USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=18 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 97 MET CE :methyl -141:sc= -1.44 (180deg=-1.11) USER MOD Set 1.2: A 105 THR OG1 : rot -110:sc= 0.0126 USER MOD Single : A 21 HIS : no HD1:sc= -0.0285 X(o=-0.028,f=-0.035) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -0.0384 (180deg=-0.201) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 123:sc= -0.208 USER MOD Single : A 36 MET CE :methyl 142:sc= -0.696 (180deg=-1.67!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -15:sc= 0.661 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.013 F(o=-1.1,f=-0.013) USER MOD Single : A 56 HIS : no HD1:sc= 0.747 K(o=0.75,f=-2.5!) USER MOD Single : A 57 MET CE :methyl 170:sc= -0.0901 (180deg=-0.177) USER MOD Single : A 64 ASN : amide:sc= 0.712 K(o=0.71,f=-4.3!) USER MOD Single : A 72 THR OG1 : rot 98:sc= 1.39 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.0945 X(o=-0.094,f=-0.48) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -72:sc= -0.018 USER MOD Single : A 89 THR OG1 : rot 5:sc= 1.06 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 99 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.2) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= -0.194 F(o=-1.3!,f=-0.19) USER MOD Single : A 111 SER OG : rot 9:sc= 1.13 USER MOD Single : A 120 MET CE :methyl -108:sc= -4.93! (180deg=-5!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 9.143 13.240 -1.422 1.00 0.00 N ATOM 229 CA ARG A 15 10.135 14.300 -1.283 1.00 0.00 C ATOM 230 C ARG A 15 10.508 14.474 0.184 1.00 0.00 C ATOM 231 O ARG A 15 11.541 15.056 0.518 1.00 0.00 O ATOM 232 CB ARG A 15 9.594 15.610 -1.867 1.00 0.00 C ATOM 233 CG ARG A 15 9.088 15.463 -3.296 1.00 0.00 C ATOM 234 CD ARG A 15 8.619 16.787 -3.875 1.00 0.00 C ATOM 235 NE ARG A 15 9.733 17.686 -4.164 1.00 0.00 N ATOM 236 CZ ARG A 15 9.668 18.707 -5.016 1.00 0.00 C ATOM 237 NH1 ARG A 15 8.524 18.999 -5.630 1.00 0.00 N ATOM 238 NH2 ARG A 15 10.747 19.448 -5.238 1.00 0.00 N ATOM 0 HA ARG A 15 11.032 14.025 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.783 15.974 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.381 16.364 -1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.882 15.055 -3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.266 14.747 -3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.056 16.603 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.938 17.268 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 15 10.617 17.521 -3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.691 18.439 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.480 19.782 -6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.621 19.234 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.702 20.231 -5.890 1.00 0.00 H new ATOM 252 N ALA A 16 9.649 13.955 1.051 1.00 0.00 N ATOM 253 CA ALA A 16 9.903 13.928 2.482 1.00 0.00 C ATOM 254 C ALA A 16 9.103 12.802 3.115 1.00 0.00 C ATOM 255 O ALA A 16 7.872 12.760 2.994 1.00 0.00 O ATOM 256 CB ALA A 16 9.554 15.262 3.125 1.00 0.00 C ATOM 0 H ALA A 16 8.757 13.541 0.780 1.00 0.00 H new ATOM 0 HA ALA A 16 10.966 13.752 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.754 15.213 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.160 16.051 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.498 15.479 2.962 1.00 0.00 H new ATOM 262 N ALA A 17 9.798 11.892 3.778 1.00 0.00 N ATOM 263 CA ALA A 17 9.166 10.722 4.363 1.00 0.00 C ATOM 264 C ALA A 17 9.193 10.801 5.880 1.00 0.00 C ATOM 265 O ALA A 17 10.247 11.013 