USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 458 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 29 SER OG : rot -1:sc= -3.25! USER MOD Set 1.2: A 70 ASN : amide:sc= -13.5! C(o=-17!,f=-21!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 151:sc= -0.649 (180deg=-0.468) USER MOD Set 2.2: A 62 ASN : amide:sc= -1.47 X(o=-2.1,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 85:sc= 0.367 USER MOD Single : A 24 GLN : amide:sc= -3.19 K(o=-3.2,f=0.03) USER MOD Single : A 28 TYR OH : rot -132:sc= -0.288 USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -1.98 (180deg=-3.31!) USER MOD Single : A 33 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.49) USER MOD Single : A 37 SER OG : rot -94:sc= -2.29! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -13.2! C(o=-13!,f=-23!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0027 USER MOD Single : A 51 GLN : amide:sc= -5.45 K(o=-5.5,f=-7.5!) USER MOD Single : A 55 TYR OH : rot 26:sc= -0.971 USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= -0.389 (180deg=-1.88!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= 0.0839 K(o=0.084,f=-5.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.425 K(o=0.42,f=-2.9!) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= 0.0437 (180deg=-4.03!) USER MOD ----------------------------------------------------------------- ATOM 200 N GLY A 13 9.711 9.257 -4.824 1.00 0.00 N ATOM 201 CA GLY A 13 10.556 8.227 -4.225 1.00 0.00 C ATOM 202 C GLY A 13 9.847 7.532 -3.073 1.00 0.00 C ATOM 203 O GLY A 13 8.682 7.183 -3.173 1.00 0.00 O ATOM 0 HA2 GLY A 13 10.830 7.493 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.482 8.676 -3.867 1.00 0.00 H new ATOM 207 N LYS A 14 10.569 7.322 -1.982 1.00 0.00 N ATOM 208 CA LYS A 14 9.999 6.648 -0.822 1.00 0.00 C ATOM 209 C LYS A 14 8.762 7.378 -0.301 1.00 0.00 C ATOM 210 O LYS A 14 7.912 6.775 0.351 1.00 0.00 O ATOM 211 CB LYS A 14 11.047 6.554 0.289 1.00 0.00 C ATOM 212 CG LYS A 14 11.389 7.959 0.793 1.00 0.00 C ATOM 213 CD LYS A 14 12.451 7.863 1.889 1.00 0.00 C ATOM 214 CE LYS A 14 12.790 9.266 2.393 1.00 0.00 C ATOM 215 NZ LYS A 14 13.821 9.172 3.465 1.00 0.00 N ATOM 0 H LYS A 14 11.543 7.605 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 14 9.696 5.648 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.668 5.945 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.945 6.062 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.755 8.573 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.494 8.446 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.086 7.248 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.347 7.378 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.159 9.880 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.894 9.753 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.052 10.126 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.453 8.600 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.679 8.724 3.084 1.00 0.00 H new ATOM 229 N ALA A 15 8.659 8.668 -0.589 1.00 0.00 N ATOM 230 CA ALA A 15 7.504 9.436 -0.132 1.00 0.00 C ATOM 231 C ALA A 15 6.282 9.125 -0.995 1.00 0.00 C ATOM 232 O ALA A 15 5.292 8.607 -0.519 1.00 0.00 O ATOM 233 CB ALA A 15 7.822 10.931 -0.202 1.00 0.00 C ATOM 0 H ALA A 15 9.345 9.199 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 15 7.282 9.160 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.959 11.503 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.678 11.151 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.055 11.206 -1.231 1.00 0.00 H new ATOM 239 N ALA A 16 6.376 9.437 -2.267 1.00 0.00 N ATOM 240 CA ALA A 16 5.281 9.180 -3.197 1.00 0.00 C ATOM 241 C ALA A 16 4.994 7.692 -3.286 1.00 0.00 C ATOM 242 O ALA A 16 3.847 7.284 -3.369 1.00 0.00 O ATOM 243 CB ALA A 16 5.623 9.722 -4.584 1.00 0.00 C ATOM 0 H ALA A 16 7.197 9.870 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 16 4.392 9.689 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.797 9.523 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.792 10.797 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.525 9.233 -4.953 1.00 0.00 H new ATOM 249 N VAL A 17 6.053 6.895 -3.278 1.00 0.00 N ATOM 250 CA VAL A 17 5.872 5.449 -3.367 1.00 0.00 C ATOM 251 C VAL A 17 5.038 4.966 -2.196 1.00 0.00 C ATOM 252 O VAL A 17 4.006 4.332 -2.372 1.00 0.00 O ATOM 253 CB VAL A 17 7.205 4.728 -3.328 1.00 0.00 C ATOM 254 CG1 VAL A 17 6.937 3.242 -3.116 1.00 0.00 C ATOM 255 CG2 VAL A 17 7.944 4.923 -4.653 1.00 0.00 C ATOM 0 H VAL A 17 7.021 7.210 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 17 5.373 5.233 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 17 7.819 5.127 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.884 2.702 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.406 3.099 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.329 2.861 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.901 4.402 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.342 4.520 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.116 5.986 -4.820 1.00 0.00 H new ATOM 265 N VAL A 18 5.499 5.252 -0.999 1.00 0.00 N ATOM 266 CA VAL A 18 4.788 4.824 0.187 1.00 0.00 C ATOM 267 C VAL A 18 3.403 5.416 0.183 1.00 0.00 C ATOM 268 O VAL A 18 2.436 4.775 0.570 1.00 0.00 O ATOM 269 CB VAL A 18 5.525 5.283 1.441 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.640 5.047 2.672 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.830 4.490 1.583 1.00 0.00 C ATOM 0 H VAL A 18 6.356 5.775 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 18 4.728 3.736 0.187 1.00 0.00 H new ATOM 0 HB VAL A 18 5.754 6.346 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.167 5.375 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.714 5.613 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.409 3.985 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.358 4.816 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.603 3.427 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.457 4.662 0.708 1.00 0.00 H new ATOM 281 N LYS A 19 3.333 6.655 -0.235 1.00 0.00 N ATOM 282 CA LYS A 19 2.076 7.370 -0.276 1.00 0.00 C ATOM 283 C LYS A 19 1.095 6.691 -1.216 1.00 0.00 C ATOM 284 O LYS A 19 -0.090 6.597 -0.904 1.00 0.00 O ATOM 285 CB LYS A 19 2.305 8.827 -0.703 1.00 0.00 C ATOM 286 CG LYS A 19 2.762 9.713 0.492 1.00 0.00 C ATOM 287 CD LYS A 19 3.448 8.887 1.596 1.00 0.00 C ATOM 288 CE LYS A 19 4.282 9.816 2.482 1.00 0.00 C ATOM 289 NZ LYS A 19 4.784 9.057 3.663 1.00 0.00 N ATOM 0 H LYS A 19 4.137 7.195 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 19 1.647 7.361 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.058 8.861 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.385 9.231 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.449 10.479 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.899 10.230 