATOM 409 OG SER A 26 -6.643 -8.390 2.291 1.00 0.00 O ATOM 0 H SER A 26 -5.995 -7.088 -0.296 1.00 0.00 H new ATOM 0 HA SER A 26 -8.293 -8.874 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.679 -9.918 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.112 -9.561 0.686 1.00 0.00 H new ATOM 0 HG SER A 26 -5.807 -7.904 2.134 1.00 0.00 H new ATOM 415 N CYS A 27 -8.724 -5.966 0.223 1.00 0.00 N ATOM 416 CA CYS A 27 -9.564 -5.010 0.889 1.00 0.00 C ATOM 417 C CYS A 27 -11.016 -5.346 0.484 1.00 0.00 C ATOM 418 O CYS A 27 -11.393 -5.184 -0.674 1.00 0.00 O ATOM 419 CB CYS A 27 -9.118 -3.578 0.593 1.00 0.00 C ATOM 420 SG CYS A 27 -9.343 -2.962 -1.073 1.00 0.00 S ATOM 0 H CYS A 27 -8.203 -5.601 -0.574 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.489 -5.073 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.653 -2.913 1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.059 -3.499 0.839 1.00 0.00 H new ATOM 0 HG CYS A 27 -8.512 -3.561 -1.873 1.00 0.00 H new ATOM 426 N GLN A 28 -11.824 -5.941 1.363 1.00 0.00 N ATOM 427 CA GLN A 28 -13.120 -6.541 0.938 1.00 0.00 C ATOM 428 C GLN A 28 -14.224 -5.492 0.681 1.00 0.00 C ATOM 429 O GLN A 28 -15.410 -5.812 0.564 1.00 0.00 O ATOM 430 CB GLN A 28 -13.593 -7.592 1.958 1.00 0.00 C ATOM 431 CG GLN A 28 -12.698 -8.827 2.034 1.00 0.00 C ATOM 432 CD GLN A 28 -12.179 -9.021 3.434 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.838 -9.573 4.303 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.981 -8.545 3.696 1.00 0.00 N ATOM 0 H GLN A 28 -11.622 -6.027 2.359 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.934 -7.029 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.643 -7.130 2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.605 -7.904 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.259 -9.709 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.862 -8.720 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.442 -8.087 2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.591 -8.634 4.634 1.00 0.00 H new ATOM 443 N THR A 29 -13.829 -4.221 0.676 1.00 0.00 N ATOM 444 CA THR A 29 -14.701 -3.049 0.775 1.00 0.00 C ATOM 445 C THR A 29 -14.009 -1.881 0.112 1.00 0.00 C ATOM 446 O THR A 29 -12.816 -1.671 0.328 1.00 0.00 O ATOM 447 CB THR A 29 -14.922 -2.660 2.244 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.707 -2.721 2.975 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.935 -3.548 2.962 1.00 0.00 C ATOM 0 H THR A 29 -12.844 -3.966 0.599 1.00 0.00 H new ATOM 0 HA THR A 29 -15.655 -3.286 0.303 1.00 0.00 H new ATOM 0 HB THR A 29 -15.312 -1.643 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.873 -2.467 3.907 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.042 -3.217 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.899 -3.481 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.588 -4.581 2.947 1.00 0.00 H new ATOM 457 N LEU A 30 -14.738 -1.057 -0.641 1.00 0.00 N ATOM 458 CA LEU A 30 -14.107 0.151 -1.154 1.00 0.00 C ATOM 459 C LEU A 30 -13.893 1.138 -0.031 1.00 0.00 C ATOM 460 O LEU A 30 -12.940 1.885 0.040 1.00 0.00 O ATOM 461 CB LEU A 30 -14.966 0.837 -2.185 1.00 0.00 C ATOM 462 CG LEU A 30 -13.986 1.798 -2.879 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.665 1.424 -4.272 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.515 3.175 -2.860 1.00 0.00 C ATOM 0 H LEU A 30 -15.716 -1.194 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.163 -0.155 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.397 0.124 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.797 1.372 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.059 1.732 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.969 2.150 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.210 0.434 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.579 1.412 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.810 3.843 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.471 3.205 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.656 3.496 -1.828 1.00 0.00 H new ATOM 476 N GLU A 31 -14.834 1.111 0.878 1.00 0.00 N ATOM 477 CA GLU A 31 -14.842 1.915 2.053 1.00 0.00 C ATOM 478 C GLU A 31 -13.605 1.656 2.893 1.00 0.00 C ATOM 479 O GLU A 31 -13.011 2.584 3.426 1.00 0.00 O ATOM 480 CB GLU A 31 -16.129 1.497 2.767 1.00 0.00 C ATOM 481 CG GLU A 31 -16.610 2.614 3.628 1.00 0.00 C ATOM 482 CD GLU A 31 -17.723 2.191 4.583 1.00 0.00 C ATOM 483 OE1 GLU A 31 -18.627 1.424 4.178 1.00 0.00 O ATOM 484 OE2 GLU A 31 -17.708 2.656 5.744 1.00 0.00 O ATOM 0 H GLU A 31 -15.646 0.498 0.807 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.820 2.985 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.893 1.234 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.948 0.609 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.773 3.008 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.970 3.425 2.995 1.00 