USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 834 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 99 ASN : amide:sc= -2.09 K(o=-3.1,f=-4!) USER MOD Set 1.2: A 120 MET CE :methyl -131:sc= -0.988 (180deg=-0.113) USER MOD Set 2.1: A 57 MET CE :methyl 144:sc= 0 (180deg=-1.15) USER MOD Set 2.2: A 87 CYS SG : rot 70:sc= 0.817 USER MOD Single : A 21 HIS : no HE2:sc= -0.197 K(o=-0.2,f=-1.7) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -4.73! K(o=-4.7!,f=-1.3) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -108:sc= 0.0799 USER MOD Single : A 36 MET CE :methyl -152:sc= -0.113 (180deg=-0.826) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -146:sc= 0.933 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 53 GLN : amide:sc= -0.0652 K(o=-0.065,f=-1.4!) USER MOD Single : A 56 HIS : no HE2:sc= 0.572 K(o=0.57,f=-4.9!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 72 THR OG1 : rot 100:sc= 2.2 USER MOD Single : A 76 GLN : amide:sc= 1.21 K(o=1.2,f=-1.1) USER MOD Single : A 77 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.02) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 89 THR OG1 : rot -83:sc= 1.07 USER MOD Single : A 97 MET CE :methyl -158:sc= -0.215 (180deg=-0.863) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 111 SER OG : rot 113:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 8.675 13.174 -2.003 1.00 0.00 N ATOM 229 CA ARG A 15 9.980 13.739 -1.678 1.00 0.00 C ATOM 230 C ARG A 15 10.458 13.322 -0.288 1.00 0.00 C ATOM 231 O ARG A 15 11.658 13.161 -0.060 1.00 0.00 O ATOM 232 CB ARG A 15 9.913 15.269 -1.803 1.00 0.00 C ATOM 233 CG ARG A 15 11.168 16.010 -1.357 1.00 0.00 C ATOM 234 CD ARG A 15 12.434 15.436 -1.979 1.00 0.00 C ATOM 235 NE ARG A 15 12.375 15.380 -3.436 1.00 0.00 N ATOM 236 CZ ARG A 15 13.005 14.454 -4.159 1.00 0.00 C ATOM 237 NH1 ARG A 15 13.709 13.506 -3.551 1.00 0.00 N ATOM 238 NH2 ARG A 15 12.933 14.472 -5.481 1.00 0.00 N ATOM 0 HA ARG A 15 10.711 13.347 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.709 15.524 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.069 15.629 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.080 17.063 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.247 15.964 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.288 16.043 -1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.602 14.432 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 15 11.824 16.085 -3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.767 13.487 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.192 12.796 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.393 15.198 -5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.418 13.760 -6.028 1.00 0.00 H new ATOM 252 N ALA A 16 9.533 13.140 0.636 1.00 0.00 N ATOM 253 CA ALA A 16 9.904 12.763 1.988 1.00 0.00 C ATOM 254 C ALA A 16 8.907 11.788 2.584 1.00 0.00 C ATOM 255 O ALA A 16 7.700 12.051 2.612 1.00 0.00 O ATOM 256 CB ALA A 16 10.032 13.994 2.871 1.00 0.00 C ATOM 0 H ALA A 16 8.531 13.245 0.479 1.00 0.00 H new ATOM 0 HA ALA A 16 10.872 12.265 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.311 13.691 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.799 14.654 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.078 14.521 2.901 1.00 0.00 H new ATOM 262 N ALA A 17 9.422 10.656 3.035 1.00 0.00 N ATOM 263 CA ALA A 17 8.628 9.684 3.763 1.00 0.00 C ATOM 264 C ALA A 17 9.096 9.647 5.211 1.00 0.00 C ATOM 265 O ALA A 17 10.190 9.171 5.509 1.00 0.00 O ATOM 266 CB ALA A 17 8.748 8.312 3.116 1.00 0.00 C ATOM 0 H ALA A 17 10.398 10.387 2.907 1.00 0.00 H new ATOM 0 HA ALA A 17 7.577 9.972 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.147 7.593 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.392 8.363 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.791 7.996 3.124 1.00 0.00 H new ATOM 272 N ASP A 18 8.272 10.177 6.101 1.00 0.00 N ATOM 273 CA ASP A 18 8.652 10.319 7.501 1.00 0.00 C ATOM 274 C ASP A 18 8.128 9.159 8.326 1.00 0.00 C ATOM 275 O ASP A 18 8.869 8.517 9.074 1.00 0.00 O ATOM 276 CB ASP A 18 8.094 11.622 8.080 1.00 0.00 C ATOM 277 CG ASP A 18 8.540 12.854 7.322 1.00 0.00 C ATOM 278 OD1 ASP A 18 7.830 13.263 6.378 1.00 0.00 O ATOM 279 OD2 ASP A 18 9.579 13.436 7.690 1.00 0.00 O ATOM 0 H ASP A 18 7.336 10.516 5.881 1.00 0.00 H new ATOM 0 HA ASP A 18 9.741 10.332 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.005 11.576 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.406 11.712 9.121 1.00 0.00 H new ATOM 284 N GLY A 19 6.843 8.902 8.185 1.00 0.00 N ATOM 285 CA GLY A 19 6.178 7.944 9.036 1.00 0.00 C ATOM 286 C GLY A 19 5.015 8.587 9.756 1.00 0.00 C ATOM 287 O GLY A 19 3.929 8.016 9.842 1.00 0.00 O ATOM 0 H GLY A 19 6.242 9.344 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.823 7.104 8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.885 7.543 9.762 1.00 0.00 H new ATOM 291 N ARG A 20 5.245 9.788 10.273 1.00 0.00 N ATOM 292 CA ARG A 20 4.171 10.569 10.867 1.00 0.00 C ATOM 293 C ARG A 20 3.376 11.265 9.768 1.00 0.00 C ATOM 294 O ARG A 20 2.170 11.461 9.883 1.00 0.00 O ATOM 295 CB ARG A 20 4.716 11.598 11.863 1.00 0.00 C ATOM 296 CG ARG A 20 3.613 12.340 12.596 1.00 0.00 C ATOM 297 CD ARG A 20 4.134 13.163 13.760 1.00 0.00 C ATOM 298 NE ARG A 20 3.035 13.616 14.606 1.00 0.00 N ATOM 299 CZ ARG A 20 3.143 14.533 15.565 1.00 0.00 C ATOM 300 NH1 ARG A 20 4.292 15.158 15.779 1.00 0.00 N ATOM 301 NH2 ARG A 20 2.085 14.842 16.304 1.00 0.00 N ATOM 0 H ARG A 20 6.160 10.239 10.292 1.00 0.00 H new ATOM 0 HA ARG A 20 3.516 9.892 11.415 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.354 11.094 12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.342 12.316 11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.094 12.995 11.896 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.880 11.622 12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.831 12.567 14.349 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.688 14.023 13.384 1.00 0.00 H new ATOM 0 HE ARG A 20 2.117 13.200 14.451 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.107 14.938 15.206 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.362 15.859 16.517 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.193 14.377 16.136 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.164 15.544 17.040 1.00 0.00 H new ATOM 315 N HIS A 21 4.070 11.628 8.698 1.00 0.00 N ATOM 316 CA HIS A 21 3.433 12.204 7.521 1.00 0.00 C ATOM 317 C HIS A 21 4.272 11.926 6.284 1.00 0.00 C ATOM 318 O HIS A 21 5.371 11.380 6.387 1.00 0.00 O ATOM 319 CB HIS A 21 3.190 13.715 7.677 1.00 0.00 C ATOM 320 CG HIS A 21 4.381 14.524 8.112 1.00 0.00 C ATOM 321 ND1 HIS A 21 5.581 14.567 7.426 1.00 0.00 N ATOM 322 CD2 HIS A 21 4.532 15.352 9.169 1.00 0.00 C ATOM 323 CE1 HIS A 21 6.408 15.388 8.047 1.00 0.00 C ATOM 324 NE2 HIS A 21 5.795 15.876 9.104 1.00 0.00 N ATOM 0 H HIS A 21 5.083 11.533 8.621 1.00 0.00 H new ATOM 0 HA HIS A 21 2.458 11.730 7.409 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.835 14.108 6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.389 13.863 8.401 1.00 0.00 H new ATOM 0 HD1 HIS A 21 5.794 14.047 6.575 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.792 15.562 9.927 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.417 15.620 7.739 1.00 0.00 H new ATOM 333 N ALA A 22 3.745 12.284 5.123 1.00 0.00 N ATOM 334 CA ALA A 22 4.457 12.099 3.868 1.00 0.00 C ATOM 335 C ALA A 22 4.318 13.341 3.003 1.00 0.00 C ATOM 336 O ALA A 22 3.262 13.979 2.992 1.00 0.00 O ATOM 337 CB ALA A 22 3.933 10.873 3.132 1.00 0.00 C ATOM 0 H ALA A 22 2.822 12.706 5.024 1.00 0.00 H new ATOM 0 HA ALA A 22 5.513 11.940 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.477 10.751 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.075 9.988 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.872 11.002 2.920 1.00 0.00 H new ATOM 343 N LYS A 23 5.382 13.696 2.303 1.00 0.00 N ATOM 344 CA LYS A 23 5.371 14.877 1.456 1.00 0.00 C ATOM 345 C LYS A 23 5.125 14.513 0.000 1.00 0.00 C ATOM 346 O LYS A 23 6.037 14.070 -0.705 1.00 0.00 O ATOM 347 CB LYS A 23 6.693 15.641 1.566 1.00 0.00 C ATOM 348 CG LYS A 23 6.992 16.183 2.952 1.00 0.00 C ATOM 349 CD LYS A 23 8.272 16.999 2.945 1.00 0.00 C ATOM 350 CE LYS A 23 8.622 17.520 4.327 1.00 0.00 C ATOM 351 NZ LYS A 23 9.842 18.369 4.300 1.00 0.00 N ATOM 0 H LYS A 23 6.264 13.184 2.304 1.00 0.00 H new ATOM 0 HA LYS A 23 4.556 15.512 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.506 14.981 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.678 16.471 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.162 16.802 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.085 15.358 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.091 16.385 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.163 17.838 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.785 18.097 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.778 16.680 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.051 18.707 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.646 17.811 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.684 19.184 3.673 1.00 0.00 H new ATOM 365 N VAL A 24 3.895 14.690 -0.453 1.00 0.00 N ATOM 366 CA VAL A 24 3.582 14.517 -1.860 1.00 0.00 C ATOM 367 C VAL A 24 3.790 15.846 -2.572 1.00 0.00 C ATOM 368 O VAL A 24 2.858 16.638 -2.713 1.00 0.00 O ATOM 369 CB VAL A 24 2.134 14.026 -2.075 1.00 0.00 C ATOM 370 CG1 VAL A 24 1.882 13.718 -3.544 1.00 0.00 C ATOM 371 CG2 VAL A 24 1.846 12.804 -1.213 1.00 0.00 C ATOM 0 H VAL A 24 3.101 14.952 0.131 1.00 0.00 H new ATOM 0 HA VAL A 24 4.244 13.754 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 24 1.456 14.824 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.856 13.374 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.040 14.619 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.570 12.940 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.820 12.475 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.533 12.001 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.978 13.061 -0.162 1.00 0.00 H new ATOM 381 N ASN A 25 5.040 16.090 -2.975 1.00 0.00 N ATOM 382 CA ASN A 25 5.461 17.374 -3.551 1.00 0.00 C ATOM 383 C ASN A 25 5.411 18.467 -2.486 1.00 0.00 C ATOM 384 O ASN A 25 6.438 18.836 -1.920 1.00 0.00 O ATOM 385 CB ASN A 25 4.605 17.745 -4.774 1.00 0.00 C ATOM 386 CG ASN A 25 5.024 19.053 -5.424 1.00 0.00 C ATOM 387 OD1 ASN A 25 6.185 19.457 -5.356 1.00 0.00 O ATOM 388 ND2 ASN A 25 4.077 19.713 -6.068 1.00 0.00 N ATOM 0 H ASN A 25 5.791 15.403 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 25 6.490 17.277 -3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.669 16.944 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.561 17.816 -4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.296 20.594 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.128 19.342 -6.099 1.00 0.00 H new ATOM 395 N GLU A 26 4.217 18.963 -2.205 1.00 0.00 N ATOM 396 CA GLU A 26 4.014 19.897 -1.106 1.00 0.00 C ATOM 397 C GLU A 26 2.845 19.431 -0.233 1.00 0.00 C ATOM 398 O GLU A 26 2.589 19.981 0.839 1.00 0.00 O ATOM 399 CB GLU A 26 3.738 21.303 -1.640 1.00 0.00 C ATOM 400 CG GLU A 26 3.688 22.368 -0.557 1.00 0.00 C ATOM 401 CD GLU A 26 2.981 23.624 -1.012 1.00 0.00 C ATOM 402 OE1 GLU A 26 1.730 23.625 -1.034 1.00 0.00 O ATOM 403 OE2 GLU A 26 3.665 24.612 -1.339 1.00 0.00 O ATOM 0 H GLU A 26 3.370 18.734 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 26 4.922 19.926 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.512 21.567 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.790 21.299 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.180 21.966 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.704 22.618 -0.250 1.00 0.00 H new ATOM 410 N GLN A 27 2.145 18.401 -0.692 1.00 0.00 N ATOM 411 CA GLN A 27 0.944 17.938 -0.020 1.00 0.00 C ATOM 412 C GLN A 27 1.295 17.003 1.129 1.00 0.00 C ATOM 413 O GLN A 27 1.689 15.855 0.916 1.00 0.00 O ATOM 414 CB GLN A 27 0.018 17.229 -1.011 1.00 0.00 C ATOM 415 CG GLN A 27 -0.383 18.096 -2.195 1.00 0.00 C ATOM 416 CD GLN A 27 -1.351 17.402 -3.130 1.00 0.00 C ATOM 417 OE1 GLN A 27 -2.567 17.493 -2.962 1.00 0.00 O ATOM 418 NE2 GLN A 27 -0.823 16.711 -4.128 1.00 0.00 N ATOM 0 H GLN A 27 2.391 17.872 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 27 0.426 18.806 0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.513 16.331 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.881 16.905 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.837 19.017 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.511 18.380 -2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.190 16.660 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.429 16.230 -4.792 1.00 0.00 H new ATOM 427 N ILE A 28 1.182 17.515 2.344 1.00 0.00 N ATOM 428 CA ILE A 28 1.418 16.717 3.535 1.00 0.00 C ATOM 429 C ILE A 28 0.131 16.014 3.950 1.00 0.00 C ATOM 430 O ILE A 28 -0.779 16.635 4.502 1.00 0.00 O ATOM 431 CB ILE A 28 1.937 17.585 4.703 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.235 18.294 4.300 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.159 16.732 5.945 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.775 19.233 5.358 1.00 0.00 C ATOM 0 H ILE A 28 0.927 18.485 2.531 1.00 0.00 H new ATOM 0 HA ILE A 28 2.182 15.977 3.297 1.00 0.00 H new ATOM 0 HB ILE A 28 1.186 18.340 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.992 17.543 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.060 18.857 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.525 17.360 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.218 16.268 6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.894 15.957 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.694 19.696 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.037 20.007 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.983 18.673 6.270 1.00 0.00 H new ATOM 446 N LEU A 29 0.046 14.728 3.652 1.00 0.00 N ATOM 447 CA LEU A 29 -1.144 13.952 3.969 1.00 0.00 C ATOM 448 C LEU A 29 -1.033 13.351 5.365 1.00 0.00 C ATOM 449 O LEU A 29 0.071 13.148 5.873 1.00 0.00 O ATOM 450 CB LEU A 29 -1.359 12.858 2.919 1.00 0.00 C ATOM 451 CG LEU A 29 -1.559 13.371 1.489 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.807 12.217 0.532 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.712 14.362 1.434 1.00 0.00 C ATOM 0 H LEU A 29 0.786 14.198 3.191 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.009 14.616 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.500 12.187 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.230 12.267 3.203 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.647 13.882 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.946 12.605 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.951 11.542 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.702 11.675 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.839 14.716 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.628 13.873 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.496 15.208 2.086 1.00 0.00 H new ATOM 465 N GLN A 30 -2.179 13.079 5.985 1.00 0.00 N ATOM 466 CA GLN A 30 -2.215 12.591 7.361 1.00 0.00 C ATOM 467 C GLN A 30 -3.232 11.465 7.518 1.00 0.00 C ATOM 468 O GLN A 30 -3.885 11.340 8.554 1.00 0.00 O ATOM 469 CB GLN A 30 -2.548 13.739 8.323 1.00 0.00 C ATOM 470 CG GLN A 30 -1.452 14.794 8.429 1.00 0.00 C ATOM 471 CD GLN A 30 -0.229 14.327 9.207 1.00 0.00 C ATOM 472 OE1 GLN A 30 0.475 15.131 9.815 1.00 0.00 O ATOM 473 NE2 GLN A 30 0.030 13.028 9.208 1.00 0.00 N ATOM 0 H GLN A 30 -3.097 13.189 5.555 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.229 12.196 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.470 14.219 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.738 13.326 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.144 15.087 7.426 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.860 15.683 8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.574 12.387 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.833 12.669 9.724 1.00 0.00 H new ATOM 482 N GLN A 31 -3.348 10.642 6.490 1.00 0.00 N ATOM 483 CA GLN A 31 -4.241 9.498 6.523 1.00 0.00 C ATOM 484 C GLN A 31 -3.645 8.387 5.660 1.00 0.00 C ATOM 485 O GLN A 31 -2.453 8.420 5.343 1.00 0.00 O ATOM 486 CB GLN A 31 -5.635 9.906 6.018 1.00 0.00 C ATOM 487 CG GLN A 31 -6.753 8.977 6.474 1.00 0.00 C ATOM 488 CD GLN A 31 -8.107 9.374 5.921 1.00 0.00 C ATOM 489 OE1 GLN A 31 -8.505 8.929 4.846 1.00 0.00 O ATOM 490 NE2 GLN A 31 -8.829 10.206 6.656 1.00 0.00 N ATOM 0 H GLN A 31 -2.831 10.747 5.617 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.351 9.134 7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.853 10.917 6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.622 9.935 4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.523 7.958 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.797 8.975 7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.462 10.553 7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.752 10.500 6.336 1.00 0.00 H new ATOM 499 N SER A 32 -4.449 7.404 5.295 1.00 0.00 N ATOM 500 CA SER A 32 -3.995 6.347 4.414 1.00 0.00 C ATOM 501 C SER A 32 -4.351 6.694 2.972 1.00 0.00 C ATOM 502 O SER A 32 -5.437 7.216 2.698 1.00 0.00 O ATOM 503 CB SER A 32 -4.620 5.006 4.814 1.00 0.00 C ATOM 504 OG SER A 32 -4.029 3.930 4.103 1.00 0.00 O ATOM 0 H SER A 32 -5.420 7.317 5.596 1.00 0.00 H new ATOM 0 HA SER A 32 -2.912 6.254 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.495 4.849 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.692 5.029 4.618 1.00 0.00 H new ATOM 0 HG SER A 32 -4.666 3.585 3.443 1.00 0.00 H new ATOM 510 N PHE A 33 -3.423 6.442 2.063 1.00 0.00 N ATOM 511 CA PHE A 33 -3.648 6.691 0.649 1.00 0.00 C ATOM 512 C PHE A 33 -2.914 5.658 -0.189 1.00 0.00 C ATOM 513 O PHE A 33 -1.855 5.168 0.204 1.00 0.00 O ATOM 514 CB PHE A 33 -3.210 8.112 0.264 1.00 0.00 C ATOM 515 CG PHE A 33 -1.801 8.469 0.664 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.527 8.941 1.939 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.757 8.350 -0.239 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.240 9.288 2.304 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.532 8.693 0.120 1.00 0.00 C ATOM 520 CZ PHE A 33 0.790 9.162 1.393 1.00 0.00 C ATOM 0 H PHE A 33 -2.502 6.063 2.281 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.717 6.606 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.306 8.227 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.895 8.825 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.329 9.039 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.953 7.984 -1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.040 9.657 3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.337 8.595 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.797 9.430 1.676 1.00 0.00 H new ATOM 530 N ILE A 34 -3.486 5.322 -1.332 1.00 0.00 N ATOM 531 CA ILE A 34 -2.902 4.320 -2.205 1.00 0.00 C ATOM 532 C ILE A 34 -2.170 4.990 -3.359 1.00 0.00 C ATOM 533 O ILE A 34 -2.777 5.691 -4.168 1.00 0.00 O ATOM 534 CB ILE A 34 -3.976 3.365 -2.764 1.00 0.00 C ATOM 535 CG1 ILE A 34 -4.789 2.753 -1.620 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.331 2.271 -3.608 1.00 0.00 C ATOM 537 CD1 ILE A 34 -5.973 1.932 -2.087 1.00 0.00 C ATOM 0 H ILE A 34 -4.355 5.729 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.197 3.737 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.651 3.936 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.135 2.122 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.146 3.553 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.104 1.606 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.792 2.724 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.635 1.700 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.501 1.530 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.649 2.563 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.622 1.110 -2.712 1.00 0.00 H new ATOM 549 N LEU A 35 -0.870 4.781 -3.429 1.00 0.00 N ATOM 550 CA LEU A 35 -0.066 5.368 -4.486 1.00 0.00 C ATOM 551 C LEU A 35 0.313 4.307 -5.510 1.00 0.00 C ATOM 552 O LEU A 35 0.973 3.320 -5.184 1.00 0.00 O ATOM 553 CB LEU A 35 1.189 6.025 -3.902 1.00 0.00 C ATOM 554 CG LEU A 35 2.116 6.696 -4.922 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.376 7.780 -5.692 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.337 7.275 -4.226 1.00 0.00 C ATOM 0 H LEU A 35 -0.346 4.209 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.655 6.137 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.880 6.772 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.758 5.267 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 35 2.448 5.940 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.053 8.243 -6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.532 7.338 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.012 8.537 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.986 7.748 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.020 8.016 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.882 6.476 -3.723 1.00 0.00 H new ATOM 568 N MET A 36 -0.127 4.503 -6.741 1.00 0.00 N ATOM 569 CA MET A 36 0.173 3.574 -7.816 1.00 0.00 C ATOM 570 C MET A 36 0.945 4.285 -8.917 1.00 0.00 C ATOM 571 O MET A 36 0.946 5.518 -8.972 1.00 0.00 O ATOM 572 CB MET A 36 -1.118 2.975 -8.379 1.00 0.00 C ATOM 573 CG MET A 36 -1.815 2.021 -7.424 1.00 0.00 C ATOM 574 SD MET A 36 -3.307 1.303 -8.133 1.00 0.00 S ATOM 575 CE MET A 36 -3.785 0.171 -6.829 1.00 0.00 C ATOM 0 H MET A 36 -0.696 5.302 -7.021 1.00 0.00 H new ATOM 0 HA MET A 36 0.786 2.765 -7.419 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.802 3.784 -8.634 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.890 2.446 -9.305 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.127 1.222 -7.147 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.071 2.552 -6.507 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.336 -0.666 -7.258 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.893 -0.202 -6.326 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.417 0.691 -6.109 1.00 0.00 H new ATOM 585 N PRO A 37 1.632 3.531 -9.790 1.00 0.00 N ATOM 586 CA PRO A 37 2.362 4.092 -10.937 1.00 0.00 C ATOM 587 C PRO A 37 1.421 4.605 -12.030 1.00 0.00 C ATOM 588 O PRO A 37 1.563 4.260 -13.204 1.00 0.00 O ATOM 589 CB PRO A 37 3.187 2.905 -11.464 1.00 0.00 C ATOM 590 CG PRO A 37 3.102 1.854 -10.408 1.00 0.00 C ATOM 591 CD PRO A 37 1.789 2.072 -9.719 1.00 0.00 C ATOM 0 HA PRO A 37 2.966 4.951 -10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.789 2.541 -12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.222 3.197 -11.644 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.154 0.856 -10.844 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.931 1.938 -9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.975 1.551 -10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.807 1.715 -8.689 1.00 0.00 H new ATOM 599 N ASP A 38 0.465 5.435 -11.633 1.00 0.00 N ATOM 600 CA ASP A 38 -0.495 6.016 -12.562 1.00 0.00 C ATOM 601 C ASP A 38 -1.132 7.261 -11.962 1.00 0.00 C ATOM 602 O ASP A 38 -1.183 8.313 -12.601 1.00 0.00 O ATOM 603 CB ASP A 38 -1.584 5.007 -12.926 1.00 0.00 C ATOM 604 CG ASP A 38 -2.542 5.558 -13.961 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.073 5.941 -15.054 1.00 0.00 O ATOM 606 OD2 ASP A 38 -3.762 5.600 -13.693 1.00 0.00 O ATOM 0 H ASP A 38 0.334 5.723 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 38 0.044 6.291 -13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.122 4.096 -13.307 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.138 4.732 -12.029 1.00 0.00 H new ATOM 611 N GLU A 39 -1.607 7.135 -10.727 1.00 0.00 N ATOM 612 CA GLU A 39 -2.263 8.239 -10.039 1.00 0.00 C ATOM 613 C GLU A 39 -2.231 8.006 -8.531 1.00 0.00 C ATOM 614 O GLU A 39 -1.862 6.920 -8.065 1.00 0.00 O ATOM 615 CB GLU A 39 -3.713 8.376 -10.530 1.00 0.00 C ATOM 616 CG GLU A 39 -4.094 9.787 -10.970 1.00 0.00 C ATOM 617 CD GLU A 39 -4.277 10.749 -9.813 1.00 0.00 C ATOM 618 OE1 GLU A 39 -3.267 11.229 -9.260 1.00 0.00 O ATOM 619 OE2 GLU A 39 -5.438 11.040 -9.457 1.00 0.00 O ATOM 0 H GLU A 39 -1.549 6.275 -10.181 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.731 9.164 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.868 7.693 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.386 8.062 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.322 10.173 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.018 9.743 -11.546 1.00 0.00 H new ATOM 626 N LEU A 40 -2.603 9.029 -7.779 1.00 0.00 N ATOM 627 CA LEU A 40 -2.683 8.939 -6.331 1.00 0.00 C ATOM 628 C LEU A 40 -4.128 8.699 -5.907 1.00 0.00 C ATOM 629 O LEU A 40 -4.976 9.579 -6.034 1.00 0.00 O ATOM 630 CB LEU A 40 -2.156 10.230 -5.693 1.00 0.00 C ATOM 631 CG LEU A 40 -2.214 10.279 -4.165 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.339 9.195 -3.560 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.790 11.650 -3.663 1.00 0.00 C ATOM 0 H LEU A 40 -2.857 9.943 -8.154 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.069 8.104 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.121 