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.700 8.369 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.085 8.122 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.119 10.222 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.678 10.662 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.351 9.687 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.978 8.690 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.374 8.264 3.341 1.00 0.00 H new ATOM 303 N VAL A 20 1.568 6.200 -2.363 1.00 0.00 N ATOM 304 CA VAL A 20 0.657 5.530 -3.269 1.00 0.00 C ATOM 305 C VAL A 20 0.293 4.179 -2.718 1.00 0.00 C ATOM 306 O VAL A 20 -0.812 3.718 -2.913 1.00 0.00 O ATOM 307 CB VAL A 20 1.206 5.397 -4.695 1.00 0.00 C ATOM 308 CG1 VAL A 20 1.369 6.786 -5.301 1.00 0.00 C ATOM 309 CG2 VAL A 20 2.549 4.671 -4.693 1.00 0.00 C ATOM 0 H VAL A 20 2.539 6.253 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.233 6.155 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 20 0.504 4.814 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.759 6.697 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.402 7.287 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.063 7.368 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.919 4.588 -5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.265 5.232 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.423 3.674 -4.271 1.00 0.00 H new ATOM 319 N VAL A 21 1.214 3.545 -2.004 1.00 0.00 N ATOM 320 CA VAL A 21 0.906 2.253 -1.425 1.00 0.00 C ATOM 321 C VAL A 21 -0.197 2.443 -0.370 1.00 0.00 C ATOM 322 O VAL A 21 -1.208 1.753 -0.392 1.00 0.00 O ATOM 323 CB VAL A 21 2.181 1.652 -0.805 1.00 0.00 C ATOM 324 CG1 VAL A 21 1.855 0.345 -0.059 1.00 0.00 C ATOM 325 CG2 VAL A 21 3.197 1.365 -1.922 1.00 0.00 C ATOM 0 H VAL A 21 2.154 3.895 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 21 0.548 1.561 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 21 2.599 2.364 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.768 -0.065 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.138 0.549 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.428 -0.375 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.102 0.939 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.767 0.659 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.443 2.293 -2.437 1.00 0.00 H new ATOM 335 N GLU A 22 0.021 3.404 0.545 1.00 0.00 N ATOM 336 CA GLU A 22 -0.959 3.700 1.613 1.00 0.00 C ATOM 337 C GLU A 22 -2.272 4.143 1.022 1.00 0.00 C ATOM 338 O GLU A 22 -3.320 3.659 1.421 1.00 0.00 O ATOM 339 CB GLU A 22 -0.424 4.857 2.472 1.00 0.00 C ATOM 340 CG GLU A 22 0.781 4.408 3.291 1.00 0.00 C ATOM 341 CD GLU A 22 1.488 5.622 3.883 1.00 0.00 C ATOM 342 OE1 GLU A 22 1.161 6.727 3.483 1.00 0.00 O ATOM 343 OE2 GLU A 22 2.347 5.427 4.728 1.00 0.00 O ATOM 0 H GLU A 22 0.858 3.986 0.570 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.107 2.797 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.143 5.693 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.209 5.216 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.460 3.738 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.471 3.846 2.661 1.00 0.00 H new ATOM 350 N SER A 23 -2.231 5.094 0.106 1.00 0.00 N ATOM 351 CA SER A 23 -3.456 5.591 -0.469 1.00 0.00 C ATOM 352 C SER A 23 -4.174 4.518 -1.289 1.00 0.00 C ATOM 353 O SER A 23 -5.397 4.376 -1.215 1.00 0.00 O ATOM 354 CB SER A 23 -3.167 6.806 -1.350 1.00 0.00 C ATOM 355 OG SER A 23 -2.685 7.870 -0.539 1.00 0.00 O ATOM 0 H SER A 23 -1.378 5.527 -0.247 1.00 0.00 H new ATOM 0 HA SER A 23 -4.111 5.880 0.353 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.430 6.551 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.072 7.114 -1.874 1.00 0.00 H new ATOM 0 HG SER A 23 -1.717 7.775 -0.416 1.00 0.00 H new ATOM 361 N GLN A 24 -3.404 3.766 -2.065 1.00 0.00 N ATOM 362 CA GLN A 24 -3.960 2.704 -2.898 1.00 0.00 C ATOM 363 C GLN A 24 -4.623 1.654 -2.040 1.00 0.00 C ATOM 364 O GLN A 24 -5.732 1.197 -2.320 1.00 0.00 O ATOM 365 CB GLN A 24 -2.839 2.063 -3.718 1.00 0.00 C ATOM 366 CG GLN A 24 -3.388 0.942 -4.589 1.00 0.00 C ATOM 367 CD GLN A 24 -2.293 0.444 -5.524 1.00 0.00 C ATOM 368 OE1 GLN A 24 -1.860 1.173 -6.417 1.00 0.00 O ATOM 369 NE2 GLN A 24 -1.806 -0.754 -5.365 1.00 0.00 N ATOM 0 H GLN A 24 -2.392 3.871 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.707 3.133 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.362 2.817 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.072 1.670 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.748 0.124 -3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.240 1.300 -5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.166 -1.357 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.065 -1.089 -5.981 1.00 0.00 H new ATOM 378 N ALA A 25 -3.933 1.295 -0.988 1.00 0.00 N ATOM 379 CA ALA A 25 -4.432 0.315 -0.055 1.00 0.00 C ATOM 380 C ALA A 25 -5.610 0.858 0.717 1.00 0.00 C ATOM 381 O ALA A 25 -6.576 0.172 0.955 1.00 0.00 O ATOM 382 CB ALA A 25 -3.326 -0.053 0.875 1.00 0.00 C ATOM 0 H ALA A 25 -3.014 1.671 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.774 -0.566 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.683 -0.794 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.495 -0.469 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.990 0.835 1.410 1.00 0.00 H new ATOM 388 N GLU A 26 -5.487 2.088 1.120 1.00 0.00 N ATOM 389 CA GLU A 26 -6.545 2.710 1.877 1.00 0.00 C ATOM 390 C GLU A 26 -7.851 2.377 1.208 1.00 0.00 C ATOM 391 O GLU A 26 -8.834 2.039 1.868 1.00 0.00 O ATOM 392 CB GLU A 26 -6.361 4.212 1.945 1.00 0.00 C ATOM 393 CG GLU A 26 -7.751 4.876 1.959 1.00 0.00 C ATOM 394 CD GLU A 26 -7.609 6.391 2.060 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.654 6.915 1.509 1.00 0.00 O ATOM 396 OE2 GLU A 26 -8.458 7.005 2.686 1.00 0.00 O ATOM 0 H GLU A 26 -4.675 2.680 0.942 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.531 2.335 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.802 4.485 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.783 4.562 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.297 4.614 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.333 4.501 2.801 1.00 0.00 H new ATOM 403 N LEU A 27 -7.859 2.436 -0.113 1.00 0.00 N ATOM 404 CA LEU A 27 -9.054 2.089 -0.824 1.00 0.00 C ATOM 405 C LEU A 27 -9.301 0.660 -0.746 1.00 0.00 C ATOM 406 O LEU A 27 -10.428 0.276 -0.710 1.00 0.00 O ATOM 407 CB LEU A 27 -9.037 2.426 -2.264 1.00 0.00 C ATOM 408 CG LEU A 27 -8.894 3.936 -2.474 1.00 0.00 C ATOM 409 CD1 LEU A 27 -8.802 4.233 -3.972 1.00 0.00 C ATOM 410 CD2 LEU A 27 -10.100 4.657 -1.890 1.00 0.00 C ATOM 0 H LEU A 27 -7.068 2.715 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.830 2.680 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.212 1.908 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.956 2.076 