0.00 H new ATOM 491 N GLY A 32 -13.178 0.392 2.936 1.00 0.00 N ATOM 492 CA GLY A 32 -11.874 -0.023 3.436 1.00 0.00 C ATOM 493 C GLY A 32 -10.659 0.277 2.579 1.00 0.00 C ATOM 494 O GLY A 32 -9.630 0.669 3.094 1.00 0.00 O ATOM 0 H GLY A 32 -13.749 -0.390 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.723 0.447 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.907 -1.099 3.605 1.00 0.00 H new ATOM 498 N LEU A 33 -10.775 0.182 1.270 1.00 0.00 N ATOM 499 CA LEU A 33 -9.739 0.562 0.321 1.00 0.00 C ATOM 500 C LEU A 33 -9.361 2.021 0.483 1.00 0.00 C ATOM 501 O LEU A 33 -8.197 2.377 0.434 1.00 0.00 O ATOM 502 CB LEU A 33 -10.335 0.412 -1.081 1.00 0.00 C ATOM 503 CG LEU A 33 -9.420 0.981 -2.177 1.00 0.00 C ATOM 504 CD1 LEU A 33 -8.086 0.302 -2.239 1.00 0.00 C ATOM 505 CD2 LEU A 33 -10.106 0.899 -3.501 1.00 0.00 C ATOM 0 H LEU A 33 -11.619 -0.173 0.819 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.859 -0.061 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.522 -0.643 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.299 0.920 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.225 2.023 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.487 0.749 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.572 0.421 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.227 -0.759 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.453 1.304 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.336 -0.142 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.030 1.476 -3.468 1.00 0.00 H new ATOM 517 N GLU A 34 -10.393 2.825 0.615 1.00 0.00 N ATOM 518 CA GLU A 34 -10.436 4.251 0.887 1.00 0.00 C ATOM 519 C GLU A 34 -9.916 4.630 2.284 1.00 0.00 C ATOM 520 O GLU A 34 -9.350 5.701 2.486 1.00 0.00 O ATOM 521 CB GLU A 34 -11.883 4.695 0.757 1.00 0.00 C ATOM 522 CG GLU A 34 -12.344 4.868 -0.693 1.00 0.00 C ATOM 523 CD GLU A 34 -11.879 6.195 -1.276 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.671 6.345 -1.549 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.728 7.082 -1.506 1.00 0.00 O ATOM 0 H GLU A 34 -11.338 2.452 0.524 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.779 4.749 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.524 3.963 1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.013 5.639 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.957 4.049 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.432 4.811 -0.739 1.00 0.00 H new ATOM 532 N GLU A 35 -10.122 3.755 3.272 1.00 0.00 N ATOM 533 CA GLU A 35 -9.499 3.844 4.622 1.00 0.00 C ATOM 534 C GLU A 35 -8.022 3.521 4.559 1.00 0.00 C ATOM 535 O GLU A 35 -7.224 4.239 5.138 1.00 0.00 O ATOM 536 CB GLU A 35 -10.096 2.869 5.654 1.00 0.00 C ATOM 537 CG GLU A 35 -11.486 3.261 6.108 1.00 0.00 C ATOM 538 CD GLU A 35 -11.427 4.193 7.313 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.429 3.685 8.455 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.392 5.431 7.119 1.00 0.00 O ATOM 0 H GLU A 35 -10.735 2.946 3.168 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.692 4.870 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.130 1.869 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.438 2.820 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.014 3.752 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.054 2.367 6.363 1.00 0.00 H new ATOM 547 N LEU A 36 -7.652 2.495 3.797 1.00 0.00 N ATOM 548 CA LEU A 36 -6.292 2.206 3.385 1.00 0.00 C ATOM 549 C LEU A 36 -5.699 3.346 2.534 1.00 0.00 C ATOM 550 O LEU A 36 -4.542 3.704 2.715 1.00 0.00 O ATOM 551 CB LEU A 36 -6.198 0.834 2.708 1.00 0.00 C ATOM 552 CG LEU A 36 -6.376 -0.358 3.674 1.00 0.00 C ATOM 553 CD1 LEU A 36 -7.127 -0.223 5.002 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.944 -1.533 2.906 1.00 0.00 C ATOM 0 H LEU A 36 -8.324 1.817 3.438 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.672 2.151 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.957 0.773 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.229 0.749 2.217 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.354 -0.472 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.130 -1.183 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.633 0.522 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.154 0.088 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.073 -2.380 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.909 -1.257 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.259 -1.809 2.104 1.00 0.00 H new ATOM 566 N GLU A 37 -6.491 3.989 1.674 1.00 0.00 N ATOM 567 CA GLU A 37 -6.110 5.141 0.878 1.00 0.00 C ATOM 568 C GLU A 37 -5.772 6.314 1.750 1.00 0.00 C ATOM 569 O GLU A 37 -4.757 6.975 1.548 1.00 0.00 O ATOM 570 CB GLU A 37 -7.225 5.560 -0.068 1.00 0.00 C ATOM 571 CG GLU A 37 -6.726 6.365 -1.260 1.00 0.00 C ATOM 572 CD GLU A 37 -6.874 7.883 -1.121 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.264 