6.485 1.00 0.00 O ATOM 266 CB ALA A 17 9.856 9.453 3.883 1.00 0.00 C ATOM 0 H ALA A 17 10.806 11.943 3.925 1.00 0.00 H new ATOM 0 HA ALA A 17 8.125 10.695 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.372 8.584 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.786 9.389 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.905 9.475 4.178 1.00 0.00 H new ATOM 272 N ASP A 18 8.030 10.636 6.486 1.00 0.00 N ATOM 273 CA ASP A 18 7.900 10.724 7.930 1.00 0.00 C ATOM 274 C ASP A 18 7.094 9.552 8.458 1.00 0.00 C ATOM 275 O ASP A 18 6.402 8.871 7.704 1.00 0.00 O ATOM 276 CB ASP A 18 7.208 12.028 8.337 1.00 0.00 C ATOM 277 CG ASP A 18 8.089 13.251 8.204 1.00 0.00 C ATOM 278 OD1 ASP A 18 8.799 13.580 9.179 1.00 0.00 O ATOM 279 OD2 ASP A 18 8.047 13.910 7.147 1.00 0.00 O ATOM 0 H ASP A 18 7.157 10.439 5.997 1.00 0.00 H new ATOM 0 HA ASP A 18 8.903 10.703 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.318 12.164 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.872 11.944 9.371 1.00 0.00 H new ATOM 284 N GLY A 19 7.178 9.324 9.755 1.00 0.00 N ATOM 285 CA GLY A 19 6.381 8.291 10.374 1.00 0.00 C ATOM 286 C GLY A 19 4.977 8.767 10.683 1.00 0.00 C ATOM 287 O GLY A 19 4.095 7.967 10.999 1.00 0.00 O ATOM 0 H GLY A 19 7.786 9.837 10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.333 7.425 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.864 7.963 11.295 1.00 0.00 H new ATOM 291 N ARG A 20 4.772 10.077 10.601 1.00 0.00 N ATOM 292 CA ARG A 20 3.463 10.665 10.857 1.00 0.00 C ATOM 293 C ARG A 20 3.041 11.599 9.726 1.00 0.00 C ATOM 294 O ARG A 20 1.953 12.165 9.756 1.00 0.00 O ATOM 295 CB ARG A 20 3.472 11.434 12.178 1.00 0.00 C ATOM 296 CG ARG A 20 3.604 10.550 13.405 1.00 0.00 C ATOM 297 CD ARG A 20 3.635 11.377 14.679 1.00 0.00 C ATOM 298 NE ARG A 20 2.485 12.273 14.781 1.00 0.00 N ATOM 299 CZ ARG A 20 2.378 13.247 15.684 1.00 0.00 C ATOM 300 NH1 ARG A 20 3.323 13.418 16.601 1.00 0.00 N ATOM 301 NH2 ARG A 20 1.324 14.049 15.671 1.00 0.00 N ATOM 0 H ARG A 20 5.497 10.752 10.359 1.00 0.00 H new ATOM 0 HA ARG A 20 2.743 9.849 10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.296 12.147 12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.551 12.012 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.769 9.850 13.443 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.515 9.956 13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.653 10.712 15.542 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.554 11.963 14.708 1.00 0.00 H new ATOM 0 HE ARG A 20 1.718 12.145 14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.136 12.802 16.617 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.236 14.165 17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.594 13.921 14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.242 14.795 16.362 1.00 0.00 H new ATOM 315 N HIS A 21 3.904 11.767 8.732 1.00 0.00 N ATOM 316 CA HIS A 21 3.627 12.676 7.622 1.00 0.00 C ATOM 317 C HIS A 21 4.133 12.073 6.318 1.00 0.00 C ATOM 318 O HIS A 21 4.910 11.121 6.334 1.00 0.00 O ATOM 319 CB HIS A 21 4.291 14.046 7.845 1.00 0.00 C ATOM 320 CG HIS A 21 3.811 14.779 9.061 1.00 0.00 C ATOM 321 ND1 HIS A 21 4.647 15.148 10.095 1.00 0.00 N ATOM 322 CD2 HIS A 21 2.576 15.221 9.403 1.00 0.00 C ATOM 323 CE1 HIS A 21 3.949 15.780 11.016 1.00 0.00 C ATOM 324 NE2 HIS A 21 2.692 15.837 10.623 1.00 0.00 N ATOM 0 H HIS A 21 4.802 11.287 8.670 1.00 0.00 H new ATOM 0 HA HIS A 21 2.548 12.820 7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.369 13.905 7.923 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.114 