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.991 4.284 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.700 5.307 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.935 3.723 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.706 3.880 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.991 5.731 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.007 4.310 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.167 4.448 -0.822 1.00 0.00 H new ATOM 422 N TYR A 28 -8.268 -0.152 -0.756 1.00 0.00 N ATOM 423 CA TYR A 28 -8.525 -1.544 -0.699 1.00 0.00 C ATOM 424 C TYR A 28 -9.669 -1.759 0.300 1.00 0.00 C ATOM 425 O TYR A 28 -10.723 -2.157 -0.081 1.00 0.00 O ATOM 426 CB TYR A 28 -7.294 -2.357 -0.339 1.00 0.00 C ATOM 427 CG TYR A 28 -6.854 -3.129 -1.555 1.00 0.00 C ATOM 428 CD1 TYR A 28 -6.590 -2.455 -2.754 1.00 0.00 C ATOM 429 CD2 TYR A 28 -6.720 -4.516 -1.492 1.00 0.00 C ATOM 430 CE1 TYR A 28 -6.196 -3.172 -3.885 1.00 0.00 C ATOM 431 CE2 TYR A 28 -6.323 -5.231 -2.625 1.00 0.00 C ATOM 432 CZ TYR A 28 -6.064 -4.561 -3.818 1.00 0.00 C ATOM 433 OH TYR A 28 -5.678 -5.272 -4.928 1.00 0.00 O ATOM 0 H TYR A 28 -7.287 0.125 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.812 -1.902 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.494 -1.700 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.518 -3.039 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.691 -1.381 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.923 -5.037 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.994 -2.654 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.217 -6.305 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.275 -6.040 -5.048 1.00 0.00 H new ATOM 443 N SER A 29 -9.524 -1.302 1.527 1.00 0.00 N ATOM 444 CA SER A 29 -10.646 -1.367 2.483 1.00 0.00 C ATOM 445 C SER A 29 -11.894 -0.688 1.929 1.00 0.00 C ATOM 446 O SER A 29 -12.986 -1.235 2.037 1.00 0.00 O ATOM 447 CB SER A 29 -10.292 -0.648 3.777 1.00 0.00 C ATOM 448 OG SER A 29 -9.354 -1.417 4.495 1.00 0.00 O ATOM 0 H SER A 29 -8.667 -0.888 1.894 1.00 0.00 H new ATOM 0 HA SER A 29 -10.838 -2.425 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.881 0.337 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.188 -0.493 4.377 1.00 0.00 H new ATOM 0 HG SER A 29 -9.162 -2.242 4.003 1.00 0.00 H new ATOM 454 N LEU A 30 -11.746 0.486 1.323 1.00 0.00 N ATOM 455 CA LEU A 30 -12.913 1.149 0.762 1.00 0.00 C ATOM 456 C LEU A 30 -13.581 0.191 -0.209 1.00 0.00 C ATOM 457 O LEU A 30 -14.664 -0.328 0.061 1.00 0.00 O ATOM 458 CB LEU A 30 -12.524 2.451 0.055 1.00 0.00 C ATOM 459 CG LEU A 30 -13.776 3.059 -0.612 1.00 0.00 C ATOM 460 CD1 LEU A 30 -14.827 3.367 0.462 1.00 0.00 C ATOM 461 CD2 LEU A 30 -13.408 4.359 -1.350 1.00 0.00 C ATOM 0 H LEU A 30 -10.862 0.982 1.211 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.603 1.414 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.100 3.155 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.756 2.257 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.177 2.343 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.712 3.797 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.101 2.447 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.416 4.077 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.300 4.778 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.999 5.077 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.665 4.144 -2.118 1.00 0.00 H new ATOM 473 N GLU A 31 -12.910 -0.076 -1.317 1.00 0.00 N ATOM 474 CA GLU A 31 -13.428 -1.011 -2.286 1.00 0.00 C ATOM 475 C GLU A 31 -13.619 -2.392 -1.581 1.00 0.00 C ATOM 476 O GLU A 31 -14.658 -2.613 -0.979 1.00 0.00 O ATOM 477 CB GLU A 31 -12.494 -1.100 -3.521 1.00 0.00 C ATOM 478 CG GLU A 31 -11.023 -0.906 -3.136 1.00 0.00 C ATOM 479 CD GLU A 31 -10.119 -1.411 -4.256 1.00 0.00 C ATOM 480 OE1 GLU A 31 -10.138 -2.603 -4.514 1.00 0.00 O ATOM 481 OE2 GLU A 31 -9.420 -0.598 -4.839 1.00 0.00 O ATOM 0 H GLU A 31 -12.012 0.341 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.394 -0.673 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.619 -2.070 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.782 -0.343 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.825 0.149 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.806 -1.443 -2.213 1.00 0.00 H new ATOM 488 N LYS A 32 -12.549 -3.237 -1.600 1.00 0.00 N ATOM 489 CA LYS A 32 -12.494 -4.551 -0.851 1.00 0.00 C ATOM 490 C LYS A 32 -13.658 -4.688 0.128 1.00 0.00 C ATOM 491 O LYS A 32 -14.427 -5.648 0.086 1.00 0.00 O ATOM 492 CB LYS A 32 -11.182 -4.691 -0.063 1.00 0.00 C ATOM 493 CG LYS A 32 -9.986 -4.578 -1.017 1.00 0.00 C ATOM 494 CD LYS A 32 -9.544 -5.978 -1.467 1.00 0.00 C ATOM 495 CE LYS A 32 -8.921 -6.744 -0.290 1.00 0.00 C ATOM 496 NZ LYS A 32 -8.247 -7.971 -0.802 1.00 0.00 N ATOM 0 H LYS A 32 -11.699 -3.039 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.557 -5.337 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.123 -3.917 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.158 -5.651 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.257 -3.976 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.160 -4.068 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.400 -6.529 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.822 -5.895 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.203 -6.111 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.692 -7.013 0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.140 -8.657 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.821 -8.391 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.309 -7.722 -1.175 1.00 0.00 H new ATOM 510 N ASN A 33 -13.727 -3.675 1.036 1.00 0.00 N ATOM 511 CA ASN A 33 -14.748 -3.578 2.096 1.00 0.00 C ATOM 512 C ASN A 33 -14.429 -4.478 3.289 1.00 0.00 C ATOM 513 O ASN A 33 -15.334 -4.892 4.015 1.00 0.00 O ATOM 514 CB ASN A 33 -16.165 -3.881 1.555 1.00 0.00 C ATOM 515 CG ASN A 33 -16.903 -2.574 1.270 1.00 0.00 C ATOM 516 OD1 ASN A 33 -17.423 -1.942 2.189 1.00 0.00 O ATOM 517 ND2 ASN A 33 -16.976 -2.125 0.047 1.00 0.00 N ATOM 0 H ASN A 33 -13.065 -2.899 1.045 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.730 -2.546 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.097 -4.476 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.722 -4.473 2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.464 -1.251 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.545 -2.648 -0.715 1.00 0.00 H new ATOM 524 N GLU A 34 -13.142 -4.783 3.505 1.00 0.00 N ATOM 525 CA GLU A 34 -12.765 -5.634 4.628 1.00 0.00 C ATOM 526 C GLU A 34 -11.697 -4.961 5.495 1.00 0.00 C ATOM 527 O GLU A 34 -12.012 -4.360 6.522 1.00 0.00 O ATOM 528 CB GLU A 34 -12.234 -6.972 4.109 1.00 0.00 C ATOM 529 CG GLU A 34 -13.382 -7.782 3.507 1.00 0.00 C ATOM 530 CD GLU A 34 -12.834 -9.028 2.822 1.00 0.00 C ATOM 531 OE1 GLU A 34 -11.629 -9.099 2.642 