8.400 -0.050 1.00 0.00 O ATOM 574 OE2 GLU A 37 -6.585 8.572 -2.125 1.00 0.00 O ATOM 0 H GLU A 37 -7.456 3.703 1.511 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.235 4.842 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.741 4.670 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.957 6.152 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.674 6.131 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.266 6.042 -2.150 1.00 0.00 H new ATOM 581 N ALA A 38 -6.592 6.502 2.781 1.00 0.00 N ATOM 582 CA ALA A 38 -6.279 7.449 3.806 1.00 0.00 C ATOM 583 C ALA A 38 -5.039 6.994 4.597 1.00 0.00 C ATOM 584 O ALA A 38 -4.114 7.781 4.728 1.00 0.00 O ATOM 585 CB ALA A 38 -7.493 7.693 4.705 1.00 0.00 C ATOM 0 H ALA A 38 -7.472 6.004 2.914 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.031 8.405 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.234 8.416 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.317 8.081 4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.794 6.755 5.172 1.00 0.00 H new ATOM 591 N TYR A 39 -4.927 5.737 5.054 1.00 0.00 N ATOM 592 CA TYR A 39 -3.811 5.306 5.917 1.00 0.00 C ATOM 593 C TYR A 39 -2.456 5.434 5.190 1.00 0.00 C ATOM 594 O TYR A 39 -1.444 5.815 5.783 1.00 0.00 O ATOM 595 CB TYR A 39 -4.017 3.848 6.395 1.00 0.00 C ATOM 596 CG TYR A 39 -2.827 2.915 6.198 1.00 0.00 C ATOM 597 CD1 TYR A 39 -1.785 2.855 7.146 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.700 2.202 4.989 1.00 0.00 C ATOM 599 CE1 TYR A 39 -0.621 2.114 6.866 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.524 1.502 4.696 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.477 1.457 5.634 1.00 0.00 C ATOM 602 OH TYR A 39 0.663 0.775 5.343 1.00 0.00 O ATOM 0 H TYR A 39 -5.597 4.998 4.841 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.798 5.964 6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.271 3.865 7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.875 3.430 5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.880 3.377 8.087 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.517 2.196 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.166 2.051 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.420 0.995 3.748 1.00 0.00 H new ATOM 0 HH TYR A 39 0.589 0.381 4.449 1.00 0.00 H new ATOM 612 N TYR A 40 -2.463 5.203 3.881 1.00 0.00 N ATOM 613 CA TYR A 40 -1.365 5.476 2.964 1.00 0.00 C ATOM 614 C TYR A 40 -1.026 6.958 3.000 1.00 0.00 C ATOM 615 O TYR A 40 0.065 7.328 3.432 1.00 0.00 O ATOM 616 CB TYR A 40 -1.919 5.065 1.601 1.00 0.00 C ATOM 617 CG TYR A 40 -1.151 5.316 0.320 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.191 5.748 0.266 1.00 0.00 C ATOM 619 CD2 TYR A 40 -1.874 5.118 -0.868 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.776 6.028 -0.983 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.274 5.358 -2.106 1.00 0.00 C ATOM 622 CZ TYR A 40 0.039 5.838 -2.165 1.00 0.00 C ATOM 623 OH TYR A 40 0.550 6.157 -3.379 1.00 0.00 O ATOM 0 H TYR A 40 -3.274 4.801 3.410 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.446 4.943 3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.111 3.993 1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.885 5.558 1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.764 5.863 1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.898 4.779 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.793 6.389 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.823 5.173 -3.017 1.00 0.00 H new ATOM 0 HH TYR A 40 1.320 6.752 -3.264 1.00 0.00 H new ATOM 633 N LYS A 41 -1.989 7.838 2.736 1.00 0.00 N ATOM 634 CA LYS A 41 -1.735 9.282 2.726 1.00 0.00 C ATOM 635 C LYS A 41 -1.275 9.834 4.092 1.00 0.00 C ATOM 636 O LYS A 41 -0.421 10.717 4.145 1.00 0.00 O ATOM 637 CB LYS A 41 -2.960 10.015 2.229 1.00 0.00 C ATOM 638 CG LYS A 41 -3.369 9.553 0.825 1.00 0.00 C ATOM 639 CD LYS A 41 -2.999 10.523 -0.302 1.00 0.00 C ATOM 640 CE LYS A 41 -1.512 10.405 -0.595 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.961 11.609 -1.264 1.00 0.00 N ATOM 0 H LYS A 41 -2.953 7.579 2.526 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.903 9.455 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.787 9.852 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.762 11.087 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.902 8.589 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.447 9.394 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.577 10.296 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.245 11.545 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.975 10.235 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.339 9.533 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.055 11.474 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.452 11.759 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.099 12.439 -0.653 1.00 0.00 H new ATOM 655 N LYS