10.373 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.727 11.070 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.243 10.099 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.394 9.247 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.687 8.218 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.307 9.341 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.837 11.669 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.770 11.856 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.459 12.409 -4.068 1.00 0.00 H new ATOM 645 N VAL A 41 -4.407 7.505 -5.412 1.00 0.00 N ATOM 646 CA VAL A 41 -5.764 7.138 -5.040 1.00 0.00 C ATOM 647 C VAL A 41 -6.054 7.520 -3.591 1.00 0.00 C ATOM 648 O VAL A 41 -5.594 6.862 -2.654 1.00 0.00 O ATOM 649 CB VAL A 41 -6.019 5.628 -5.237 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.467 5.278 -4.928 1.00 0.00 C ATOM 651 CG2 VAL A 41 -5.655 5.201 -6.652 1.00 0.00 C ATOM 0 H VAL A 41 -3.713 6.773 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.436 7.690 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.382 5.084 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.622 4.209 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.692 5.539 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.126 5.835 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.842 4.134 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.262 5.757 -7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.600 5.407 -6.834 1.00 0.00 H new ATOM 661 N GLU A 42 -6.792 8.605 -3.421 1.00 0.00 N ATOM 662 CA GLU A 42 -7.241 9.035 -2.105 1.00 0.00 C ATOM 663 C GLU A 42 -8.692 8.614 -1.895 1.00 0.00 C ATOM 664 O GLU A 42 -9.183 7.720 -2.584 1.00 0.00 O ATOM 665 CB GLU A 42 -7.102 10.554 -1.960 1.00 0.00 C ATOM 666 CG GLU A 42 -5.666 11.050 -2.010 1.00 0.00 C ATOM 667 CD GLU A 42 -5.570 12.551 -1.827 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.779 13.288 -2.814 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.290 13.001 -0.697 1.00 0.00 O ATOM 0 H GLU A 42 -7.095 9.209 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.618 8.561 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.671 11.038 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.549 10.861 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.085 10.553 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.221 10.773 -2.966 1.00 0.00 H new ATOM 676 N HIS A 43 -9.367 9.261 -0.944 1.00 0.00 N ATOM 677 CA HIS A 43 -10.772 8.970 -0.636 1.00 0.00 C ATOM 678 C HIS A 43 -10.925 7.542 -0.134 1.00 0.00 C ATOM 679 O HIS A 43 -11.851 6.827 -0.521 1.00 0.00 O ATOM 680 CB HIS A 43 -11.678 9.180 -1.861 1.00 0.00 C ATOM 681 CG HIS A 43 -11.634 10.559 -2.438 1.00 0.00 C ATOM 682 ND1 HIS A 43 -11.549 10.800 -3.792 1.00 0.00 N ATOM 683 CD2 HIS A 43 -11.684 11.773 -1.846 1.00 0.00 C ATOM 684 CE1 HIS A 43 -11.543 12.101 -4.006 1.00 0.00 C ATOM 685 NE2 HIS A 43 -11.626 12.714 -2.841 1.00 0.00 N ATOM 0 H HIS A 43 -8.960 9.998 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.081 9.666 0.144 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.392 8.467 -2.635 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.706 8.950 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.756 11.966 -0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.481 12.583 -4.971 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.644 13.724 -2.703 1.00 0.00 H new ATOM 694 N TRP A 44 -10.018 7.141 0.736 1.00 0.00 N ATOM 695 CA TRP A 44 -10.029 5.795 1.285 1.00 0.00 C ATOM 696 C TRP A 44 -10.004 5.873 2.810 1.00 0.00 C ATOM 697 O TRP A 44 -8.940 5.974 3.421 1.00 0.00 O ATOM 698 CB TRP A 44 -8.830 5.004 0.750 1.00 0.00 C ATOM 699 CG TRP A 44 -8.961 3.516 0.886 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.989 2.738 0.431 1.00 0.00 C ATOM 701 CD2 TRP A 44 -8.020 2.622 1.491 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.750 1.417 0.730 1.00 0.00 N ATOM 703 CE2 TRP A 44 -8.547 1.320 1.380 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.786 2.796 2.124 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.879 0.202 1.873 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -6.124 1.684 2.611 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.672 0.402 2.486 1.00 0.00 C ATOM 0 H TRP A 44 -9.260 7.730 1.080 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.937 5.276 0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.688 5.250 -0.302 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.932 5.327 1.277 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.862 3.107 -0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.367 0.637 0.505 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.357 3.781 2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.299 -0.788 1.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.167 1.807 3.096 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.132 -0.446 2.881 1.00 0.00 H new ATOM 718 N PRO A 45 -11.191 5.877 3.440 1.00 0.00 N ATOM 719 CA PRO A 45 -11.326 6.054 4.887 1.00 0.00 C ATOM 720 C PRO A 45 -10.826 4.851 5.677 1.00 0.00 C ATOM 721 O PRO A 45 -11.598 3.952 6.025 1.00 0.00 O ATOM 722 CB PRO A 45 -12.834 6.249 5.104 1.00 0.00 C ATOM 723 CG PRO A 45 -13.418 6.434 3.741 1.00 0.00 C ATOM 724 CD PRO A 45 -12.499 5.719 2.794 1.00 0.00 C ATOM 0 HA PRO A 45 -10.725 6.893 5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.273 5.385 5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.030 7.116 5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.426 6.023 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.491 7.492 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.771 4.670 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.516 6.163 1.799 1.00 0.00 H new ATOM 732 N VAL A 46 -9.525 4.824 5.927 1.00 0.00 N ATOM 733 CA VAL A 46 -8.916 3.774 6.725 1.00 0.00 C ATOM 734 C VAL A 46 -7.927 4.363 7.728 1.00 0.00 C ATOM 735 O VAL A 46 -6.796 4.702 7.375 1.00 0.00 O ATOM 736 CB VAL A 46 -8.195 2.727 5.843 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.451 1.714 6.700 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.188 2.016 4.938 1.00 0.00 C ATOM 0 H VAL A 46 -8.867 5.524 5.585 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.722 3.273 7.261 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.469 3.253 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.953 0.989 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.708 2.229 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.158 1.197 7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.662 1.284 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.937 1.509 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.678 2.745 4.292 1.00 0.00 H new ATOM 748 N PRO A 47 -8.363 4.543 8.984 1.00 0.00 N ATOM 749 CA PRO A 47 -7.473 4.933 10.079 1.00 0.00 C ATOM 750 C PRO A 47 -6.441 3.848 10.369 1.00 0.00 C ATOM 751 O PRO A 47 -6.623 2.694 9.969 1.00 0.00 O ATOM 752 CB PRO A 47 -8.416 5.109 11.278 1.00 0.00 C ATOM 753 CG PRO A 47 -9.781 5.224 10.692 1.00 0.00 C ATOM 754 CD PRO A 47 -9.757 4.418 9.427 1.00 0.00 C ATOM 0 HA PRO A 47 -6.904 5.833 9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.350 4.260 11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.159 5.998 11.853 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.535 4.845 11.382 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.031 6.265 10.487 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.032 3.379 9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.453 4.810 8.685 1.00 0.00 H new ATOM 762 N SER A 48 -5.375 4.215 11.069 1.00 0.00 N ATOM 763 CA SER A 48 -4.279 3.303 11.373 1.00 0.00 C ATOM 764 C SER A 48 -4.783 2.025 12.052 1.00 0.00 C ATOM 765 O SER A 48 -5.129 2.035 13.233 1.00 0.00 O ATOM 766 CB SER A 48 -3.274 4.023 12.266 1.00 0.00 C ATOM 767 OG SER A 48 -3.102 5.362 11.825 1.00 0.00 O ATOM 0 H SER A 48 -5.246 5.155 11.443 1.00 0.00 H new ATOM 0 HA SER A 48 -3.800 3.003 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.622 4.014 13.299 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.318 3.500 12.247 1.00 0.00 H new ATOM 0 HG SER A 48 -2.176 5.641 11.981 1.00 0.00 H new ATOM 773 N LEU A 49 -4.844 0.940 11.271 1.00 0.00 N ATOM 774 CA LEU A 49 -5.325 -0.359 11.735 1.00 0.00 C ATOM 775 C LEU A 49 -6.757 -0.277 12.262 1.00 0.00 C ATOM 776 O LEU A 49 -7.214 -1.161 12.990 1.00 0.00 O ATOM 777 CB LEU A 49 -4.397 -0.928 12.808 1.00 0.00 C ATOM 778 CG LEU A 49 -2.951 -1.165 12.368 1.00 0.00 C ATOM 779 CD1 LEU A 49 -2.156 -1.803 13.495 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.905 -2.039 11.124 1.00 0.00 C ATOM 0 H LEU A 49 -4.558 0.943 10.292 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.324 -1.031 10.877 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.393 -0.247 13.659 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.812 -1.873 13.159 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.502 -0.202 12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.129 -1.966 13.169 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.161 -1.143 14.362 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.608 -2.758 13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.868 -2.196 10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.370 -3.001 11.338 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.444 -1.547 10.314 1.00 0.00 H new ATOM 792 N GLY A 50 -7.466 0.771 11.864 1.00 0.00 N ATOM 793 CA GLY A 50 -8.825 0.964 12.318 1.00 0.00 C ATOM 794 C GLY A 50 -9.830 0.336 11.384 1.00 0.00 C ATOM 795 O GLY A 50 -10.310 -0.770 11.625 1.00 0.00 O ATOM 0 H GLY A 50 -7.120 1.493 11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.939 0.535 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.029 2.031 12.406 1.00 0.00 H new ATOM 799 N GLN A 51 -10.134 1.032 10.299 1.00 0.00 N ATOM 800 CA GLN A 51 -11.090 0.537 9.321 1.00 0.00 C ATOM 801 C GLN A 51 -10.376 -0.251 8.229 1.00 0.00 C ATOM 802 O GLN A 51 -10.888 -0.402 7.118 1.00 0.00 O ATOM 803 CB GLN A 51 -11.885 1.694 8.711 1.00 0.00 C ATOM 804 CG GLN A 51 -12.795 2.399 9.705 1.00 0.00 C ATOM 805 CD GLN A 51 -13.582 3.532 9.076 1.00 0.00 C ATOM 806 OE1 GLN A 51 -13.133 4.677 9.046 1.00 0.00 O ATOM 807 NE2 GLN A 51 -14.769 3.225 8.579 1.00 0.00 N ATOM 0 H GLN A 51 -9.732 1.942 10.074 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.787 -0.129 9.830 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.189 2.420 8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.487 1.314 7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.488 1.675 10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.195 2.791 10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.107 2.264 8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.346 3.950 8.152 1.00 0.00 H new ATOM 816 N LEU A 52 -9.194 -0.762 8.558 1.00 0.00 N ATOM 817 CA LEU A 52 -8.449 -1.617 7.648 1.00 0.00 C ATOM 818 C LEU A 52 -9.089 -3.000 7.634 1.00 0.00 C ATOM 819 O LEU A 52 -8.661 -3.915 8.338 1.00 0.00 O ATOM 820 CB LEU A 52 -6.977 -1.700 8.064 1.00 0.00 C ATOM 821 CG LEU A 52 -6.067 -2.475 7.106 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.099 -1.859 5.715 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.644 -2.509 7.639 1.00 0.00 C ATOM 0 H LEU A 52 -8.732 -0.596 9.452 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.481 -1.195 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.588 -0.687 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.921 -2.165 9.048 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.437 -3.498 7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.446 -2.425 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.118 -1.884 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.756 -0.826 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.010 -3.063 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.269 -1.491 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.632 -2.998 8.613 1.00 0.00 H new ATOM 835 N GLN A 53 -10.143 -3.120 6.846 1.00 0.00 N ATOM 836 CA GLN A 53 -10.990 -4.301 6.847 1.00 0.00 C ATOM 837 C GLN A 53 -11.093 -4.869 5.438 1.00 0.00 C ATOM 838 O GLN A 53 -10.839 -4.155 4.464 1.00 0.00 O ATOM 839 CB GLN A 53 -12.381 -3.916 7.360 1.00 0.00 C ATOM 840 CG GLN A 53 -12.365 -3.290 8.746 1.00 0.00 C ATOM 841 CD GLN A 53 -13.642 -2.539 9.064 1.00 0.00 C ATOM 842 OE1 GLN A 53 -14.297 -2.000 8.171 1.00 0.00 O ATOM 843 NE2 GLN A 53 -13.993 -2.484 10.336 1.00 0.00 N ATOM 0 H GLN A 53 -10.437 -2.400 6.186 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.558 -5.061 7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.837 -3.217 