1.00 0.00 O ATOM 532 OE2 GLU A 34 -13.625 -9.891 2.484 1.00 0.00 O ATOM 0 H GLU A 34 -12.365 -4.459 2.929 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.651 -5.801 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.463 -6.802 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.769 -7.530 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.087 -8.066 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.931 -7.173 2.789 1.00 0.00 H new ATOM 539 N ASP A 35 -10.435 -5.074 5.075 1.00 0.00 N ATOM 540 CA ASP A 35 -9.326 -4.483 5.824 1.00 0.00 C ATOM 541 C ASP A 35 -7.997 -4.668 5.054 1.00 0.00 C ATOM 542 O ASP A 35 -7.918 -4.272 3.894 1.00 0.00 O ATOM 543 CB ASP A 35 -9.262 -5.109 7.223 1.00 0.00 C ATOM 544 CG ASP A 35 -9.085 -6.621 7.117 1.00 0.00 C ATOM 545 OD1 ASP A 35 -8.982 -7.109 6.004 1.00 0.00 O ATOM 546 OD2 ASP A 35 -9.058 -7.269 8.150 1.00 0.00 O ATOM 0 H ASP A 35 -10.157 -5.566 4.226 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.490 -3.411 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.434 -4.677 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.174 -4.880 7.774 1.00 0.00 H new ATOM 551 N ALA A 36 -6.965 -5.254 5.732 1.00 0.00 N ATOM 552 CA ALA A 36 -5.609 -5.464 5.175 1.00 0.00 C ATOM 553 C ALA A 36 -5.282 -4.527 4.052 1.00 0.00 C ATOM 554 O ALA A 36 -5.830 -3.462 3.977 1.00 0.00 O ATOM 555 CB ALA A 36 -5.578 -6.836 4.552 1.00 0.00 C ATOM 0 H ALA A 36 -7.061 -5.594 6.689 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.905 -5.315 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.590 -7.022 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.796 -7.586 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.326 -6.893 3.761 1.00 0.00 H new ATOM 561 N SER A 37 -4.346 -4.936 3.186 1.00 0.00 N ATOM 562 CA SER A 37 -3.963 -4.118 2.077 1.00 0.00 C ATOM 563 C SER A 37 -2.740 -4.659 1.382 1.00 0.00 C ATOM 564 O SER A 37 -2.859 -5.320 0.394 1.00 0.00 O ATOM 565 CB SER A 37 -3.685 -2.705 2.519 1.00 0.00 C ATOM 566 OG SER A 37 -3.406 -2.683 3.909 1.00 0.00 O ATOM 0 H SER A 37 -3.854 -5.827 3.249 1.00 0.00 H new ATOM 0 HA SER A 37 -4.800 -4.126 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.840 -2.300 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.544 -2.070 2.301 1.00 0.00 H new ATOM 0 HG SER A 37 -4.229 -2.491 4.405 1.00 0.00 H new ATOM 572 N LEU A 38 -1.577 -4.385 1.951 1.00 0.00 N ATOM 573 CA LEU A 38 -0.329 -4.836 1.372 1.00 0.00 C ATOM 574 C LEU A 38 -0.437 -6.178 0.730 1.00 0.00 C ATOM 575 O LEU A 38 -0.481 -6.277 -0.485 1.00 0.00 O ATOM 576 CB LEU A 38 0.768 -4.912 2.414 1.00 0.00 C ATOM 577 CG LEU A 38 1.161 -3.520 2.812 1.00 0.00 C ATOM 578 CD1 LEU A 38 2.109 -3.554 4.035 1.00 0.00 C ATOM 579 CD2 LEU A 38 1.841 -2.834 1.619 1.00 0.00 C ATOM 0 H LEU A 38 -1.475 -3.852 2.814 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.085 -4.096 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.422 -5.469 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.630 -5.447 2.015 1.00 0.00 H new ATOM 0 HG LEU A 38 0.272 -2.956 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.384 -2.536 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.604 -4.033 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.008 -4.117 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.131 -1.821 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.728 -3.399 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.148 -2.794 0.779 1.00 0.00 H new ATOM 591 N ARG A 39 -0.419 -7.201 1.536 1.00 0.00 N ATOM 592 CA ARG A 39 -0.431 -8.543 1.019 1.00 0.00 C ATOM 593 C ARG A 39 -1.458 -8.699 -0.056 1.00 0.00 C ATOM 594 O ARG A 39 -1.279 -9.511 -0.939 1.00 0.00 O ATOM 595 CB ARG A 39 -0.616 -9.559 2.146 1.00 0.00 C ATOM 596 CG ARG A 39 0.144 -9.039 3.387 1.00 0.00 C ATOM 597 CD ARG A 39 0.738 -10.179 4.201 1.00 0.00 C ATOM 598 NE ARG A 39 -0.315 -10.917 4.891 1.00 0.00 N ATOM 599 CZ ARG A 39 -0.043 -11.992 5.637 1.00 0.00 C ATOM 600 NH1 ARG A 39 1.189 -12.418 5.769 1.00 0.00 N ATOM 601 NH2 ARG A 39 -1.014 -12.623 6.240 1.00 0.00 N ATOM 0 H ARG A 39 -0.396 -7.133 2.554 1.00 0.00 H new ATOM 0 HA ARG A 39 0.538 -8.742 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.674 -9.687 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.234 -10.535 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.940 -8.365 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.535 -8.460 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.292 -10.851 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.449 -9.784 4.927 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.282 -10.605 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.951 -11.928 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.386 -13.239 6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.975 -12.295 6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.812 -13.444 6.811 1.00 0.00 H new ATOM 615 N LYS A 40 -2.543 -7.958 0.030 1.00 0.00 N ATOM 616 CA LYS A 40 -3.596 -8.064 -0.954 1.00 0.00 C ATOM 617 C LYS A 40 -3.293 -7.265 -2.242 1.00 0.00 C ATOM 618 O LYS A 40 -3.381 -7.805 -3.321 1.00 0.00 O ATOM 619 CB LYS A 40 -4.832 -7.573 -0.333 1.00 0.00 C ATOM 620 CG LYS A 40 -5.561 -8.746 0.323 1.00 0.00 C ATOM 621 CD LYS A 40 -4.633 -9.391 1.358 1.00 0.00 C ATOM 622 CE LYS A 40 -5.414 -10.406 2.194 1.00 0.00 C ATOM 623 NZ LYS A 40 -4.500 -11.043 3.185 1.00 0.00 N ATOM 0 H LYS A 40 -2.717 -7.278 0.770 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.689 -9.106 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.602 -6.810 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.470 -7.106 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.477 -8.400 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.852 -9.478 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.800 -9.884 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.207 -8.625 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.238 -9.912 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.852 -11.166 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.031 -11.733 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.728 -11.528 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.102 -10.313 3.810 1.00 0.00 H new ATOM 637 N LEU A 41 -2.949 -5.979 -2.128 1.00 0.00 N ATOM 638 CA LEU A 41 -2.637 -5.209 -3.331 1.00 0.00 C ATOM 639 C LEU A 41 -1.560 -6.004 -4.034 1.00 0.00 C ATOM 640 O LEU A 41 -1.595 -6.207 -5.242 1.00 0.00 O ATOM 641 CB LEU A 41 -2.130 -3.768 -3.053 1.00 0.00 C ATOM 642 CG LEU A 41 -2.195 -3.402 -1.567 1.00 0.00 C ATOM 643 CD1 LEU A 41 -1.415 -2.114 -1.338 1.00 0.00 C ATOM 644 CD2 LEU A 41 -3.660 -3.195 -1.131 1.00 0.00 C ATOM 0 H LEU A 41 -2.881 -5.466 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.543 -5.072 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.102 -3.674 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.728 -3.059 