14.668 6.968 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.671 15.109 8.824 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.341 16.184 11.938 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.928 16.270 11.143 1.00 0.00 H new ATOM 333 N ALA A 22 3.693 12.626 5.199 1.00 0.00 N ATOM 334 CA ALA A 22 4.133 12.159 3.893 1.00 0.00 C ATOM 335 C ALA A 22 3.955 13.253 2.850 1.00 0.00 C ATOM 336 O ALA A 22 2.834 13.698 2.597 1.00 0.00 O ATOM 337 CB ALA A 22 3.365 10.908 3.486 1.00 0.00 C ATOM 0 H ALA A 22 3.030 13.401 5.169 1.00 0.00 H new ATOM 0 HA ALA A 22 5.192 11.908 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.707 10.573 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.538 10.120 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.300 11.134 3.440 1.00 0.00 H new ATOM 343 N LYS A 23 5.056 13.700 2.263 1.00 0.00 N ATOM 344 CA LYS A 23 4.994 14.703 1.210 1.00 0.00 C ATOM 345 C LYS A 23 5.010 14.042 -0.156 1.00 0.00 C ATOM 346 O LYS A 23 6.074 13.712 -0.688 1.00 0.00 O ATOM 347 CB LYS A 23 6.150 15.701 1.310 1.00 0.00 C ATOM 348 CG LYS A 23 6.078 16.613 2.521 1.00 0.00 C ATOM 349 CD LYS A 23 7.145 17.693 2.463 1.00 0.00 C ATOM 350 CE LYS A 23 7.143 18.553 3.714 1.00 0.00 C ATOM 351 NZ LYS A 23 5.816 19.176 3.961 1.00 0.00 N ATOM 0 H LYS A 23 5.998 13.386 2.496 1.00 0.00 H new ATOM 0 HA LYS A 23 4.060 15.249 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.090 15.150 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.167 16.313 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.092 17.075 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.202 16.024 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.124 17.231 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.979 18.322 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.423 17.943 4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.898 19.334 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.900 19.883 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.483 19.639 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.136 18.443 4.245 1.00 0.00 H new ATOM 365 N VAL A 24 3.827 13.835 -0.707 1.00 0.00 N ATOM 366 CA VAL A 24 3.693 13.275 -2.038 1.00 0.00 C ATOM 367 C VAL A 24 3.540 14.406 -3.043 1.00 0.00 C ATOM 368 O VAL A 24 2.486 15.044 -3.106 1.00 0.00 O ATOM 369 CB VAL A 24 2.482 12.325 -2.143 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.435 11.656 -3.510 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.521 11.284 -1.034 1.00 0.00 C ATOM 0 H VAL A 24 2.941 14.048 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 24 4.590 12.694 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 24 1.574 12.916 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.573 10.991 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.351 12.418 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.347 11.080 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.659 10.623 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.437 10.699 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.495 11.783 -0.065 1.00 0.00 H new ATOM 381 N ASN A 25 4.612 14.671 -3.789 1.00 0.00 N ATOM 382 CA ASN A 25 4.647 15.760 -4.773 1.00 0.00 C ATOM 383 C ASN A 25 4.638 17.123 -4.084 1.00 0.00 C ATOM 384 O ASN A 25 5.665 17.801 -4.002 1.00 0.00 O ATOM 385 CB ASN A 25 3.467 15.662 -5.755 1.00 0.00 C ATOM 386 CG ASN A 25 3.437 16.808 -6.753 1.00 0.00 C ATOM 387 OD1 ASN A 25 4.475 17.312 -7.176 1.00 0.00 O ATOM 388 ND2 ASN A 25 2.239 17.234 -7.126 1.00 0.00 N ATOM 0 H