A 42 -1.793 9.280 5.193 1.00 0.00 N ATOM 656 CA LYS A 42 -1.512 9.548 6.594 1.00 0.00 C ATOM 657 C LYS A 42 -0.087 9.136 7.001 1.00 0.00 C ATOM 658 O LYS A 42 0.590 9.848 7.738 1.00 0.00 O ATOM 659 CB LYS A 42 -2.570 8.707 7.330 1.00 0.00 C ATOM 660 CG LYS A 42 -4.001 9.247 7.281 1.00 0.00 C ATOM 661 CD LYS A 42 -4.288 10.447 8.177 1.00 0.00 C ATOM 662 CE LYS A 42 -5.696 10.912 7.778 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.980 12.293 8.227 1.00 0.00 N ATOM 0 H LYS A 42 -2.500 8.550 5.105 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.561 10.611 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.566 7.702 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.272 8.615 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.230 9.523 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.683 8.442 7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.247 10.172 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.553 11.238 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.801 10.856 6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.435 10.234 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.941 12.562 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.906 12.343 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.293 12.945 7.799 1.00 0.00 H new ATOM 677 N ARG A 43 0.381 7.993 6.504 1.00 0.00 N ATOM 678 CA ARG A 43 1.729 7.459 6.720 1.00 0.00 C ATOM 679 C ARG A 43 2.844 8.240 6.016 1.00 0.00 C ATOM 680 O ARG A 43 3.910 8.451 6.579 1.00 0.00 O ATOM 681 CB ARG A 43 1.715 5.994 6.255 1.00 0.00 C ATOM 682 CG ARG A 43 3.102 5.353 6.240 1.00 0.00 C ATOM 683 CD ARG A 43 3.085 3.880 5.817 1.00 0.00 C ATOM 684 NE ARG A 43 2.621 3.694 4.433 1.00 0.00 N ATOM 685 CZ ARG A 43 3.358 3.480 3.353 1.00 0.00 C ATOM 686 NH1 ARG A 43 4.658 3.426 3.359 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.796 3.305 2.196 1.00 0.00 N ATOM 0 H ARG A 43 -0.190 7.387 5.915 1.00 0.00 H new ATOM 0 HA ARG A 43 1.964 7.551 7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.063 5.418 6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.287 5.942 5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.745 5.912 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.542 5.433 7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.088 3.465 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.438 3.320 6.492 1.00 0.00 H new ATOM 0 HE ARG A 43 1.612 3.735 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.170 3.552 4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.165 3.257 2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.780 3.332 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.371 3.141 1.369 1.00 0.00 H new ATOM 701 N VAL A 44 2.640 8.627 4.766 1.00 0.00 N ATOM 702 CA VAL A 44 3.648 9.102 3.812 1.00 0.00 C ATOM 703 C VAL A 44 4.555 10.204 4.348 1.00 0.00 C ATOM 704 O VAL A 44 5.758 10.232 4.093 1.00 0.00 O ATOM 705 CB VAL A 44 2.786 9.544 2.628 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.371 10.493 1.616 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.452 8.279 1.874 1.00 0.00 C ATOM 0 H VAL A 44 1.705 8.619 4.357 1.00 0.00 H new ATOM 0 HA VAL A 44 4.379 8.335 3.558 1.00 0.00 H new ATOM 0 HB VAL A 44 1.964 10.102 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.631 10.704 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.655 11.422 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.252 10.041 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.834 8.523 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.373 7.802 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.908 7.598 2.529 1.00 0.00 H new ATOM 802 N LYS A 50 8.936 6.345 -0.844 1.00 0.00 N ATOM 803 CA LYS A 50 9.745 6.449 -2.049 1.00 0.00 C ATOM 804 C LYS A 50 8.844 6.297 -3.276 1.00 0.00 C ATOM 805 O LYS A 50 7.711 5.818 -3.171 1.00 0.00 O ATOM 806 CB LYS A 50 10.818 5.351 -1.993 1.00 0.00 C ATOM 807 CG LYS A 50 10.362 3.946 -2.409 1.00 0.00 C ATOM 808 CD LYS A 50 10.728 2.923 -1.343 1.00 0.00 C ATOM 809 CE LYS A 50 9.866 3.134 -0.103 1.00 0.00 C ATOM 810 NZ LYS A 50 10.064 2.085 0.931 1.00 0.00 N ATOM 0 HA LYS A 50 10.235 7.420 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.647 5.648 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.205 5.300 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.284 3.941 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.827 3.673 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.583 1.914 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.783 3.017 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.094 4.109 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.816 3.153 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.452 2.283 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.821 1.155 0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.058 2.082 1.236 1.00 0.00 H new ATOM 