6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.011 -4.805 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.213 -4.071 9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.519 -2.607 8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.421 -2.945 11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.836 -1.980 10.611 1.00 0.00 H new ATOM 852 N PRO A 54 -11.476 -6.154 5.308 1.00 0.00 N ATOM 853 CA PRO A 54 -11.630 -6.812 4.002 1.00 0.00 C ATOM 854 C PRO A 54 -12.594 -6.065 3.084 1.00 0.00 C ATOM 855 O PRO A 54 -12.478 -6.130 1.862 1.00 0.00 O ATOM 856 CB PRO A 54 -12.190 -8.193 4.356 1.00 0.00 C ATOM 857 CG PRO A 54 -11.766 -8.426 5.764 1.00 0.00 C ATOM 858 CD PRO A 54 -11.774 -7.075 6.422 1.00 0.00 C ATOM 0 HA PRO A 54 -10.688 -6.849 3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.276 -8.216 4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.796 -8.962 3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.447 -9.111 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.774 -8.875 5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.739 -6.855 6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.025 -7.007 7.211 1.00 0.00 H new ATOM 866 N ALA A 55 -13.538 -5.347 3.685 1.00 0.00 N ATOM 867 CA ALA A 55 -14.497 -4.549 2.930 1.00 0.00 C ATOM 868 C ALA A 55 -13.798 -3.410 2.186 1.00 0.00 C ATOM 869 O ALA A 55 -14.046 -3.185 1.003 1.00 0.00 O ATOM 870 CB ALA A 55 -15.569 -3.996 3.858 1.00 0.00 C ATOM 0 H ALA A 55 -13.659 -5.302 4.697 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.970 -5.196 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.278 -3.402 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.094 -4.821 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.104 -3.368 4.618 1.00 0.00 H new ATOM 876 N HIS A 56 -12.910 -2.705 2.880 1.00 0.00 N ATOM 877 CA HIS A 56 -12.172 -1.598 2.274 1.00 0.00 C ATOM 878 C HIS A 56 -11.048 -2.124 1.394 1.00 0.00 C ATOM 879 O HIS A 56 -10.673 -1.495 0.405 1.00 0.00 O ATOM 880 CB HIS A 56 -11.601 -0.662 3.343 1.00 0.00 C ATOM 881 CG HIS A 56 -12.620 0.245 3.963 1.00 0.00 C ATOM 882 ND1 HIS A 56 -12.714 0.460 5.321 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.583 1.010 3.398 1.00 0.00 C ATOM 884 CE1 HIS A 56 -13.688 1.316 5.562 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.229 1.664 4.414 1.00 0.00 N ATOM 0 H HIS A 56 -12.683 -2.878 3.859 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.871 -1.032 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.138 -1.261 4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.812 -0.056 2.897 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.123 0.025 6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.801 1.090 2.343 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -13.990 1.671 6.536 1.00 0.00 H new ATOM 894 N MET A 57 -10.519 -3.283 1.764 1.00 0.00 N ATOM 895 CA MET A 57 -9.454 -3.922 1.000 1.00 0.00 C ATOM 896 C MET A 57 -10.001 -4.466 -0.316 1.00 0.00 C ATOM 897 O MET A 57 -9.272 -4.595 -1.297 1.00 0.00 O ATOM 898 CB MET A 57 -8.824 -5.053 1.821 1.00 0.00 C ATOM 899 CG MET A 57 -7.643 -5.727 1.139 1.00 0.00 C ATOM 900 SD MET A 57 -6.287 -4.583 0.818 1.00 0.00 S ATOM 901 CE MET A 57 -5.083 -5.681 0.073 1.00 0.00 C ATOM 0 H MET A 57 -10.811 -3.802 2.592 1.00 0.00 H new ATOM 0 HA MET A 57 -8.687 -3.180 0.777 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.497 -4.653 2.781 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.586 -5.804 2.032 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.284 -6.544 1.765 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.973 -6.167 0.198 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.540 -5.149 -0.708 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.382 -6.023 0.835 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.594 -6.540 -0.362 1.00 0.00 H new ATOM 911 N ASP A 58 -11.299 -4.752 -0.330 1.00 0.00 N ATOM 912 CA ASP A 58 -11.965 -5.317 -1.503 1.00 0.00 C ATOM 913 C ASP A 58 -11.835 -4.379 -2.701 1.00 0.00 C ATOM 914 O ASP A 58 -11.762 -4.824 -3.848 1.00 0.00 O ATOM 915 CB ASP A 58 -13.440 -5.578 -1.189 1.00 0.00 C ATOM 916 CG ASP A 58 -14.108 -6.490 -2.200 1.00 0.00 C ATOM 917 OD1 ASP A 58 -13.927 -7.725 -2.100 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.840 -5.985 -3.076 1.00 0.00 O ATOM 0 H ASP A 58 -11.918 -4.600 0.466 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.483 -6.261 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.522 -6.023 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.973 -4.628 -1.157 1.00 0.00 H new ATOM 923 N ALA A 59 -11.789 -3.080 -2.423 1.00 0.00 N ATOM 924 CA ALA A 59 -11.563 -2.080 -3.459 1.00 0.00 C ATOM 925 C ALA A 59 -10.174 -2.250 -4.066 1.00 0.00 C ATOM 926 O ALA A 59 -10.002 -2.223 -5.287 1.00 0.00 O ATOM 927 CB ALA A 59 -11.719 -0.680 -2.884 1.00 0.00 C ATOM 0 H ALA A 59 -11.906 -2.695 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.306 -2.219 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.547 0.057 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.727 -0.560 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.994 -0.533 -2.083 1.00 0.00 H new ATOM 933 N VAL A 60 -9.191 -2.460 -3.199 1.00 0.00 N ATOM 934 CA VAL A 60 -7.813 -2.654 -3.628 1.00 0.00 C ATOM 935 C VAL A 60 -7.690 -3.969 -4.389 1.00 0.00 C ATOM 936 O VAL A 60 -6.953 -4.068 -5.368 1.00 0.00 O ATOM 937 CB VAL A 60 -6.846 -2.669 -2.424 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.397 -2.693 -2.890 1.00 0.00 C ATOM 939 CG2 VAL A 60 -7.098 -1.476 -1.516 1.00 0.00 C ATOM 0 H VAL A 60 -9.325 -2.500 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.543 -1.820 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.033 -3.579 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.736 -2.703 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.222 -3.586 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.193 -1.807 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.406 -1.507 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.947 -0.554 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.122 -1.511 -1.145 1.00 0.00 H new ATOM 949 N LEU A 61 -8.435 -4.968 -3.934 1.00 0.00 N ATOM 950 CA LEU A 61 -8.462 -6.272 -4.583 1.00 0.00 C ATOM 951 C LEU A 61 -8.963 -6.148 -6.019 1.00 0.00 C ATOM 952 O LEU A 61 -8.444 -6.798 -6.925 1.00 0.00 O ATOM 953 CB LEU A 61 -9.361 -7.237 -3.804 1.00 0.00 C ATOM 954 CG LEU A 61 -8.968 -7.472 -2.344 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.959 -8.408 -1.672 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.561 -8.037 -2.247 1.00 0.00 C ATOM 0 H LEU A 61 -9.033 -4.898 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.445 -6.665 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.382 -6.856 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.366 -8.197 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.988 -6.512 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.665 -8.565 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.955 -7.967 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.968 -9.364 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.304 -8.196 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.513 -8.986 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.856 -7.335 -2.691 1.00 0.00 H new ATOM 968 N ALA A 62 -9.968 -5.298 -6.216 1.00 0.00 N ATOM 969 CA ALA A 62 -10.545 -5.081 -7.540 1.00 0.00 C ATOM 970 C ALA A 62 -9.564 -4.355 -8.454 1.00 0.00 C ATOM 971 O ALA A 62 -9.568 -4.555 -9.668 1.00 0.00 O ATOM 972 CB ALA A 62 -11.844 -4.298 -7.430 1.00 0.00 C ATOM 0 H ALA A 62 -10.400 -4.747 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.758 -6.056 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.262 -4.144 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.555 -4.856 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.648 -3.332 -6.966 1.00 0.00 H new ATOM 978 N LEU A 63 -8.723 -3.513 -7.863 1.00 0.00 N ATOM 979 CA LEU A 63 -7.696 -2.796 -8.619 1.00 0.00 C ATOM 980 C LEU A 63 -6.616 -3.757 -9.113 1.00 0.00 C ATOM 981 O LEU A 63 -5.840 -3.426 -10.008 1.00 0.00 O ATOM 982 CB LEU A 63 -7.075 -1.695 -7.752 1.00 0.00 C ATOM 983 CG LEU A 63 -8.061 -0.639 -7.245 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.362 0.351 -6.327 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.712 0.087 -8.413 1.00 0.00 C ATOM 0 H LEU A 63 -8.730 -3.309 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.166 -2.337 -9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.590 -2.159 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.295 -1.196 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.840 -1.145 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.080 1.093 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.943 -0.179 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.561 0.850 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.410 0.834 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.944 0.578 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.250 -0.630 -9.033 1.00 0.00 H new ATOM 997 N ASN A 64 -6.591 -4.945 -8.513 1.00 0.00 N ATOM 998 CA ASN A 64 -5.672 -6.023 -8.890 1.00 0.00 C ATOM 999 C ASN A 64 -4.211 -5.633 -8.671 1.00 0.00 C ATOM 1000 O ASN A 64 -3.514 -5.207 -9.595 1.00 0.00 O ATOM 1001 CB ASN A 64 -5.892 -6.465 -10.344 1.00 0.00 C ATOM 1002 CG ASN A 64 -5.054 -7.677 -10.718 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -3.935 -7.551 -11.221 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.592 -8.865 -10.479 1.00 0.00 N ATOM 0 H ASN A 64 -7.213 -5.191 -7.743 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.895 -6.865 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.947 -6.696 -10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.648 -5.639 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.077 -9.714 -10.713 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.520 -8.930 -10.062 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.738 -5.742 -7.425 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.344 -5.546 -7.091 1.00 0.00 C ATOM 1013 C PRO A 65 -1.578 -6.868 -7.049 1.00 0.00 C ATOM 1014 O PRO A 65 -2.009 -7.828 -6.403 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.425 -4.924 -5.696 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.726 -5.400 -5.110 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.531 -6.031 -6.226 1.00 0.00 C ATOM 0 HA PRO A 65 -1.813 -4.935 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.582 -5.235 -5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.396 -3.836 -5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.545 -6.122 -4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.273 -4.568 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.654 -7.103 -6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.531 -5.601 -6.293 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.455 -6.927 -7.746 1.00 0.00 N ATOM 1026 CA ALA A 66 0.389 -8.110 -7.704 1.00 0.00 C ATOM 1027 C ALA A 66 1.196 -8.103 -6.417 1.00 0.00 C ATOM 1028 O ALA A 66 1.341 -9.125 -5.743 1.00 0.00 O ATOM 1029 CB ALA A 66 1.304 -8.162 -8.917 1.00 0.00 C ATOM 0 H ALA A 66 -0.109 -6.176 -8.343 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.239 -9.001 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.927 -9.055 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.702 -8.191 -9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.940 -7.277 -8.931 1.00 0.00 H new ATOM 1035 N VAL A 67 1.696 -6.929 -6.077 1.00 0.00 N ATOM 1036 CA VAL A 67 2.410 -6.730 -4.832 1.00 0.00 C ATOM 1037 C VAL A 67 1.893 -5.466 -4.147 1.00 0.00 C ATOM 1038 O VAL A 67 1.622 -4.457 -4.803 1.00 0.00 O ATOM 1039 CB VAL A 67 3.941 -6.641 -5.064 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.290 -5.525 -6.038 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.685 -6.459 -3.747 1.00 0.00 C ATOM 0 H VAL A 67 1.619 -6.091 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 67 2.231 -7.590 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 67 4.260 -7.584 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.370 -5.489 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.805 -5.713 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.945 -4.572 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.756 -6.400 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.352 -5.540 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.480 -7.307 -3.093 1.00 0.00 H new ATOM 1051 N ILE A 68 1.716 -5.536 -2.841 1.00 0.00 N ATOM 1052 CA ILE A 68 1.226 -4.400 -2.082 1.00 0.00 C ATOM 1053 C ILE A 68 2.133 -4.120 -0.892 1.00 0.00 C ATOM 1054 