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.763 -4.212 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.456 -1.846 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.376 -2.260 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.853 -1.313 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.691 -2.935 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.103 -2.389 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.222 -4.114 -1.296 1.00 0.00 H new ATOM 656 N GLN A 42 -0.644 -6.518 -3.212 1.00 0.00 N ATOM 657 CA GLN A 42 0.427 -7.387 -3.652 1.00 0.00 C ATOM 658 C GLN A 42 -0.164 -8.668 -4.170 1.00 0.00 C ATOM 659 O GLN A 42 0.320 -9.268 -5.126 1.00 0.00 O ATOM 660 CB GLN A 42 1.291 -7.694 -2.452 1.00 0.00 C ATOM 661 CG GLN A 42 2.158 -6.523 -2.163 1.00 0.00 C ATOM 662 CD GLN A 42 2.133 -6.255 -0.687 1.00 0.00 C ATOM 663 OE1 GLN A 42 1.851 -5.137 -0.275 1.00 0.00 O ATOM 664 NE2 GLN A 42 2.385 -7.217 0.148 1.00 0.00 N ATOM 0 H GLN A 42 -0.633 -6.334 -2.209 1.00 0.00 H new ATOM 0 HA GLN A 42 1.013 -6.912 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.667 -7.922 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.902 -8.576 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.178 -6.718 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.807 -5.649 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.619 -8.147 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.349 -7.043 1.152 1.00 0.00 H new ATOM 673 N ALA A 43 -1.196 -9.098 -3.483 1.00 0.00 N ATOM 674 CA ALA A 43 -1.838 -10.340 -3.855 1.00 0.00 C ATOM 675 C ALA A 43 -2.238 -10.240 -5.313 1.00 0.00 C ATOM 676 O ALA A 43 -1.982 -11.130 -6.123 1.00 0.00 O ATOM 677 CB ALA A 43 -3.087 -10.612 -3.075 1.00 0.00 C ATOM 0 H ALA A 43 -1.604 -8.619 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.130 -11.144 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.521 -11.557 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.848 -10.669 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.803 -9.807 -3.242 1.00 0.00 H new ATOM 683 N ASP A 44 -2.815 -9.083 -5.631 1.00 0.00 N ATOM 684 CA ASP A 44 -3.207 -8.747 -6.983 1.00 0.00 C ATOM 685 C ASP A 44 -1.959 -8.355 -7.753 1.00 0.00 C ATOM 686 O ASP A 44 -1.904 -8.425 -8.981 1.00 0.00 O ATOM 687 CB ASP A 44 -4.205 -7.598 -6.947 1.00 0.00 C ATOM 688 CG ASP A 44 -5.556 -8.104 -6.447 1.00 0.00 C ATOM 689 OD1 ASP A 44 -5.716 -9.310 -6.356 1.00 0.00 O ATOM 690 OD2 ASP A 44 -6.413 -7.282 -6.176 1.00 0.00 O ATOM 0 H ASP A 44 -3.021 -8.354 -4.949 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.683 -9.596 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.838 -6.806 -6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.313 -7.167 -7.942 1.00 0.00 H new ATOM 695 N GLY A 45 -0.939 -8.005 -6.982 1.00 0.00 N ATOM 696 CA GLY A 45 0.355 -7.667 -7.500 1.00 0.00 C ATOM 697 C GLY A 45 0.517 -6.219 -7.931 1.00 0.00 C ATOM 698 O GLY A 45 1.594 -5.872 -8.415 1.00 0.00 O ATOM 0 H GLY A 45 -1.001 -7.951 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.103 -7.890 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.567 -8.310 -8.354 1.00 0.00 H new ATOM 702 N ARG A 46 -0.499 -5.348 -7.738 1.00 0.00 N ATOM 703 CA ARG A 46 -0.342 -3.928 -8.095 1.00 0.00 C ATOM 704 C ARG A 46 1.039 -3.479 -7.707 1.00 0.00 C ATOM 705 O ARG A 46 1.873 -3.155 -8.551 1.00 0.00 O ATOM 706 CB ARG A 46 -1.366 -3.091 -7.336 1.00 0.00 C ATOM 707 CG ARG A 46 -2.772 -3.593 -7.646 1.00 0.00 C ATOM 708 CD ARG A 46 -3.586 -3.584 -6.367 1.00 0.00 C ATOM 709 NE ARG A 46 -4.170 -2.267 -6.150 1.00 0.00 N ATOM 710 CZ ARG A 46 -5.148 -1.798 -6.933 1.00 0.00 C ATOM 711 NH1 ARG A 46 -5.607 -2.514 -7.930 1.00 0.00 N ATOM 712 NH2 ARG A 46 -5.657 -0.620 -6.699 1.00 0.00 N ATOM 0 H ARG A 46 -1.409 -5.597 -7.349 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.493 -3.803 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.176 -3.151 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.274 -2.042 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.242 -2.959 -8.397 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.731 -4.600 -8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.375 -4.334 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.952 -3.852 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.825 -1.689 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.218 -3.439 -8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.353 -2.147 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.309 -0.060 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.403 -0.259 -7.294 1.00 0.00 H new ATOM 726 N ILE A 47 1.289 -3.524 -6.402 1.00 0.00 N ATOM 727 CA ILE A 47 2.583 -3.187 -5.892 1.00 0.00 C ATOM 728 C ILE A 47 3.295 -4.455 -5.570 1.00 0.00 C ATOM 729 O ILE A 47 2.875 -5.244 -4.726 1.00 0.00 O ATOM 730 CB ILE A 47 2.498 -2.250 -4.687 1.00 0.00 C ATOM 731 CG1 ILE A 47 1.862 -2.917 -3.483 1.00 0.00 C ATOM 732 CG2 ILE A 47 1.663 -1.046 -5.075 1.00 0.00 C ATOM 733 CD1 ILE A 47 1.962 -1.961 -2.294 1.00 0.00 C ATOM 0 H ILE A 47 0.606 -3.791 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 47 3.144 -2.635 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 47 3.512 -1.963 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.819 -3.158 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.368 -3.856 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.591 -0.365 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.133 -0.533 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.664 -1.374 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.509 -2.423 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.010 -1.743 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.438 -1.034 -2.527 1.00 0.00 H new ATOM 745 N THR A 48 4.364 -4.672 -6.272 1.00 0.00 N ATOM 746 CA THR A 48 5.122 -5.854 -6.074 1.00 0.00 C ATOM 747 C THR A 48 5.671 -5.828 -4.671 1.00 0.00 C ATOM 748 O THR A 48 5.407 -4.892 -3.928 1.00 0.00 O ATOM 749 CB THR A 48 6.206 -5.927 -7.135 1.00 0.00 C ATOM 750 OG1 THR A 48 6.858 -7.187 -7.062 1.00 0.00 O ATOM 751 CG2 THR A 48 7.235 -4.798 -6.955 1.00 0.00 C ATOM 0 H THR A 48 4.726 -4.041 -6.987 1.00 0.00 H new ATOM 0 HA THR A 48 4.514 -6.752 -6.178 1.00 0.00 H new ATOM 0 HB THR A 48 5.739 -5.809 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.556 -7.234 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.999 -4.875 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.734 -3.833 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.702 -4.884 -5.974 1.00 0.00 H new ATOM 759 N GLU A 49 6.407 -6.835 -4.290 1.00 0.00 N ATOM 760 CA GLU A 49 6.930 -6.871 -2.940 1.00 0.00 C ATOM 761 C GLU A 49 8.141 -5.978 -2.799 1.00 0.00 C ATOM 762 O GLU A 49 8.740 -5.908 -1.744 1.00 0.00 O ATOM 763 CB GLU A 49 7.294 -8.305 -2.550 1.00 0.00 C ATOM 764 CG GLU A 49 6.020 -9.147 -2.454 1.00 0.00 C ATOM 765 CD GLU A 49 6.376 -10.594 -2.131 