824 N ASP A 51 9.384 6.562 -4.460 1.00 0.00 N ATOM 825 CA ASP A 51 8.605 6.443 -5.706 1.00 0.00 C ATOM 826 C ASP A 51 8.001 5.044 -5.843 1.00 0.00 C ATOM 827 O ASP A 51 6.821 4.883 -6.115 1.00 0.00 O ATOM 828 CB ASP A 51 9.488 6.752 -6.923 1.00 0.00 C ATOM 829 CG ASP A 51 10.084 8.173 -6.922 1.00 0.00 C ATOM 830 OD1 ASP A 51 9.435 9.110 -7.448 1.00 0.00 O ATOM 831 OD2 ASP A 51 11.216 8.351 -6.407 1.00 0.00 O ATOM 0 H ASP A 51 10.351 6.859 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 51 7.792 7.168 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.302 6.028 -6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.899 6.617 -7.830 1.00 0.00 H new ATOM 836 N THR A 52 8.790 4.020 -5.538 1.00 0.00 N ATOM 837 CA THR A 52 8.485 2.612 -5.777 1.00 0.00 C ATOM 838 C THR A 52 7.214 2.133 -5.071 1.00 0.00 C ATOM 839 O THR A 52 6.372 1.523 -5.723 1.00 0.00 O ATOM 840 CB THR A 52 9.625 1.798 -5.166 1.00 0.00 C ATOM 841 OG1 THR A 52 10.878 2.204 -5.675 1.00 0.00 O ATOM 842 CG2 THR A 52 9.515 0.282 -5.323 1.00 0.00 C ATOM 0 H THR A 52 9.700 4.153 -5.098 1.00 0.00 H new ATOM 0 HA THR A 52 8.354 2.488 -6.852 1.00 0.00 H new ATOM 0 HB THR A 52 9.539 2.010 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.578 2.006 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.375 -0.196 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.600 -0.068 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.491 0.027 -6.382 1.00 0.00 H new ATOM 850 N ASP A 53 7.052 2.430 -3.765 1.00 0.00 N ATOM 851 CA ASP A 53 5.824 2.095 -3.025 1.00 0.00 C ATOM 852 C ASP A 53 4.651 2.831 -3.642 1.00 0.00 C ATOM 853 O ASP A 53 3.651 2.210 -4.012 1.00 0.00 O ATOM 854 CB ASP A 53 6.015 2.347 -1.504 1.00 0.00 C ATOM 855 CG ASP A 53 4.810 2.510 -0.543 1.00 0.00 C ATOM 856 OD1 ASP A 53 3.632 2.465 -0.944 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.078 2.676 0.675 1.00 0.00 O ATOM 0 H ASP A 53 7.760 2.902 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 53 5.601 1.031 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.614 1.521 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.619 3.249 -1.408 1.00 0.00 H new ATOM 862 N ASP A 54 4.854 4.118 -3.917 1.00 0.00 N ATOM 863 CA ASP A 54 3.746 4.989 -4.273 1.00 0.00 C ATOM 864 C ASP A 54 3.087 4.554 -5.572 1.00 0.00 C ATOM 865 O ASP A 54 1.874 4.420 -5.624 1.00 0.00 O ATOM 866 CB ASP A 54 4.363 6.378 -4.519 1.00 0.00 C ATOM 867 CG ASP A 54 3.322 7.521 -4.514 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.646 7.726 -3.479 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.183 8.220 -5.547 1.00 0.00 O ATOM 0 H ASP A 54 5.767 4.573 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 54 2.996 4.972 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.112 6.576 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.881 6.373 -5.478 1.00 0.00 H new ATOM 874 N ILE A 55 3.879 4.264 -6.610 1.00 0.00 N ATOM 875 CA ILE A 55 3.313 3.786 -7.890 1.00 0.00 C ATOM 876 C ILE A 55 2.714 2.396 -7.817 1.00 0.00 C ATOM 877 O ILE A 55 1.610 2.157 -8.294 1.00 0.00 O ATOM 878 CB ILE A 55 4.264 3.846 -9.120 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.552 4.657 -8.923 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.479 4.363 -10.332 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.726 3.679 -8.768 1.00 0.00 C ATOM 0 H ILE A 55 4.896 4.347 -6.598 1.00 0.00 H new ATOM 0 HA ILE A 55 2.523 4.519 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 55 4.614 2.826 -9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.718 5.316 -9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.469 5.291 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.137 4.409 -11.199 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.648 3.689 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.093 5.359 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.650 4.239 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.554 3.039 -7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.808 3.064 -9.664 1.00 0.00 H new ATOM 893 N SER A 56 3.472 1.484 -7.200 1.00 0.00 N ATOM 894 CA SER A 56 3.096 0.078 -7.255 1.00 0.00 C ATOM 895 C SER A 56 1.779 -0.179 -6.552 1.00 0.00 C ATOM 896 O SER A 56 0.850 -0.798 -7.070 1.00 0.00 O ATOM 897 CB SER A 56 4.199 -0.753 -6.589 1.00 0.00 C ATOM 898 OG SER A 56 5.093 -1.300 -7.536 1.00 0.00 O ATOM 0 H SER A 56 4.322 1.689 -6.674 1.00 0.00 H new ATOM 0 HA SER A 56 2.975 -0.205 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.751 -0.127 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.747 -1.558 -6.010 1.00 0.00 H new ATOM 0 HG SER A 56 5.782 -1.821 -7.073 1.00 0.00 H new ATOM 904 N VAL A 57 1.730 0.346 -5.336 1.00 0.00 N ATOM 905 CA VAL A 57 0.578 0.341 -4.461 1.00 0.00 C ATOM 906 C VAL A 57 -0.549 1.203 -4.963 1.00 0.00 C ATOM 907 O VAL A 57 -1.663 0.716 -5.058 1.00 0.00 O ATOM 908 CB VAL A 57 1.003 0.637 -3.028 