O ILE A 68 2.399 -4.997 -0.064 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.239 -4.603 -1.616 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -0.676 -3.459 -0.691 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.414 -5.949 -0.932 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.124 -3.541 -0.257 1.00 0.00 C ATOM 0 H ILE A 68 1.904 -6.369 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 68 1.239 -3.535 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.878 -4.592 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.041 -3.458 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.513 -2.510 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.451 -6.064 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.156 -6.747 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.239 -6.002 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.357 -2.699 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.769 -3.510 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.290 -4.473 0.283 1.00 0.00 H new ATOM 1070 N LEU A 69 2.623 -2.897 -0.828 1.00 0.00 N ATOM 1071 CA LEU A 69 3.507 -2.478 0.241 1.00 0.00 C ATOM 1072 C LEU A 69 2.735 -1.654 1.254 1.00 0.00 C ATOM 1073 O LEU A 69 2.255 -0.562 0.945 1.00 0.00 O ATOM 1074 CB LEU A 69 4.676 -1.673 -0.325 1.00 0.00 C ATOM 1075 CG LEU A 69 5.618 -2.456 -1.240 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.558 -1.509 -1.965 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.410 -3.477 -0.438 1.00 0.00 C ATOM 0 H LEU A 69 2.420 -2.169 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 69 3.907 -3.361 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.278 -0.824 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.254 -1.268 0.505 1.00 0.00 H new ATOM 0 HG LEU A 69 5.020 -2.987 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.223 -2.081 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.977 -0.810 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.150 -0.955 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.076 -4.026 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.999 -2.965 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.723 -4.173 0.043 1.00 0.00 H new ATOM 1089 N LEU A 70 2.599 -2.187 2.452 1.00 0.00 N ATOM 1090 CA LEU A 70 1.852 -1.520 3.498 1.00 0.00 C ATOM 1091 C LEU A 70 2.795 -0.713 4.379 1.00 0.00 C ATOM 1092 O LEU A 70 3.478 -1.265 5.239 1.00 0.00 O ATOM 1093 CB LEU A 70 1.088 -2.551 4.337 1.00 0.00 C ATOM 1094 CG LEU A 70 0.129 -1.972 5.379 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.993 -1.198 4.701 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.439 -3.082 6.250 1.00 0.00 C ATOM 0 H LEU A 70 2.999 -3.085 2.725 1.00 0.00 H new ATOM 0 HA LEU A 70 1.133 -0.839 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.520 -3.193 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.812 -3.186 4.848 1.00 0.00 H new ATOM 0 HG LEU A 70 0.685 -1.283 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.665 -0.794 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.570 -0.380 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.548 -1.865 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.119 -2.654 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.980 -3.793 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.375 -3.595 6.763 1.00 0.00 H new ATOM 1108 N GLY A 71 2.854 0.587 4.133 1.00 0.00 N ATOM 1109 CA GLY A 71 3.697 1.454 4.931 1.00 0.00 C ATOM 1110 C GLY A 71 2.943 2.008 6.117 1.00 0.00 C ATOM 1111 O GLY A 71 2.302 3.053 6.018 1.00 0.00 O ATOM 0 H GLY A 71 2.332 1.058 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.569 0.899 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.065 2.275 4.315 1.00 0.00 H new ATOM 1115 N THR A 72 3.024 1.313 7.241 1.00 0.00 N ATOM 1116 CA THR A 72 2.223 1.644 8.411 1.00 0.00 C ATOM 1117 C THR A 72 2.861 2.750 9.251 1.00 0.00 C ATOM 1118 O THR A 72 2.989 2.623 10.471 1.00 0.00 O ATOM 1119 CB THR A 72 2.013 0.398 9.286 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.277 -0.213 9.573 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.104 -0.604 8.591 1.00 0.00 C ATOM 0 H THR A 72 3.641 0.511 7.369 1.00 0.00 H new ATOM 0 HA THR A 72 1.262 2.007 8.046 1.00 0.00 H new ATOM 0 HB THR A 72 1.538 0.707 10.217 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.573 0.053 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.970 -1.477 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.135 -0.143 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.555 -0.910 7.647 1.00 0.00 H new ATOM 1129 N GLY A 73 3.215 3.847 8.603 1.00 0.00 N ATOM 1130 CA GLY A 73 3.861 4.938 9.294 1.00 0.00 C ATOM 1131 C GLY A 73 5.242 4.576 9.793 1.00 0.00 C ATOM 1132 O GLY A 73 6.051 4.012 9.057 1.00 0.00 O ATOM 0 H GLY A 73 3.065 4.001 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.934 5.795 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.243 5.245 10.138 1.00 0.00 H new ATOM 1136 N GLU A 74 5.504 4.889 11.052 1.00 0.00 N ATOM 1137 CA GLU A 74 6.820 4.688 11.635 1.00 0.00 C ATOM 1138 C GLU A 74 7.025 3.218 12.000 1.00 0.00 C ATOM 1139 O GLU A 74 7.928 2.561 11.484 1.00 0.00 O ATOM 1140 CB GLU A 74 6.972 5.587 12.868 1.00 0.00 C ATOM 1141 CG GLU A 74 8.407 5.964 13.206 1.00 0.00 C ATOM 1142 CD GLU A 74 9.205 4.829 13.813 1.00 0.00 C ATOM 1143 OE1 GLU A 74 9.074 4.595 15.029 1.00 0.00 O ATOM 1144 OE2 GLU A 74 9.979 4.180 13.083 1.00 0.00 O ATOM 0 H GLU A 74 4.817 5.286 11.693 1.00 0.00 H new ATOM 0 HA GLU A 74 7.584 4.958 10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.399 6.500 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.532 5.080 13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.907 6.305 12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.399 6.804 13.901 1.00 0.00 H new ATOM 1151 N ARG A 75 6.172 2.699 12.875 1.00 0.00 N ATOM 1152 CA ARG A 75 6.306 1.325 13.341 1.00 0.00 C ATOM 1153 C ARG A 75 5.644 0.352 12.373 1.00 0.00 C ATOM 1154 O ARG A 75 4.587 0.642 11.812 1.00 0.00 O ATOM 1155 CB ARG A 75 5.693 1.158 14.735 1.00 0.00 C ATOM 1156 CG ARG A 75 6.397 1.949 15.829 1.00 0.00 C ATOM 1157 CD ARG A 75 7.879 1.612 15.910 1.00 0.00 C ATOM 1158 NE ARG A 75 8.328 1.447 17.293 1.00 0.00 N ATOM 1159 CZ ARG A 75 8.967 2.384 17.996 1.00 0.00 C ATOM 1160 NH1 ARG A 75 9.279 3.550 17.444 1.00 0.00 N ATOM 1161 NH2 ARG A 75 9.306 2.148 19.255 1.00 0.00 N ATOM 0 H ARG A 75 5.383 3.207 13.275 1.00 0.00 H new ATOM 0 HA ARG A 75 7.371 1.100 13.393 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.647 1.463 14.698 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.707 0.101 15.001 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.277 3.016 15.640 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.924 1.741 16.789 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.073 0.695 15.354 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.457 2.403 15.433 1.00 0.00 H new ATOM 0 HE ARG A 75 8.140 0.555 17.751 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.030 3.737 16.473 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.768 4.259 17.991 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.078 1.251 19.685 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.795 2.863 19.794 1.00 0.00 H new ATOM 1175 N GLN A 76 6.279 -0.795 12.182 1.00 0.00 N ATOM 1176 CA GLN A 76 5.753 -1.840 11.313 1.00 0.00 C ATOM 1177 C GLN A 76 4.532 -2.499 11.948 1.00 0.00 C ATOM 1178 O GLN A 76 4.633 -3.149 12.989 1.00 0.00 O ATOM 1179 CB GLN A 76 6.836 -2.886 11.051 1.00 0.00 C ATOM 1180 CG GLN A 76 6.418 -3.989 10.094 1.00 0.00 C ATOM 1181 CD GLN A 76 7.440 -5.107 10.033 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.125 -5.393 11.017 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.564 -5.733 8.877 1.00 0.00 N ATOM 0 H GLN A 76 7.169 -1.028 12.622 1.00 0.00 H new ATOM 0 HA GLN A 76 5.450 -1.391 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.718 -2.387 10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.129 -3.335 12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.456 -4.394 10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.279 -3.570 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.977 -5.465 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.246 -6.484 8.774 1.00 0.00 H new ATOM 1192 N GLN A 77 3.383 -2.319 11.320 1.00 0.00 N ATOM 1193 CA GLN A 77 2.131 -2.855 11.826 1.00 0.00 C ATOM 1194 C GLN A 77 1.510 -3.789 10.793 1.00 0.00 C ATOM 1195 O GLN A 77 1.909 -3.783 9.630 1.00 0.00 O ATOM 1196 CB GLN A 77 1.181 -1.706 12.166 1.00 0.00 C ATOM 1197 CG GLN A 77 1.734 -0.768 13.231 1.00 0.00 C ATOM 1198 CD GLN A 77 0.930 0.507 13.379 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.014 0.575 14.162 1.00 0.00 O ATOM 1200 NE2 GLN A 77 1.310 1.535 12.635 1.00 0.00 N ATOM 0 H GLN A 77 3.291 -1.799 10.447 1.00 0.00 H new ATOM 0 HA GLN A 77 2.319 -3.429 12.734 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.972 -1.135 11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.232 -2.117 12.510 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.757 -1.289 14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.764 -0.513 12.982 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.099 1.438 11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.813 2.423 12.701 1.00 0.00 H new ATOM 1209 N PHE A 78 0.534 -4.583 11.211 1.00 0.00 N ATOM 1210 CA PHE A 78 -0.049 -5.593 10.336 1.00 0.00 C ATOM 1211 C PHE A 78 -1.568 -5.660 10.501 1.00 0.00 C ATOM 1212 O PHE A 78 -2.099 -5.336 11.568 1.00 0.00 O ATOM 1213 CB PHE A 78 0.587 -6.965 10.612 1.00 0.00 C ATOM 1214 CG PHE A 78 0.525 -7.395 12.053 1.00 0.00 C ATOM 1215 CD1 PHE A 78 1.524 -7.027 12.942 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -0.527 -8.167 12.518 1.00 0.00 C ATOM 1217 CE1 PHE A 78 1.474 -7.420 14.264 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -0.583 -8.563 13.839 1.00 0.00 C ATOM 1219 CZ PHE A 78 0.419 -8.189 14.714 1.00 0.00 C ATOM 0 H PHE A 78 0.130 -4.549 12.147 1.00 0.00 H new ATOM 0 HA PHE A 78 0.160 -5.310 9.304 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.087 -7.715 9.999 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.630 -6.940 10.297 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.351 -6.425 12.595 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.313 -8.463 11.839 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.259 -7.127 14.946 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.409 -9.165 14.188 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.377 -8.498 15.748 1.00 0.00 H new ATOM 1229 N PRO A 79 -2.282 -6.062 9.435 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.737 -6.190 9.446 1.00 0.00 C ATOM 1231 C PRO A 79 -4.200 -7.495 10.089 1.00 0.00 C ATOM 1232 O PRO A 79 -3.386 -8.335 10.473 1.00 0.00 O ATOM 1233 CB PRO A 79 -4.121 -6.174 7.957 1.00 0.00 C ATOM 1234 CG PRO A 79 -2.841 -6.024 7.193 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.733 -6.419 8.126 1.00 0.00 C ATOM 0 HA PRO A 79 -4.203 -5.395 10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.634 -7.094 7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.802 -5.351 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.844 -6.657 6.305 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.712 -4.997 6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.504 -7.483 8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.810 -5.880 7.912 1.00 0.00 H new ATOM 1243 N SER A 80 -5.510 -7.659 10.194 1.00 0.00 N ATOM 1244 CA SER A 80 -6.086 -8.854 10.790 1.00 0.00 C ATOM 1245 C SER A 80 -6.106 -10.018 9.793 1.00 0.00 C ATOM 1246 O SER A 80 -5.881 -9.829 8.594 1.00 0.00 O ATOM 1247 CB SER A 80 -7.492 -8.544 11.292 1.00 0.00 C ATOM 1248 OG SER A 80 -7.474 -7.450 12.195 1.00 0.00 O ATOM 0 H SER A 80 -6.196 -6.976 9.873 1.00 0.00 H new ATOM 0 HA SER A 80 -5.465 -9.160 11.632 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.142 -8.314 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.909 -9.422 11.785 1.00 0.00 H new ATOM 0 HG SER A 80 -8.386 -7.266 12.504 1.00 0.00 H new ATOM 1254 N THR A 81 -6.403 -11.212 10.297 1.00 0.00 N ATOM 1255 CA THR A 81 -6.307 -12.436 9.521 1.00 0.00 C ATOM 1256 C THR A 81 -7.289 -12.473 8.348 1.00 0.00 C ATOM 1257 O THR A 81 -6.961 -12.985 7.275 1.00 0.00 O ATOM 1258 CB THR A 81 -6.539 -13.649 10.434 1.00 0.00 C ATOM 1259 OG1 THR A 81 -7.607 -13.367 11.348 1.00 0.00 O ATOM 1260 CG2 THR A 81 -5.276 -13.991 11.211 1.00 0.00 C ATOM 0 H THR A 81 -6.717 -11.354 11.257 1.00 0.00 H new ATOM 0 HA THR A 81 -5.303 -12.470 9.098 1.00 0.00 H new ATOM 0 HB THR A 81 -6.804 -14.504 9.812 