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.555 -10.909 -2.140 1.00 0.00 O ATOM 767 OE2 GLU A 49 5.466 -11.365 -1.878 1.00 0.00 O ATOM 0 H GLU A 49 6.658 -7.630 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 49 6.153 -6.502 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.971 -8.733 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.820 -8.311 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.365 -8.744 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.471 -9.100 -3.394 1.00 0.00 H new ATOM 774 N GLU A 50 8.513 -5.296 -3.855 1.00 0.00 N ATOM 775 CA GLU A 50 9.666 -4.428 -3.764 1.00 0.00 C ATOM 776 C GLU A 50 9.356 -3.198 -2.909 1.00 0.00 C ATOM 777 O GLU A 50 10.077 -2.891 -1.953 1.00 0.00 O ATOM 778 CB GLU A 50 10.083 -3.990 -5.164 1.00 0.00 C ATOM 779 CG GLU A 50 10.689 -5.177 -5.911 1.00 0.00 C ATOM 780 CD GLU A 50 10.932 -4.803 -7.368 1.00 0.00 C ATOM 781 OE1 GLU A 50 10.427 -3.776 -7.788 1.00 0.00 O ATOM 782 OE2 GLU A 50 11.618 -5.550 -8.044 1.00 0.00 O ATOM 0 H GLU A 50 8.051 -5.321 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 50 10.480 -4.978 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.220 -3.606 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.807 -3.178 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.627 -5.473 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.019 -6.035 -5.853 1.00 0.00 H new ATOM 789 N GLN A 51 8.265 -2.510 -3.232 1.00 0.00 N ATOM 790 CA GLN A 51 7.874 -1.350 -2.489 1.00 0.00 C ATOM 791 C GLN A 51 6.996 -1.743 -1.350 1.00 0.00 C ATOM 792 O GLN A 51 7.051 -1.138 -0.289 1.00 0.00 O ATOM 793 CB GLN A 51 7.145 -0.346 -3.389 1.00 0.00 C ATOM 794 CG GLN A 51 6.118 -1.069 -4.265 1.00 0.00 C ATOM 795 CD GLN A 51 5.093 -0.074 -4.788 1.00 0.00 C ATOM 796 OE1 GLN A 51 4.872 0.972 -4.177 1.00 0.00 O ATOM 797 NE2 GLN A 51 4.447 -0.338 -5.886 1.00 0.00 N ATOM 0 H GLN A 51 7.645 -2.748 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 51 8.774 -0.874 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.647 0.406 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.864 0.179 -4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.620 -1.560 -5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.620 -1.849 -3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.632 -1.205 -6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.756 0.322 -6.242 1.00 0.00 H new ATOM 806 N ALA A 52 6.156 -2.750 -1.569 1.00 0.00 N ATOM 807 CA ALA A 52 5.265 -3.194 -0.563 1.00 0.00 C ATOM 808 C ALA A 52 5.998 -3.754 0.572 1.00 0.00 C ATOM 809 O ALA A 52 5.652 -3.498 1.708 1.00 0.00 O ATOM 810 CB ALA A 52 4.361 -4.230 -1.118 1.00 0.00 C ATOM 0 H ALA A 52 6.092 -3.262 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 52 4.684 -2.338 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.676 -4.570 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.790 -3.809 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.951 -5.074 -1.476 1.00 0.00 H new ATOM 816 N LYS A 53 7.025 -4.528 0.298 1.00 0.00 N ATOM 817 CA LYS A 53 7.749 -5.066 1.374 1.00 0.00 C ATOM 818 C LYS A 53 8.387 -3.932 2.096 1.00 0.00 C ATOM 819 O LYS A 53 8.442 -3.906 3.324 1.00 0.00 O ATOM 820 CB LYS A 53 8.785 -6.076 0.954 1.00 0.00 C ATOM 821 CG LYS A 53 9.293 -6.715 2.219 1.00 0.00 C ATOM 822 CD LYS A 53 9.892 -8.087 1.911 1.00 0.00 C ATOM 823 CE LYS A 53 10.473 -8.688 3.190 1.00 0.00 C ATOM 824 NZ LYS A 53 9.381 -8.890 4.185 1.00 0.00 N ATOM 0 H LYS A 53 7.352 -4.779 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 53 7.059 -5.612 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.352 -6.823 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.597 -5.595 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.046 -6.076 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.479 -6.818 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.126 -8.746 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.671 -7.994 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.959 -9.638 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.236 -8.027 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.619 -9.691 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.270 -8.030 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.490 -9.091 3.687 1.00 0.00 H new ATOM 838 N ALA A 54 8.844 -2.957 1.321 1.00 0.00 N ATOM 839 CA ALA A 54 9.439 -1.803 1.912 1.00 0.00 C ATOM 840 C ALA A 54 8.406 -1.175 2.824 1.00 0.00 C ATOM 841 O ALA A 54 8.731 -0.714 3.909 1.00 0.00 O ATOM 842 CB ALA A 54 9.858 -0.801 0.827 1.00 0.00 C ATOM 0 H ALA A 54 8.808 -2.956 0.302 1.00 0.00 H new ATOM 0 HA ALA A 54 10.331 -2.082 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.310 0.074 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.580 -1.269 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.981 -0.495 0.256 1.00 0.00 H new ATOM 848 N TYR A 55 7.146 -1.150 2.380 1.00 0.00 N ATOM 849 CA TYR A 55 6.121 -0.562 3.205 1.00 0.00 C ATOM 850 C TYR A 55 5.842 -1.404 4.412 1.00 0.00 C ATOM 851 O TYR A 55 5.612 -0.889 5.487 1.00 0.00 O ATOM 852 CB TYR A 55 4.851 -0.322 2.470 1.00 0.00 C ATOM 853 CG TYR A 55 3.982 0.448 3.401 1.00 0.00 C ATOM 854 CD1 TYR A 55 4.259 1.794 3.643 1.00 0.00 C ATOM 855 CD2 TYR A 55 2.943 -0.183 4.064 1.00 0.00 C ATOM 856 CE1 TYR A 55 3.494 2.513 4.556 1.00 0.00 C ATOM 857 CE2 TYR A 55 2.166 0.531 4.971 1.00 0.00 C ATOM 858 CZ TYR A 55 2.446 1.886 5.222 1.00 0.00 C ATOM 859 OH TYR A 55 1.692 2.594 6.135 1.00 0.00 O ATOM 0 H TYR A 55 6.831 -1.520 1.483 1.00 0.00 H new ATOM 0 HA TYR A 55 6.515 0.405 3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.031 0.236 1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.381 -1.263 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.070 2.279 3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.736 -1.227 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.713 3.553 4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.348 0.045 5.482 1.00 0.00 H new ATOM 0 HH TYR A 55 1.721 3.548 5.913 1.00 0.00 H new ATOM 869 N LYS A 56 5.863 -2.700 4.230 1.00 0.00 N ATOM 870 CA LYS A 56 5.626 -3.600 5.321 1.00 0.00 C ATOM 871 C LYS A 56 6.597 -3.234 6.424 1.00 0.00 C ATOM 872 O LYS A 56 6.275 -3.267 7.608 1.00 0.00 O ATOM 873 CB LYS A 56 5.859 -5.035 4.852 1.00 0.00 C ATOM 874 CG LYS A 56 4.611 -5.889 5.116 1.00 0.00 C ATOM 875 CD LYS A 56 4.891 -7.338 4.708 1.00 0.00 C ATOM 876 CE LYS A 56 3.652 -8.195 4.976 1.00 0.00 C ATOM 877 NZ LYS A 56 3.926 -9.604 4.576 1.00 0.00 N ATOM 0 H LYS A 56 6.042 -3.153 3.334 1.00 0.00 H new ATOM 0 HA LYS A 56 4.601 -3.525 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.096 -5.044 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.717 -5.461 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.341 -5.842 6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.764 -5.498 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.156 -7.384 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.742 -7.726 5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.388 -8.151 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.800 -7.806 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.507 -10.251 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.509 -9.787 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.953 -9.759 4.533 1.00 0.00 H new ATOM 891 N GLU A 57 7.779 -2.815 5.993 1.00 0.00 N ATOM 892 CA GLU A 57 8.811 -2.358 6.889 1.00 0.00 C ATOM 893 C GLU A 57 8.472 -0.957 7.435 1.00 0.00 C ATOM 894 O GLU A 57 8.766 -0.618 8.575 1.00 0.00 O ATOM 895 CB GLU A 57 10.137 -2.310 6.162 1.00 0.00 C ATOM 896 CG GLU A 57 11.244 -1.895 7.133 1.00 0.00 C ATOM 897 CD GLU A 57 12.588 -1.884 6.415 1.00 0.00 C ATOM 898 OE1 GLU A 57 12.609 -2.184 5.232 1.00 0.00 O ATOM 899 OE2 GLU A 57 13.578 -1.574 7.057 1.00 0.00 O ATOM 0 H GLU A 57 8.041 -2.786 5.008 1.00 0.00 H new ATOM 0 HA GLU A 57 8.878 -3.055 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.363 -3.286 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.083 -1.603 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.031 -0.906 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.278 -2.585 7.976 1.00 0.00 H new ATOM 906 N TYR A 58 7.843 -0.150 6.594 1.00 0.00 N ATOM 907 CA TYR A 58 7.472 1.200 6.997 1.00 0.00 C ATOM 908 C TYR A 58 6.421 1.175 8.088 1.00 0.00 C ATOM 909 O TYR A 58 6.534 1.883 9.088 1.00 0.00 O ATOM 910 CB TYR A 58 6.950 2.053 5.819 1.00 0.00 C ATOM 911 CG TYR A 58 8.132 2.651 5.072 1.00 0.00 C ATOM 912 CD1 TYR A 58 8.570 2.098 3.862 1.00 0.00 C ATOM 913 CD2 TYR A 58 8.792 3.765 5.605 1.00 0.00 C ATOM 914 CE1 TYR A 58 9.662 2.658 3.187 1.00 0.00 C ATOM 915 CE2 TYR A 58 9.883 4.326 4.931 1.00 0.00 C ATOM 916 CZ TYR A 58 10.319 3.772 3.721 1.00 0.00 C ATOM 917 OH TYR A 58 11.396 4.324 3.056 1.00 0.00 O ATOM 0 H TYR A 58 7.581 -0.401 5.641 1.00 0.00 H new ATOM 0 HA TYR A 58 8.386 1.660 7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.353 1.438 5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.299 2.846 6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.065 1.238 3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.458 4.193 6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.997 2.230 2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.389 5.186 5.344 1.00 0.00 H new ATOM 0 HH TYR A 58 11.735 5.091 3.563 1.00 0.00 H new ATOM 927 N HIS A 59 5.392 0.362 7.892 1.00 0.00 N ATOM 928 CA HIS A 59 4.324 0.270 8.882 1.00 0.00 C ATOM 929 C HIS A 59 4.657 -0.695 10.001 1.00 0.00 C ATOM 930 O HIS A 59 4.910 -0.309 11.142 1.00 0.00 O ATOM 931 CB HIS A 59 3.014 -0.145 8.218 1.00 0.00 C ATOM 932 CG HIS A 59 1.921 -0.188 9.249 1.00 0.00 C ATOM 933 ND1 HIS A 59 1.628 -1.334 9.969 1.00 0.00 N ATOM 934 CD2 HIS A 59 1.043 0.769 9.694 1.00 0.00 C ATOM 935 CE1 HIS A 59 0.610 -1.042 10.801 1.00 0.00 C ATOM 936 NE2 HIS A 59 0.218 0.228 10.673 1.00 0.00 N ATOM 0 H HIS A 59 5.273 -0.234 7.073 1.00 0.00 H new ATOM 0 HA HIS A 59 4.215 1.262 9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.755 0.560 7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.125 -1.123 7.749 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.098 -2.235 9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.000 1.788 9.337 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.166 -1.748 11.487 1.00 0.00 H new ATOM 945 N ASP A 60 4.620 -1.962 9.638 1.00 0.00 N ATOM 946 CA ASP A 60 4.878 -3.046 10.560 1.00 0.00 C ATOM 947 C ASP A 60 6.334 -3.158 10.909 1.00 0.00 C ATOM 948 O ASP A 60 6.674 -3.776 11.915 1.00 0.00 O ATOM 949 CB ASP A 60 4.493 -4.363 9.927 1.00 0.00 C ATOM 950 CG ASP A 60 3.023 -4.355 9.521 1.00 0.00 C ATOM 951 OD1 ASP A 60 2.202 -4.002 10.351 1.00 0.00 O ATOM 952 OD2 ASP A 60 2.739 -4.705 8.387 1.00 0.00 O ATOM 0 H ASP A 60 4.409 -2.268 8.688 1.00 0.00 H new ATOM 0 HA ASP A 60 4.295 -2.832 11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.116 -4.548 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.678 -5.177 10.628 1.00 0.00 H new ATOM 957 N LYS A 61 7.209 -2.683 10.016 1.00 0.00 N ATOM 958 CA LYS A 61 8.603 -2.887 10.230 1.00 0.00 C ATOM 959 C LYS A 61 8.830 -4.373 10.097 1.00 0.00 C ATOM 960 O LYS A 61 9.505 -5.024 10.895 1.00 0.00 O ATOM 961 CB LYS A 61 9.053 -2.339 11.551 1.00 0.00 C ATOM 962 CG LYS A 61 10.560 -2.372 11.555 1.00 0.00 C ATOM 963 CD LYS A 61 11.081 -2.446 12.993 1.00 0.00 C ATOM 964 CE LYS A 61 10.785 -1.132 13.717 1.00 0.00 C ATOM 965 NZ LYS A 61 11.357 -1.183 15.094 1.00 0.00 N ATOM 0 H LYS A 61 6.964 -2.172 9.168 1.00 0.00 H new ATOM 0 HA LYS A 61 9.203 -2.346 9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.690 -1.321 11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.653 -2.934 12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.914 -3.232 10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.952 -1.482 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.609 -3.276 13.519 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.154 -2.638 12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.213 -0.296 13.165 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.709 -0.965 13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.156 -0.289 15.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.928 -1.972 15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.386 -1.323 15.038 1.00 0.00 H new ATOM 979 N ASN A 62 8.206 -4.881 9.041 1.00 0.00 N ATOM 980 CA ASN A 62 8.234 -6.267 8.677 1.00 0.00 C ATOM 981 C ASN A 62 7.638 -7.136 9.781 1.00 0.00 C ATOM 982 O ASN A 62 7.986 -8.309 9.925 1.00 0.00 O ATOM 983 CB ASN A 62 9.664 -6.707 8.375 1.00 0.00 C ATOM 984 CG ASN A 62 9.648 -7.959 7.511 1.00 0.00 C ATOM 985 OD1 ASN A 62 8.670 -8.707 7.518 1.00 0.00 O ATOM 986 ND2 ASN A 62 10.675 -8.232 6.759 1.00 0.00 N ATOM 0 H ASN A 62 7.652 -4.310 8.403 1.00 0.00 H new ATOM 0 HA ASN A 62 7.628 -6.393 7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.199 -5.908 7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.198 -6.903 9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.671 -9.067 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.484 -7.611 6.755 1.00 0.00 H new ATOM 993 N GLY A 63 6.724 -6.551 10.541 1.00 0.00 N ATOM 994 CA GLY A 63 6.054 -7.266 11.623 1.00 0.00 C ATOM 995 C GLY A 63 5.250 -8.443 11.076 1.00 0.00 C ATOM 996 O GLY A 63 5.209 -9.515 11.681 1.00 0.00 O ATOM 0 H GLY A 63 6.427 -5.581 10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.792 -7.625 12.340 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.393 -6.586 12.160 1.00 0.00 H new ATOM 1000 N GLY A 64 4.605 -8.229 9.929 1.00 0.00 N ATOM 1001 CA GLY A 64 3.793 -9.273 9.309 1.00 0.00 C ATOM 1002 C GLY A 64 2.320 -9.142 9.703 1.00 0.00 C ATOM 1003 O GLY A 64 1.469 -9.874 9.199 1.00 0.00 O ATOM 0 H GLY A 64 4.629 -7.349 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.888 -9.214 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.166 -10.252 9.609 1.00 0.00 H new ATOM 1007 N ALA A 65 2.025 -8.206 10.602 1.00 0.00 N ATOM 1008 CA ALA A 65 0.654 -7.990 11.047 1.00 0.00 C ATOM 1009 C ALA A 65 -0.219 -7.472 9.904 1.00 0.00 C ATOM 1010 O ALA A 65 0.264 -6.801 8.994 1.00 0.00 O ATOM 1011 CB ALA A 65 0.629 -6.986 12.201 1.00 0.00 C ATOM 0 H ALA A 65 2.713 -7.589 11.033 1.00 0.00 H new ATOM 0 HA ALA A 65 0.255 -8.947 11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.400 -6.831 12.526 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.218 -7.373 13.032 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.051 -6.038 11.867 1.00 0.00 H new ATOM 1017 N ASN A 66 -1.507 -7.786 9.974 1.00 0.00 N ATOM 1018 CA ASN A 66 -2.459 -7.352 8.955 1.00 0.00 C ATOM 1019 C ASN A 66 -2.860 -5.892 9.181 1.00 0.00 C ATOM 1020 O ASN A 66 -2.334 -5.245 10.080 1.00 0.00 O ATOM 1021 CB ASN A 66 -3.705 -8.228 9.016 1.00 0.00 C ATOM 1022 CG ASN A 66 -4.342 -8.106 10.394 1.00 0.00 C ATOM 1023 OD1 ASN A 66 -3.801 -8.614 11.377 1.00 0.00 O ATOM 1024 ND2 ASN A 66 -5.444 -7.431 10.532 1.00 0.00 N ATOM 0 H ASN A 66 -1.918 -8.340 10.726 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.987 -7.442 7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.415 -7.924 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.443 -9.267 8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.862 -7.321 11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.890 -7.011 9.717 1.00 0.00 H new ATOM 1031 N ARG A 67 -3.774 -5.399 8.313 1.00 0.00 N ATOM 1032 CA ARG A 67 -4.282 -4.001 8.338 1.00 0.00 C ATOM 1033 C ARG A 67 -3.363 -3.126 7.591 1.00 0.00 C ATOM 1034 O ARG A 67 -3.762 -2.476 6.639 1.00 0.00 O ATOM 1035 CB ARG A 67 -4.390 -3.398 9.743 1.00 0.00 C ATOM 1036 CG ARG A 67 -4.368 -1.844 9.656 1.00 0.00 C ATOM 1037 CD ARG A 67 -5.577 -1.326 8.865 1.00 0.00 C ATOM 1038 NE ARG A 67 -6.742 -2.173 9.100 1.00 0.00 N ATOM 1039 CZ ARG A 67 -7.509 -2.030 10.185 1.00 0.00 C ATOM 1040 NH1 ARG A 67 -7.232 -1.123 11.087 1.00 0.00 N ATOM 1041 NH2 ARG A 67 -8.548 -2.804 10.346 1.00 0.00 N ATOM 0 H ARG A 67 -4.185 -5.962 7.568 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.279 -4.054 7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.311 -3.731 10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.564 -3.748 10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.375 -1.419 10.660 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.446 -1.515 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.800 -0.301 9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.342 -1.308 7.801 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.977 -2.894 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.422 -0.515 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.826 -1.025 11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.770 -3.512 9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.138 -2.701 11.172 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.129 -3.097 8.098 1.00 0.00 N ATOM 1056 CA LYS A 68 -1.052 -2.275 7.578 1.00 0.00 C ATOM 1057 C LYS A 68 -1.540 -0.918 7.116 1.00 0.00 C ATOM 1058 O LYS A 68 -1.298 0.076 7.802 1.00 0.00 O ATOM 1059 CB LYS A 68 -0.281 -2.980 6.483 1.00 0.00 C ATOM 1060 CG LYS A 68 -1.197 -3.836 5.599 1.00 0.00 C ATOM 1061 CD LYS A 68 -1.296 -5.279 6.120 1.00 0.00 C ATOM 1062 CE LYS A 68 0.067 -5.988 6.099 1.00 0.00 C ATOM 1063 NZ LYS A 68 -0.132 -7.448 6.331 1.00 0.00 N ATOM 0 H LYS A 68 -1.851 -3.661 8.901 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.365 -2.107 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.232 -2.241 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.487 -3.612 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.192 -3.391 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.816 -3.842 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.686 -5.272 7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.006 -5.838 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.560 -5.824 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.718 -5.572 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.574 -7.985 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.023 -7.657 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.087 -7.722 6.022 1.00 0.00 H new ATOM 1077 N VAL A 69 -2.226 -0.846 5.977 1.00 0.00 N ATOM 1078 CA VAL A 69 -2.701 0.419 5.531 1.00 0.00 C ATOM 1079 C VAL A 69 -4.098 0.351 5.062 1.00 0.00 C ATOM 1080 O VAL A 69 -4.348 0.172 3.877 1.00 0.00 O ATOM 1081 CB VAL A 69 -1.836 0.928 4.418 1.00 0.00 C ATOM 1082 CG1 VAL A 69 -0.684 1.689 5.013 1.00 0.00 C ATOM 1083 CG2 VAL A 69 -1.316 -0.267 3.607 1.00 0.00 C ATOM 0 H VAL A 69 -2.450 -1.638 5.375 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.660 1.098 6.383 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.404 1.587 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.045 2.066 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.064 2.526 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.106 1.028 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.685 0.092 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.734 -0.922 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.159 -0.821 3.194 1.00 0.00 H new ATOM 1093 N ASN A 70 -5.022 0.487 5.982 1.00 0.00 N ATOM 1094 CA ASN A 70 -6.397 0.417 5.609 1.00 0.00 C ATOM 1095 C ASN A 70 -7.288 0.589 6.815 1.00 0.00 C ATOM 1096 O ASN A 70 -6.834 1.079 7.843 1.00 0.00 O ATOM 1097 CB ASN A 70 -6.613 -0.916 4.943 1.00 0.00 C ATOM 1098 CG ASN A 70 -7.069 -0.701 3.527 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -7.660 0.321 3.205 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -6.837 -1.606 2.655 1.00 0.00 N ATOM 0 H ASN A 70 -4.844 0.644 6.974 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.653 1.222 4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.689 -1.494 4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.357 -1.493 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.144 -1.476 1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.344 -2.458 2.923 1.00 0.00 H new ATOM 1107 N ASP A 71 -8.561 0.207 6.691 1.00 0.00 N ATOM 1108 CA ASP A 71 -9.481 0.363 7.802 1.00 0.00 C ATOM 1109 C ASP A 71 -10.874 -0.127 7.418 1.00 0.00 C ATOM 1110 O ASP A 71 -11.769 0.698 7.330 1.00 0.00 O ATOM 1111 CB ASP A 71 -9.541 1.843 8.198 1.00 0.00 C ATOM 1112 CG ASP A 71 -10.373 2.018 9.464 1.00 0.00 C ATOM 1113 OD1 ASP A 71 -11.001 1.057 9.877 1.00 0.00 O ATOM 1114 OD2 ASP A 71 -10.371 3.113 10.003 1.00 0.00 O ATOM 1115 OXT ASP A 71 -11.025 -1.321 7.218 1.00 0.00 O ATOM 0 H ASP A 71 -8.965 -0.203 5.849 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.128 -0.232 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.533 2.224 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.975 2.427 7.386 1.00 0.00 H new