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.689 2.015 -2.536 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.348 -0.319 -2.057 1.00 0.00 C ATOM 0 H VAL A 57 2.536 0.809 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 57 0.153 -0.663 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 57 2.087 0.526 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.033 2.121 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.193 2.749 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.388 2.180 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.670 -0.084 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.735 -0.222 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.637 -1.341 -2.302 1.00 0.00 H new ATOM 920 N ARG A 58 -0.288 2.434 -5.415 1.00 0.00 N ATOM 921 CA ARG A 58 -1.398 3.268 -5.892 1.00 0.00 C ATOM 922 C ARG A 58 -2.059 2.646 -7.085 1.00 0.00 C ATOM 923 O ARG A 58 -3.273 2.629 -7.176 1.00 0.00 O ATOM 924 CB ARG A 58 -0.977 4.642 -6.389 1.00 0.00 C ATOM 925 CG ARG A 58 -2.146 5.581 -6.720 1.00 0.00 C ATOM 926 CD ARG A 58 -2.955 5.991 -5.489 1.00 0.00 C ATOM 927 NE ARG A 58 -4.090 6.857 -5.842 1.00 0.00 N ATOM 928 CZ ARG A 58 -4.837 7.529 -4.982 1.00 0.00 C ATOM 929 NH1 ARG A 58 -4.587 7.520 -3.700 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.861 8.222 -5.378 1.00 0.00 N ATOM 0 H ARG A 58 0.637 2.861 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.045 3.355 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.351 5.113 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.361 4.520 -7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.758 6.476 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.807 5.090 -7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.323 5.099 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.306 6.512 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.320 6.947 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.798 6.985 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.181 8.048 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.102 8.255 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.424 8.733 -4.699 1.00 0.00 H new ATOM 944 N ASP A 59 -1.268 2.130 -8.011 1.00 0.00 N ATOM 945 CA ASP A 59 -1.847 1.667 -9.265 1.00 0.00 C ATOM 946 C ASP A 59 -2.748 0.434 -9.051 1.00 0.00 C ATOM 947 O ASP A 59 -3.632 0.153 -9.848 1.00 0.00 O ATOM 948 CB ASP A 59 -0.726 1.331 -10.251 1.00 0.00 C ATOM 949 CG ASP A 59 -1.213 0.974 -11.668 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.709 1.876 -12.389 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.084 -0.208 -12.077 1.00 0.00 O ATOM 0 H ASP A 59 -0.257 2.022 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.469 2.466 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.048 2.182 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.150 0.494 -9.856 1.00 0.00 H new ATOM 956 N ALA A 60 -2.408 -0.340 -8.020 1.00 0.00 N ATOM 957 CA ALA A 60 -3.149 -1.418 -7.386 1.00 0.00 C ATOM 958 C ALA A 60 -4.362 -1.023 -6.549 1.00 0.00 C ATOM 959 O ALA A 60 -5.389 -1.676 -6.593 1.00 0.00 O ATOM 960 CB ALA A 60 -2.163 -2.211 -6.555 1.00 0.00 C ATOM 0 H ALA A 60 -1.506 -0.207 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.596 -1.999 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.682 -3.033 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.382 -2.611 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.715 -1.561 -5.804 1.00 0.00 H new ATOM 966 N LEU A 61 -4.227 0.008 -5.727 1.00 0.00 N ATOM 967 CA LEU A 61 -5.214 0.601 -4.851 1.00 0.00 C ATOM 968 C LEU A 61 -6.270 1.342 -5.658 1.00 0.00 C ATOM 969 O LEU A 61 -7.438 0.994 -5.633 1.00 0.00 O ATOM 970 CB LEU A 61 -4.354 1.541 -3.993 1.00 0.00 C ATOM 971 CG LEU A 61 -5.039 2.142 -2.785 1.00 0.00 C ATOM 972 CD1 LEU A 61 -4.073 2.201 -1.617 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.674 3.498 -3.048 1.00 0.00 C ATOM 0 H LEU A 61 -3.333 0.494 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.781 -0.112 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.477 0.991 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.996 2.353 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.870 1.482 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.574 2.635 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.735 1.194 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.215 2.817 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.145 3.863 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.907 4.203 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.427 3.402 -3.830 1.00 0.00 H new ATOM 985 N ALA A 62 -5.816 2.220 -6.548 1.00 0.00 N ATOM 986 CA ALA A 62 -6.602 2.689 -7.689 1.00 0.00 C ATOM 987 C ALA A 62 -7.049 1.562 -8.633 1.00 0.00 C ATOM 988 O ALA A 62 -8.113 1.638 -9.248 1.00 0.00 O ATOM 989 CB ALA A 62 -5.879 3.816 -8.426 1.00 0.00 C ATOM 0 H ALA A 62 -4.884 