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.754 -14.143 11.928 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.465 -14.853 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.472 -14.226 10.513 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.985 -13.139 11.826 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.481 -11.919 8.542 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.487 -11.883 7.479 1.00 0.00 C ATOM 1270 C ASP A 82 -9.002 -11.041 6.305 1.00 0.00 C ATOM 1271 O ASP A 82 -9.351 -11.302 5.152 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.822 -11.338 7.998 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.567 -12.333 8.866 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -12.178 -13.271 8.311 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.551 -12.181 10.107 1.00 0.00 O ATOM 0 H ASP A 82 -8.776 -11.490 9.419 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.643 -12.907 7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.640 -10.429 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.450 -11.061 7.151 1.00 0.00 H new ATOM 1280 N VAL A 83 -8.183 -10.042 6.604 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.608 -9.191 5.573 1.00 0.00 C ATOM 1282 C VAL A 83 -6.502 -9.944 4.840 1.00 0.00 C ATOM 1283 O VAL A 83 -6.363 -9.841 3.618 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.032 -7.888 6.169 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -6.571 -6.943 5.067 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.056 -7.208 7.067 1.00 0.00 C ATOM 0 H VAL A 83 -7.902 -9.801 7.554 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.404 -8.925 4.878 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.165 -8.149 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.170 -6.033 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.797 -7.428 4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.416 -6.691 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.630 -6.292 7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.946 -6.966 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.327 -7.878 7.883 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.735 -10.718 5.599 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.660 -11.531 5.042 1.00 0.00 C ATOM 1298 C LEU A 84 -5.222 -12.567 4.073 1.00 0.00 C ATOM 1299 O LEU A 84 -4.680 -12.780 2.992 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.894 -12.237 6.165 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.305 -11.316 7.237 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.667 -12.136 8.347 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.287 -10.366 6.627 1.00 0.00 C ATOM 0 H LEU A 84 -5.839 -10.800 6.610 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.978 -10.875 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.565 -12.947 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.083 -12.815 5.721 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.114 -10.723 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.253 -11.467 9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.420 -12.777 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.870 -12.752 7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.880 -9.720 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.479 -10.941 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.770 -9.755 5.865 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.326 -13.191 4.469 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.972 -14.221 3.660 1.00 0.00 C ATOM 1317 C ALA A 85 -7.388 -13.682 2.294 1.00 0.00 C ATOM 1318 O ALA A 85 -7.301 -14.387 1.286 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.178 -14.786 4.395 1.00 0.00 C ATOM 0 H ALA A 85 -6.797 -13.000 5.354 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.248 -15.019 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.651 -15.553 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.856 -15.224 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.892 -13.986 4.591 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.823 -12.427 2.264 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.250 -11.791 1.023 1.00 0.00 C ATOM 1327 C ALA A 86 -7.072 -11.606 0.072 1.00 0.00 C ATOM 1328 O ALA A 86 -7.226 -11.629 -1.149 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.911 -10.453 1.317 1.00 0.00 C ATOM 0 H ALA A 86 -7.889 -11.829 3.087 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.977 -12.442 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.225 -9.989 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.781 -10.609 1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.201 -9.800 1.825 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.891 -11.436 0.643 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.682 -11.259 -0.142 1.00 0.00 C ATOM 1337 C CYS A 87 -4.127 -12.616 -0.573 1.00 0.00 C ATOM 1338 O CYS A 87 -3.679 -12.785 -1.708 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.642 -10.489 0.675 1.00 0.00 C ATOM 1340 SG CYS A 87 -4.267 -8.947 1.385 1.00 0.00 S ATOM 0 H CYS A 87 -5.744 -11.417 1.652 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.920 -10.686 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.280 -11.128 1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.787 -10.264 0.038 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.122 -9.218 2.326 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.188 -13.582 0.339 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.681 -14.926 0.085 1.00 0.00 C ATOM 1348 C LEU A 88 -4.443 -15.604 -1.048 1.00 0.00 C ATOM 1349 O LEU A 88 -3.842 -16.224 -1.926 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.785 -15.786 1.349 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.915 -15.339 2.525 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -3.210 -16.189 3.751 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -1.440 -15.424 2.163 1.00 0.00 C ATOM 0 H LEU A 88 -4.588 -13.456 1.269 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.635 -14.829 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.825 -15.799 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.519 -16.811 1.092 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.152 -14.300 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.584 -15.860 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.260 -16.082 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.998 -17.235 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.838 -15.102 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.187 -16.453 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.237 -14.778 1.309 1.00 0.00 H new ATOM 1365 N THR A 89 -5.765 -15.467 -1.031 1.00 0.00 N ATOM 1366 CA THR A 89 -6.622 -16.133 -2.006 1.00 0.00 C ATOM 1367 C THR A 89 -6.368 -15.637 -3.428 1.00 0.00 C ATOM 1368 O THR A 89 -6.524 -16.388 -4.391 1.00 0.00 O ATOM 1369 CB THR A 89 -8.110 -15.949 -1.654 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.349 -14.602 -1.227 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.532 -16.915 -0.559 1.00 0.00 C ATOM 0 H THR A 89 -6.268 -14.898 -0.350 1.00 0.00 H new ATOM 0 HA THR A 89 -6.372 -17.193 -1.966 1.00 0.00 H new ATOM 0 HB THR A 89 -8.700 -16.158 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.122 -14.514 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.587 -16.765 -0.328 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.376 -17.939 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.936 -16.734 0.335 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.972 -14.377 -3.559 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.685 -13.812 -4.873 1.00 0.00 C ATOM 1381 C ARG A 90 -4.196 -13.893 -5.194 1.00 0.00 C ATOM 1382 O ARG A 90 -3.780 -13.614 -6.317 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.161 -12.360 -4.961 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.664 -12.199 -4.806 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.103 -10.782 -5.130 1.00 0.00 C ATOM 1386 NE ARG A 90 -9.538 -10.589 -4.937 1.00 0.00 N ATOM 1387 CZ ARG A 90 -10.327 -9.948 -5.800 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -9.835 -9.499 -6.952 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.607 -9.753 -5.515 1.00 0.00 N ATOM 0 H ARG A 90 -5.843 -13.732 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.230 -14.403 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.660 -11.776 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.857 -11.945 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.177 -12.900 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.955 -12.448 -3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.556 -10.081 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.843 -10.551 -6.163 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.962 -10.968 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.851 -9.645 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.442 -9.009 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.991 -10.094 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.208 -9.262 -6.177 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.400 -14.282 -4.207 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.968 -14.406 -4.409 1.00 0.00 C ATOM 1405 C GLY A 91 -1.279 -13.060 -4.482 1.00 0.00 C ATOM 1406 O GLY A 91 -0.378 -12.852 -5.299 1.00 0.00 O ATOM 0 H GLY A 91 -3.721 -14.515 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.538 -14.988 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.780 -14.958 -5.330 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.707 -12.145 -3.629 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.155 -10.802 -3.601 1.00 0.00 C ATOM 1412 C ILE A 92 -0.006 -10.722 -2.605 1.00 0.00 C ATOM 1413 O ILE A 92 -0.164 -11.075 -1.436 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.236 -9.768 -3.225 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.422 -9.871 -4.188 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.654 -8.359 -3.238 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.562 -8.940 -3.849 1.00 0.00 C ATOM 0 H ILE A 92 -2.442 -12.310 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.784 -10.573 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.589 -9.982 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.077 -9.656 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.790 -10.897 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.430 -7.642 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.838 -8.296 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.277 -8.130 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.365 -9.069 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.934 -9.169 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.210 -7.909 -3.877 1.00 0.00 H new ATOM 1429 N GLY A 93 1.147 -10.266 -3.075 1.00 0.00 N ATOM 1430 CA GLY A 93 2.304 -10.140 -2.212 1.00 0.00 C ATOM 1431 C GLY A 93 2.171 -8.985 -1.241 1.00 0.00 C ATOM 1432 O GLY A 93 2.461 -7.841 -1.584 1.00 0.00 O ATOM 0 H GLY A 93 1.302 -9.980 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.442 -11.067 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.196 -9.999 -2.822 1.00 0.00 H new ATOM 1436 N LEU A 94 1.720 -9.285 -0.030 1.00 0.00 N ATOM 1437 CA LEU A 94 1.531 -8.268 0.994 1.00 0.00 C ATOM 1438 C LEU A 94 2.767 -8.153 1.879 1.00 0.00 C ATOM 1439 O LEU A 94 3.141 -9.105 2.570 1.00 0.00 O ATOM 1440 CB LEU A 94 0.300 -8.596 1.848 1.00 0.00 C ATOM 1441 CG LEU A 94 0.057 -7.665 3.043 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.148 -6.229 2.584 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.141 -8.139 3.848 1.00 0.00 C ATOM 0 H LEU A 94 1.477 -10.230 0.267 1.00 0.00 H new ATOM 0 HA LEU A 94 1.373 -7.310 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.581 -8.573 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.398 -9.616 2.219 1.00 0.00 H new ATOM 0 HG LEU A 94 0.941 -7.694 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.318 -5.591 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.739 -5.887 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.012 -6.179 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.300 -7.468 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.028 -8.141 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.956 -9.148 4.216 1.00 0.00 H new ATOM 1455 N GLU A 95 3.403 -6.993 1.845 1.00 0.00 N ATOM 1456 CA GLU A 95 4.550 -6.730 2.696 1.00 0.00 C ATOM 1457 C GLU A 95 4.284 -5.541 3.605 1.00 0.00 C ATOM 1458 O GLU A 95 4.048 -4.428 3.134 1.00 0.00 O ATOM 1459 CB GLU A 95 5.806 -6.462 1.866 1.00 0.00 C ATOM 