2.631 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.527 3.096 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.485 4.146 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.719 4.652 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.917 3.455 -8.790 1.00 0.00 H new ATOM 995 N GLY A 63 -6.231 0.510 -8.717 1.00 0.00 N ATOM 996 CA GLY A 63 -6.492 -0.759 -9.375 1.00 0.00 C ATOM 997 C GLY A 63 -7.804 -1.341 -8.868 1.00 0.00 C ATOM 998 O GLY A 63 -8.726 -1.607 -9.630 1.00 0.00 O ATOM 0 H GLY A 63 -5.303 0.531 -8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.540 -0.617 -10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.676 -1.455 -9.181 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.870 -1.474 -7.542 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.984 -1.949 -6.758 1.00 0.00 C ATOM 1004 C LYS A 64 -10.150 -0.989 -6.738 1.00 0.00 C ATOM 1005 O LYS A 64 -11.278 -1.439 -6.685 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.546 -2.368 -5.343 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.209 -3.702 -4.948 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.291 -4.887 -5.275 1.00 0.00 C ATOM 1009 CE LYS A 64 -8.837 -6.236 -4.779 1.00 0.00 C ATOM 1010 NZ LYS A 64 -10.016 -6.719 -5.545 1.00 0.00 N ATOM 0 H LYS A 64 -7.075 -1.229 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.352 -2.844 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.461 -2.469 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.819 -1.593 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.438 -3.697 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.155 -3.813 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.145 -4.937 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.312 -4.713 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.045 -6.983 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.110 -6.144 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.331 -7.631 -5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.787 -6.025 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.755 -6.839 -6.545 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.934 0.318 -6.751 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.977 1.298 -6.533 1.00 0.00 C ATOM 1026 C ARG A 65 -12.099 1.095 -7.519 1.00 0.00 C ATOM 1027 O ARG A 65 -13.198 0.819 -7.086 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.370 2.694 -6.554 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.982 3.691 -5.553 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.809 4.361 -4.825 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.186 5.629 -4.183 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.327 6.819 -4.738 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.157 7.038 -6.015 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.648 7.830 -3.977 1.00 0.00 N ATOM 0 H ARG A 65 -9.015 0.729 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.428 1.171 -5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.302 2.611 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.474 3.103 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.592 4.433 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.634 3.178 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.419 3.679 -4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.003 4.544 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.361 5.584 -3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.903 6.269 -6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.279 7.978 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.784 7.692 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.762 8.758 -4.384 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.754 0.940 -8.789 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.754 0.642 -9.825 1.00 0.00 C ATOM 1050 C ALA A 66 -13.502 -0.670 -9.577 1.00 0.00 C ATOM 1051 O ALA A 66 -14.691 -0.777 -9.895 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.094 0.530 -11.186 1.00 0.00 C ATOM 0 H ALA A 66 -10.797 1.014 -9.134 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.464 1.468 -9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.850 0.309 -11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.602 1.471 -11.430 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.355 -0.271 -11.167 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.801 -1.684 -9.048 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.377 -2.995 -8.766 1.00 0.00 C ATOM 1060 C GLU A 67 -14.393 -2.896 -7.651 1.00 0.00 C ATOM 1061 O GLU A 67 -15.463 -3.489 -7.649 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.288 -3.923 -8.233 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.025 -3.954 -9.058 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.205 -4.712 -10.370 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.140 -5.962 -10.350 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.381 -4.063 -11.426 1.00 0.00 O ATOM 0 H GLU A 67 -11.813 -1.611 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.827 -3.362 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.035 -3.618 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.690 -4.934 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.709 -2.933 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.228 -4.420 -8.479 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.935 -2.212 -6.619 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.601 -1.979 -5.372 1.00 0.00 C ATOM 1075 C LEU A 68 -15.828 -1.089 -5.443 1.00 0.00 C ATOM 1076 O LEU A 68 -16.765 -1.196 -4.663 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.539 -1.679 -4.362 1.00 0.00 C ATOM 1078 CG LEU A 68 -12.977 -2.979 -3.811 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -11.947 -2.537 -2.859 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -13.977 -3.708 -2.908 1.00 0.00 C ATOM 0 H LEU A 68 -13.014 -1.775 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.124 -2.871 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.743 -1.092 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -13.953 -1.078 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.673 -3.622 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.476 -3.407 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.193 -1.951 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.407 -1.924 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.529 -4.631 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.238 -3.069 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.876 -3.944 -3.477 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.746 -0.149 -6.375 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.721 0.821 -6.814 1.00 0.00 C ATOM 1094 C GLU A 69 -17.799 0.183 -7.681 1.00 0.00 C ATOM 1095 O GLU A 69 -18.954 0.605 -7.670 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.929 1.808 -7.663 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.519 3.099 -6.959 1.00 0.00 C ATOM 1098 CD GLU A 69 -15.017 4.121 -7.969 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.860 4.815 -8.580 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.783 4.241 -8.132 1.00 0.00 O ATOM 0 H GLU A 69 -14.880 -0.042 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.225 1.279 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.029 1.310 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.524 2.066 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.369 3.507 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.739 2.889 -6.227 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.407 -0.858 -8.418 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.385 -1.847 -8.920 1.00 0.00 C ATOM 1109 C ASP A 70 -18.968 -2.641 -7.770 1.00 0.00 C ATOM 1110 O ASP A 70 -20.132 -3.048 -7.822 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.756 -2.837 -9.905 1.00 0.00 C ATOM 1112 CG ASP A 70 -18.780 -3.470 -10.871 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -19.244 -2.772 -11.809 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -19.117 -4.667 -10.706 1.00 0.00 O ATOM 0 H ASP A 70 -16.439 -1.044 -8.681 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.161 -1.280 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.989 -2.324 -10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.257 -3.628 -9.346 1.00 0.00 H new ATOM 1119 N SER A 71 -18.169 -2.797 -6.710 1.00 0.00 N ATOM 1120 CA SER A 71 -18.572 -3.561 -5.526 1.00 0.00 C ATOM 1121 C SER A 71 -19.197 -2.681 -4.400 1.00 0.00 C ATOM 1122 O SER A 71 -19.107 -3.024 -3.217 1.00 0.00 O ATOM 1123 CB SER A 71 -17.391 -4.398 -4.996 1.00 0.00 C ATOM 1124 OG SER A 71 -17.841 -5.438 -4.148 1.00 0.00 O ATOM 0 H SER A 71 -17.231 -2.400 -6.648 1.00 0.00 H new ATOM 0 HA SER A 71 -19.367 -4.234 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.837 -4.822 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.701 -3.754 -4.451 1.00 0.00 H new ATOM 0 HG SER A 71 -18.454 -5.071 -3.477 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.762 -1.515 -4.757 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.212 -0.416 -3.869 1.00 0.00 C ATOM 1132 C ASP A 72 -21.176 -0.826 -2.730 1.00 0.00 C ATOM 1133 O ASP A 72 -21.345 -0.074 -1.768 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.879 0.668 -4.745 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.361 1.915 -3.973 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.512 2.710 -3.501 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.594 2.133 -3.901 1.00 0.00 O ATOM 0 H ASP A 72 -19.930 -1.295 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.320 -0.054 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.171 0.983 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.731 0.225 -5.261 1.00 0.00 H new