1460 CG GLU A 95 6.245 -7.636 1.009 1.00 0.00 C ATOM 1461 CD GLU A 95 7.687 -7.512 0.571 1.00 0.00 C ATOM 1462 OE1 GLU A 95 8.584 -7.672 1.426 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.935 -7.256 -0.624 1.00 0.00 O ATOM 0 H GLU A 95 3.143 -6.218 1.235 1.00 0.00 H new ATOM 0 HA GLU A 95 4.714 -7.620 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.625 -5.602 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.621 -6.191 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.115 -8.562 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.604 -7.703 0.130 1.00 0.00 H new ATOM 1470 N ALA A 96 4.307 -5.787 4.904 1.00 0.00 N ATOM 1471 CA ALA A 96 4.185 -4.721 5.881 1.00 0.00 C ATOM 1472 C ALA A 96 5.550 -4.088 6.109 1.00 0.00 C ATOM 1473 O ALA A 96 6.480 -4.753 6.560 1.00 0.00 O ATOM 1474 CB ALA A 96 3.612 -5.255 7.185 1.00 0.00 C ATOM 0 H ALA A 96 4.409 -6.719 5.306 1.00 0.00 H new ATOM 0 HA ALA A 96 3.500 -3.962 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.528 -4.441 7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.626 -5.681 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.272 -6.026 7.584 1.00 0.00 H new ATOM 1480 N MET A 97 5.670 -2.813 5.786 1.00 0.00 N ATOM 1481 CA MET A 97 6.953 -2.129 5.838 1.00 0.00 C ATOM 1482 C MET A 97 6.830 -0.800 6.566 1.00 0.00 C ATOM 1483 O MET A 97 5.726 -0.348 6.878 1.00 0.00 O ATOM 1484 CB MET A 97 7.485 -1.881 4.422 1.00 0.00 C ATOM 1485 CG MET A 97 7.775 -3.147 3.629 1.00 0.00 C ATOM 1486 SD MET A 97 9.180 -4.069 4.281 1.00 0.00 S ATOM 1487 CE MET A 97 10.502 -2.881 4.044 1.00 0.00 C ATOM 0 H MET A 97 4.892 -2.227 5.483 1.00 0.00 H new ATOM 0 HA MET A 97 7.649 -2.768 6.381 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.758 -1.282 3.874 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.399 -1.291 4.489 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.892 -3.786 3.636 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.969 -2.883 2.589 1.00 0.00 H new ATOM 0 HE1 MET A 97 11.459 -3.402 4.021 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.353 -2.354 3.102 1.00 0.00 H new ATOM 0 HE3 MET A 97 10.499 -2.164 4.865 1.00 0.00 H new ATOM 1497 N THR A 98 7.965 -0.178 6.830 1.00 0.00 N ATOM 1498 CA THR A 98 7.985 1.155 7.392 1.00 0.00 C ATOM 1499 C THR A 98 7.792 2.171 6.275 1.00 0.00 C ATOM 1500 O THR A 98 8.121 1.894 5.120 1.00 0.00 O ATOM 1501 CB THR A 98 9.305 1.429 8.140 1.00 0.00 C ATOM 1502 OG1 THR A 98 10.423 1.146 7.289 1.00 0.00 O ATOM 1503 CG2 THR A 98 9.396 0.579 9.399 1.00 0.00 C ATOM 0 H THR A 98 8.888 -0.579 6.662 1.00 0.00 H new ATOM 0 HA THR A 98 7.173 1.241 8.115 1.00 0.00 H new ATOM 0 HB THR A 98 9.323 2.481 8.424 1.00 0.00 H new ATOM 0 HG1 THR A 98 11.256 1.325 7.773 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.335 0.788 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.562 0.816 10.059 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.357 -0.476 9.129 1.00 0.00 H new ATOM 1511 N ASN A 99 7.252 3.331 6.615 1.00 0.00 N ATOM 1512 CA ASN A 99 6.911 4.348 5.625 1.00 0.00 C ATOM 1513 C ASN A 99 8.130 4.734 4.785 1.00 0.00 C ATOM 1514 O ASN A 99 8.073 4.739 3.554 1.00 0.00 O ATOM 1515 CB ASN A 99 6.335 5.577 6.334 1.00 0.00 C ATOM 1516 CG ASN A 99 5.665 6.552 5.390 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.288 7.483 4.889 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.380 6.351 5.151 1.00 0.00 N ATOM 0 H ASN A 99 7.038 3.596 7.577 1.00 0.00 H new ATOM 0 HA ASN A 99 6.162 3.938 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.612 5.251 7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.136 6.090 6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.872 6.982 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.897 5.565 5.587 1.00 0.00 H new ATOM 1525 N ALA A 100 9.237 5.021 5.457 1.00 0.00 N ATOM 1526 CA ALA A 100 10.467 5.430 4.787 1.00 0.00 C ATOM 1527 C ALA A 100 11.016 4.336 3.873 1.00 0.00 C ATOM 1528 O ALA A 100 11.496 4.620 2.774 1.00 0.00 O ATOM 1529 CB ALA A 100 11.517 5.830 5.812 1.00 0.00 C ATOM 0 H ALA A 100 9.309 4.978 6.474 1.00 0.00 H new ATOM 0 HA ALA A 100 10.225 6.289 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.430 6.133 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.144 6.662 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.731 4.983 6.463 1.00 0.00 H new ATOM 1535 N ALA A 101 10.942 3.087 4.320 1.00 0.00 N ATOM 1536 CA ALA A 101 11.494 1.976 3.554 1.00 0.00 C ATOM 1537 C ALA A 101 10.595 1.610 2.381 1.00 0.00 C ATOM 1538 O ALA A 101 11.080 1.328 1.286 1.00 0.00 O ATOM 1539 CB ALA A 101 11.716 0.765 4.445 1.00 0.00 C ATOM 0 H ALA A 101 10.508 2.820 5.203 1.00 0.00 H new ATOM 0 HA ALA A 101 12.456 2.298 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.128 -0.052 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.413 1.023 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.766 0.454 4.880 1.00 0.00 H new ATOM 1545 N ALA A 102 9.286 1.631 2.612 1.00 0.00 N ATOM 1546 CA ALA A 102 8.316 1.292 1.576 1.00 0.00 C ATOM 1547 C ALA A 102 8.442 2.232 0.381 1.00 0.00 C ATOM 1548 O ALA A 102 8.284 1.816 -0.769 1.00 0.00 O ATOM 1549 CB ALA A 102 6.903 1.339 2.137 1.00 0.00 C ATOM 0 H ALA A 102 8.872 1.880 3.510 1.00 0.00 H new ATOM 0 HA ALA A 102 8.525 0.278 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.191 1.084 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.812 0.625 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.691 2.342 2.506 1.00 0.00 H new ATOM 1555 N ALA A 103 8.739 3.495 0.665 1.00 0.00 N ATOM 1556 CA ALA A 103 8.936 4.491 -0.379 1.00 0.00 C ATOM 1557 C ALA A 103 10.103 4.111 -1.288 1.00 0.00 C ATOM 1558 O ALA A 103 10.050 4.311 -2.502 1.00 0.00 O ATOM 1559 CB ALA A 103 9.172 5.861 0.240 1.00 0.00 C ATOM 0 H ALA A 103 8.849 3.853 1.614 1.00 0.00 H new ATOM 0 HA ALA A 103 8.033 4.528 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.318 6.597 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.308 6.142 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.059 5.827 0.872 1.00 0.00 H new ATOM 1565 N ARG A 104 11.148 3.542 -0.694 1.00 0.00 N ATOM 1566 CA ARG A 104 12.331 3.151 -1.451 1.00 0.00 C ATOM 1567 C ARG A 104 12.015 1.968 -2.357 1.00 0.00 C ATOM 1568 O ARG A 104 12.455 1.919 -3.507 1.00 0.00 O ATOM 1569 CB ARG A 104 13.486 2.783 -0.518 1.00 0.00 C ATOM 1570 CG ARG A 104 13.817 3.849 0.511 1.00 0.00 C ATOM 1571 CD ARG A 104 15.099 3.518 1.256 1.00 0.00 C ATOM 1572 NE ARG A 104 15.126 2.133 1.728 1.00 0.00 N ATOM 1573 CZ ARG A 104 15.555 1.761 2.932 1.00 0.00 C ATOM 1574 NH1 ARG A 104 15.924 2.671 3.826 1.00 0.00 N ATOM 1575 NH2 ARG A 104 15.599 0.472 3.245 1.00 0.00 N ATOM 0 H ARG A 104 11.199 3.342 0.305 1.00 0.00 H new ATOM 0 HA ARG A 104 12.631 4.004 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.238 1.857 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 104 14.374 2.584 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 104 13.920 4.815 0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 104 12.995 3.940 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.953 3.693 0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.207 4.191 2.106 1.00 0.00 H new ATOM 0 HE ARG A 104 14.795 1.406 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.880 3.663 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 104 16.252 2.378 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.305 -0.228 2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.927 0.182 4.166 1.00 0.00 H new ATOM 1589 N THR A 105 11.253 1.016 -1.834 1.00 0.00 N ATOM 1590 CA THR A 105 10.857 -0.150 -2.604 1.00 0.00 C ATOM 1591 C THR A 105 9.947 0.260 -3.760 1.00 0.00 C ATOM 1592 O THR A 105 10.086 -0.238 -4.883 1.00 0.00 O ATOM 1593 CB THR A 105 10.129 -1.176 -1.720 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.809 -1.310 -0.465 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.069 -2.531 -2.410 1.00 0.00 C ATOM 0 H THR A 105 10.898 1.031 -0.878 1.00 0.00 H new ATOM 0 HA THR A 105 11.763 -0.609 -3.000 1.00 0.00 H new ATOM 0 HB THR A 105 9.113 -0.822 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.339 -1.964 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.550 -3.243 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.533 -2.435 -3.354 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.081 -2.886 -2.602 1.00 0.00 H new ATOM 1603 N TYR A 106 9.026 1.181 -3.481 1.00 0.00 N ATOM 1604 CA TYR A 106 8.127 1.702 -4.502 1.00 0.00 C ATOM 1605 C TYR A 106 8.919 2.340 -5.639 1.00 0.00 C ATOM 1606 O TYR A 106 8.599 2.143 -6.807 1.00 0.00 O ATOM 1607 CB TYR A 106 7.154 2.723 -3.901 1.00 0.00 C ATOM 1608 CG TYR A 106 6.277 3.407 -4.931 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.182 2.756 -5.485 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.551 4.703 -5.352 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.388 3.375 -6.433 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.762 5.328 -6.298 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.681 4.662 -6.834 1.00 0.00 C ATOM 1614 OH TYR A 106 3.895 5.284 -7.778 1.00 0.00 O ATOM 0 H TYR A 106 8.885 1.581 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 106 7.551 0.867 -4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.519 2.221 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.723 3.480 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.947 1.750 -5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.395 5.230 -4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.543 2.853 -6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.991 6.334 -6.616 1.00 0.00 H new ATOM 0 HH TYR A 106 4.238 6.186 -7.946 1.00 0.00 H new ATOM 1624 N ASN A 107 9.960 3.088 -5.280 1.00 0.00 N ATOM 1625 CA ASN A 107 10.837 3.728 -6.263 1.00 0.00 C ATOM 1626 C ASN A 107 11.336 2.721 -7.298 1.00 0.00 C ATOM 1627 O ASN A 107 11.341 3.000 -8.492 1.00 0.00 O ATOM 1628 CB ASN A 107 12.024 4.397 -5.552 1.00 0.00 C ATOM 1629 CG ASN A 107 13.178 4.729 -6.486 1.00 0.00 C ATOM 1630 OD1 ASN A 107 14.092 3.924 -6.664 1.00 0.00 O ATOM 1631 ND2 ASN A 107 13.151 5.911 -7.083 1.00 0.00 N ATOM 0 H ASN A 107 10.219 3.268 -4.310 1.00 0.00 H new ATOM 0 HA ASN A 107 10.261 4.489 -6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.681 5.313 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.384 3.737 -4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 107 13.905 6.180 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 107 12.376 6.552 -6.911 1.00 0.00 H new ATOM 1638 N VAL A 108 11.723 1.541 -6.835 1.00 0.00 N ATOM 1639 CA VAL A 108 12.242 0.509 -7.722 1.00 0.00 C ATOM 1640 C VAL A 108 11.116 -0.126 -8.538 1.00 0.00 C ATOM 1641 O VAL A 108 11.178 -0.178 -9.767 1.00 0.00 O ATOM 1642 CB VAL A 108 12.983 -0.593 -6.932 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.604 -1.613 -7.878 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.043 0.016 -6.027 1.00 0.00 C ATOM 0 H VAL A 108 11.688 1.274 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 108 12.948 0.992 -8.397 1.00 0.00 H new ATOM 0 HB VAL A 108 12.255 -1.110 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.120 -2.379 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.821 -2.077 -8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.316 -1.114 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.553 -0.777 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.766 0.563 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.570 0.698 -5.321 1.00 0.00 H new ATOM 1654 N LEU A 109 10.073 -0.579 -7.847 1.00 0.00 N ATOM 1655 CA LEU A 109 8.982 -1.312 -8.488 1.00 0.00 C ATOM 1656 C LEU A 109 8.223 -0.443 -9.491 1.00 0.00 C ATOM 1657 O LEU A 109 7.809 -0.921 -10.549 1.00 0.00 O ATOM 1658 CB LEU A 109 8.017 -1.856 -7.430 1.00 0.00 C ATOM 1659 CG LEU A 109 8.648 -2.797 -6.399 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.603 -3.274 -5.403 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.309 -3.984 -7.085 1.00 0.00 C ATOM 0 H LEU A 109 9.959 -0.452 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 109 9.424 -2.143 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.567 -1.014 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.209 -2.385 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 109 9.416 -2.244 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.069 -3.941 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.177 -2.416 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.813 -3.807 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.750 -4.639 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.562 -4.537 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.088 -3.627 -7.758 1.00 0.00 H new ATOM 1673 N ALA A 110 8.054 0.834 -9.164 1.00 0.00 N ATOM 1674 CA ALA A 110 7.327 1.754 -10.032 1.00 0.00 C ATOM 1675 C ALA A 110 8.142 2.108 -11.271 1.00 0.00 C ATOM 1676 O ALA A 110 7.580 2.433 -12.315 1.00 0.00 O ATOM 1677 CB ALA A 110 6.942 3.015 -9.273 1.00 0.00 C ATOM 0 H ALA A 110 8.410 1.255 -8.306 1.00 0.00 H new ATOM 0 HA ALA A 110 6.417 1.252 -10.360 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.401 3.689 -9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.307 2.751 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.842 3.510 -8.909 1.00 0.00 H new ATOM 1683 N SER A 111 9.463 2.026 -11.160 1.00 0.00 N ATOM 1684 CA SER A 111 10.339 2.340 -12.282 1.00 0.00 C ATOM 1685 C SER A 111 10.354 1.201 -13.298 1.00 0.00 C ATOM 1686 O SER A 111 10.754 1.386 -14.448 1.00 0.00 O ATOM 1687 CB SER A 111 11.758 2.633 -11.791 1.00 0.00 C ATOM 1688 OG SER A 111 11.775 3.758 -10.927 1.00 0.00 O ATOM 0 H SER A 111 9.949 1.746 -10.308 1.00 0.00 H new ATOM 0 HA SER A 111 9.950 3.231 -12.774 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.153 1.762 -11.268 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.411 2.815 -12.644 1.00 0.00 H new ATOM 0 HG SER A 111 12.008 3.470 -10.020 1.00 0.00 H new ATOM 1694 N GLU A 112 9.926 0.020 -12.872 1.00 0.00 N ATOM 1695 CA GLU A 112 9.835 -1.118 -13.774 1.00 0.00 C ATOM 1696 C GLU A 112 8.435 -1.194 -14.382 1.00 0.00 C ATOM 1697 O GLU A 112 8.229 -1.819 -15.424 1.00 0.00 O ATOM 1698 CB GLU A 112 10.177 -2.417 -13.037 1.00 0.00 C ATOM 1699 CG GLU A 112 10.289 -3.624 -13.957 1.00 0.00 C ATOM 1700 CD GLU A 112 10.747 -4.872 -13.235 1.00 0.00 C ATOM 1701 OE1 GLU A 112 11.971 -5.092 -13.142 1.00 0.00 O ATOM 1702 OE2 GLU A 112 9.887 -5.645 -12.768 1.00 0.00 O ATOM 0 H GLU A 112 9.638 -0.174 -11.913 1.00 0.00 H new ATOM 0 HA GLU A 112 10.557 -0.986 -14.580 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.119 -2.287 -12.505 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.411 -2.612 -12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.321 -3.813 -14.420 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.989 -3.398 -14.762 1.00 0.00 H new ATOM 1709 N GLY A 113 7.486 -0.532 -13.733 1.00 0.00 N ATOM 1710 CA GLY A 113 6.120 -0.531 -14.217 1.00 0.00 C ATOM 1711 C GLY A 113 5.342 -1.739 -13.744 1.00 0.00 C ATOM 1712 O GLY A 113 4.586 -2.339 -14.512 1.00 0.00 O ATOM 0 H GLY A 113 7.638 0.005 -12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.618 0.376 -13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.123 -0.508 -15.307 1.00 0.00 H new ATOM 1716 N ARG A 114 5.530 -2.101 -12.482 1.00 0.00 N ATOM 1717 CA ARG A 114 4.827 -3.239 -11.902 1.00 0.00 C ATOM 1718 C ARG A 114 3.471 -2.822 -11.354 1.00 0.00 C ATOM 1719 O ARG A 114 3.180 -1.632 -11.216 1.00 0.00 O ATOM 1720 CB ARG A 114 5.639 -3.866 -10.770 1.00 0.00 C ATOM 1721 CG ARG A 114 6.907 -4.566 -11.217 1.00 0.00 C ATOM 1722 CD ARG A 114 7.489 -5.375 -10.074 1.00 0.00 C ATOM 1723 NE ARG A 114 8.728 -6.051 -10.439 1.00 0.00 N ATOM 1724 CZ ARG A 114 9.282 -7.016 -9.711 1.00 0.00 C ATOM 1725 NH1 ARG A 114 8.657 -7.480 -8.636 1.00 0.00 N ATOM 1726 NH2 ARG A 114 10.448 -7.532 -10.071 1.00 0.00 N ATOM 0 H ARG A 114 6.163 -1.624 -11.840 1.00 0.00 H new ATOM 0 HA ARG A 114 4.689 -3.969 -12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.902 -3.087 -10.055 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.010 -4.583 -10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.692 -5.220 -12.062 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.635 -3.831 -11.560 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.675 -4.716 -9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.758 -6.115 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 114 9.196 -5.768 -11.300 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.751 -7.096 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.083 -8.220 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.921 -7.189 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.872 -8.272 -9.512 1.00 0.00 H new ATOM 1740 N ARG A 115 2.654 -3.810 -11.018 1.00 0.00 N ATOM 1741 CA ARG A 115 1.365 -3.555 -10.403 1.00 0.00 C ATOM 1742 C ARG A 115 1.515 -3.550 -8.890 1.00 0.00 C ATOM 1743 O ARG A 115 1.115 -4.492 -8.200 1.00 0.00 O ATOM 1744 CB ARG A 115 0.333 -4.596 -10.842 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.028 -4.485 -12.312 1.00 0.00 C ATOM 1746 CD ARG A 115 -0.972 -5.591 -12.747 1.00 0.00 C ATOM 1747 NE ARG A 115 -1.366 -5.439 -14.147 1.00 0.00 N ATOM 1748 CZ ARG A 115 -1.033 -6.286 -15.116 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -0.279 -7.348 -14.852 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -1.445 -6.059 -16.356 1.00 0.00 N ATOM 0 H ARG A 115 2.864 -4.798 -11.163 1.00 0.00 H new ATOM 0 HA ARG A 115 1.007 -2.578 -10.729 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.724 -5.594 -10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.569 -4.481 -10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.492 -3.517 -12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.880 -4.525 -12.913 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.490 -6.558 -12.607 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.860 -5.583 -12.115 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.934 -4.629 -14.397 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.048 -7.517 -13.901 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.027 -7.994 -15.601 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.014 -5.238 -16.562 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.193 -6.705 -17.104 1.00 0.00 H new ATOM 1764 N VAL A 116 2.136 -2.492 -8.394 1.00 0.00 N ATOM 1765 CA VAL A 116 2.394 -2.348 -6.976 1.00 0.00 C ATOM 1766 C VAL A 116 1.441 -1.336 -6.355 1.00 0.00 C ATOM 1767 O VAL A 116 1.316 -0.203 -6.824 1.00 0.00 O ATOM 1768 CB VAL A 116 3.866 -1.939 -6.700 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.248 -0.680 -7.468 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.105 -1.750 -5.208 1.00 0.00 C ATOM 0 H VAL A 116 2.473 -1.714 -8.962 1.00 0.00 H new ATOM 0 HA VAL A 116 2.225 -3.321 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 116 4.504 -2.750 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.285 -0.422 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.134 -0.857 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.599 0.142 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.143 -1.464 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.447 -0.968 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.896 -2.683 -4.685 1.00 0.00 H new ATOM 1780 N ALA A 117 0.746 -1.765 -5.318 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.142 -0.887 -4.586 1.00 0.00 C ATOM 1782 C ALA A 117 0.541 -0.412 -3.317 1.00 0.00 C ATOM 1783 O ALA A 117 0.719 -1.183 -2.373 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.448 -1.597 -4.260 1.00 0.00 C ATOM 0 H ALA A 117 0.781 -2.721 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.376 -0.022 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.102 -0.921 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.937 -1.902 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.241 -2.477 -3.651 1.00 0.00 H new ATOM 1790 N LEU A 118 0.954 0.840 -3.304 1.00 0.00 N ATOM 1791 CA LEU A 118 1.598 1.402 -2.133 1.00 0.00 C ATOM 1792 C LEU A 118 0.547 1.960 -1.184 1.00 0.00 C ATOM 1793 O LEU A 118 0.035 3.060 -1.388 1.00 0.00 O ATOM 1794 CB LEU A 118 2.591 2.498 -2.536 1.00 0.00 C ATOM 1795 CG LEU A 118 3.404 3.099 -1.385 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.291 2.042 -0.749 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.240 4.270 -1.881 1.00 0.00 C ATOM 0 H LEU A 118 0.856 1.485 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 118 2.152 0.613 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.282 2.087 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.042 3.300 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 118 2.711 3.465 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.861 2.488 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.672 1.234 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.978 1.645 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.812 4.686 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.924 3.926 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.584 5.038 -2.291 1.00 0.00 H new ATOM 1809 N ALA A 119 0.201 1.176 -0.175 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.744 1.609 0.836 1.00 0.00 C ATOM 1811 C ALA A 119 -0.010 2.395 1.907 1.00 0.00 C ATOM 1812 O ALA A 119 0.557 1.826 2.843 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.479 0.417 1.430 1.00 0.00 C ATOM 0 H ALA A 119 0.564 0.233 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.492 2.256 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.183 0.764 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.021 -0.106 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.760 -0.262 1.888 1.00 0.00 H new ATOM 1819 N MET A 120 0.002 3.703 1.745 1.00 0.00 N ATOM 1820 CA MET A 120 0.803 4.568 2.586 1.00 0.00 C ATOM 1821 C MET A 120 -0.027 5.116 3.738 1.00 0.00 C ATOM 1822 O MET A 120 -0.946 5.909 3.531 1.00 0.00 O ATOM 1823 CB MET A 120 1.367 5.712 1.746 1.00 0.00 C ATOM 1824 CG MET A 120 2.784 6.113 2.112 1.00 0.00 C ATOM 1825 SD MET A 120 3.962 4.770 1.870 1.00 0.00 S ATOM 1826 CE MET A 120 5.512 5.662 1.960 1.00 0.00 C ATOM 0 H MET A 120 -0.539 4.193 1.032 1.00 0.00 H new ATOM 0 HA MET A 120 1.626 3.991 3.008 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.343 5.422 0.695 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.717 6.580 1.852 1.00 0.00 H new ATOM 0 HG2 MET A 120 3.084 6.969 1.508 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.811 6.433 3.154 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.141 5.386 1.114 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.317 6.734 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.023 5.410 2.889 1.00 0.00 H new ATOM 1836 N ILE A 121 0.282 4.665 4.943 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.389 5.148 6.139 1.00 0.00 C ATOM 1838 C ILE A 121 0.526 6.109 6.885 1.00 0.00 C ATOM 1839 O ILE A 121 1.647 5.746 7.243 1.00 0.00 O ATOM 1840 CB ILE A 121 -0.773 3.987 7.087 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -1.613 2.942 6.345 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -1.531 4.519 8.299 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -1.969 1.734 7.191 1.00 0.00 C ATOM 0 H ILE A 121 0.998 3.960 5.119 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.302 5.654 5.825 1.00 0.00 H new ATOM 0 HB ILE A 121 0.142 3.508 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.532 3.411 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.066 2.609 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.794 3.690 8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -0.902 5.226 8.840 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.440 5.022 7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -2.564 1.038 6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.056 1.240 7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.544 2.055 8.060 1.00 0.00 H new ATOM 1855 N VAL A 122 0.063 7.334 7.093 1.00 0.00 N ATOM 1856 CA VAL A 122 0.843 8.325 7.823 1.00 0.00 C ATOM 1857 C VAL A 122 0.021 8.966 8.938 1.00 0.00 C ATOM 1858 O VAL A 122 -0.944 9.684 8.685 1.00 0.00 O ATOM 1859 CB VAL A 122 1.405 9.417 6.884 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.556 8.866 6.061 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.323 9.962 5.964 1.00 0.00 C ATOM 0 H VAL A 122 -0.845 7.665 6.768 1.00 0.00 H new ATOM 0 HA VAL A 122 1.685 7.796 8.271 1.00 0.00 H new ATOM 0 HB VAL A 122 1.770 10.235 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.941 9.647 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.350 8.528 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.205 8.028 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.749 10.728 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.078 9.152 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.478 10.397 6.562 1.00 0.00 H new ATOM 1871 N GLY A 123 0.408 8.682 10.173 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.288 9.238 11.316 1.00 0.00 C ATOM 1873 C GLY A 123 -0.952 8.169 12.162 1.00 0.00 C ATOM 1874 O GLY A 123 -0.849 6.975 11.859 1.00 0.00 O ATOM 0 H GLY A 123 1.194 8.075 10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.417 9.798 11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.042 9.945 10.971 1.00 0.00 H new