ASN A 25 5.481 14.140 -3.731 1.00 0.00 H new ATOM 0 HA ASN A 25 5.575 15.659 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.527 14.717 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.533 15.650 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.155 18.006 -7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.400 16.789 -6.752 1.00 0.00 H new ATOM 395 N GLU A 26 3.474 17.515 -3.595 1.00 0.00 N ATOM 396 CA GLU A 26 3.306 18.796 -2.926 1.00 0.00 C ATOM 397 C GLU A 26 2.197 18.697 -1.873 1.00 0.00 C ATOM 398 O GLU A 26 1.784 19.692 -1.277 1.00 0.00 O ATOM 399 CB GLU A 26 2.966 19.863 -3.975 1.00 0.00 C ATOM 400 CG GLU A 26 2.968 21.290 -3.455 1.00 0.00 C ATOM 401 CD GLU A 26 2.589 22.281 -4.530 1.00 0.00 C ATOM 402 OE1 GLU A 26 1.384 22.415 -4.821 1.00 0.00 O ATOM 403 OE2 GLU A 26 3.499 22.916 -5.106 1.00 0.00 O ATOM 0 H GLU A 26 2.621 16.958 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 26 4.230 19.074 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.682 19.788 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.982 19.644 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.270 21.374 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.957 21.534 -3.068 1.00 0.00 H new ATOM 410 N GLN A 27 1.742 17.475 -1.621 1.00 0.00 N ATOM 411 CA GLN A 27 0.583 17.252 -0.778 1.00 0.00 C ATOM 412 C GLN A 27 0.973 16.467 0.467 1.00 0.00 C ATOM 413 O GLN A 27 1.636 15.433 0.377 1.00 0.00 O ATOM 414 CB GLN A 27 -0.485 16.494 -1.570 1.00 0.00 C ATOM 415 CG GLN A 27 -0.866 17.182 -2.873 1.00 0.00 C ATOM 416 CD GLN A 27 -1.747 16.326 -3.759 1.00 0.00 C ATOM 417 OE1 GLN A 27 -1.671 15.099 -3.737 1.00 0.00 O ATOM 418 NE2 GLN A 27 -2.579 16.969 -4.562 1.00 0.00 N ATOM 0 H GLN A 27 2.163 16.623 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 27 0.181 18.215 -0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.121 15.490 -1.789 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.376 16.382 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.384 18.114 -2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.041 17.445 -3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.613 17.988 -4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.187 16.445 -5.192 1.00 0.00 H new ATOM 427 N ILE A 28 0.576 16.972 1.627 1.00 0.00 N ATOM 428 CA ILE A 28 0.859 16.302 2.885 1.00 0.00 C ATOM 429 C ILE A 28 -0.279 15.356 3.239 1.00 0.00 C ATOM 430 O ILE A 28 -1.307 15.769 3.781 1.00 0.00 O ATOM 431 CB ILE A 28 1.068 17.301 4.044 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.165 18.307 3.690 1.00 0.00 C ATOM 433 CG2 ILE A 28 1.424 16.555 5.326 1.00 0.00 C ATOM 434 CD1 ILE A 28 2.385 19.361 4.754 1.00 0.00 C ATOM 0 H ILE A 28 0.056 17.845 1.721 1.00 0.00 H new ATOM 0 HA ILE A 28 1.786 15.744 2.750 1.00 0.00 H new ATOM 0 HB ILE A 28 0.138 17.847 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.099 17.770 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.907 18.798 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.569 17.271 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.615 15.872 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.343 15.988 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.176 20.040 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.464 19.923 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.674 18.880 5.689 1.00 0.00 H new ATOM 446 N LEU A 29 -0.103 14.095 2.904 1.00 0.00 N ATOM 447 CA LEU A 29 -1.102 13.086 3.202 1.00 0.00 C ATOM 448 C LEU A 29 -0.749 12.388 4.506 1.00 0.00 C ATOM 449 O LEU A 29 0.058 11.463 4.530 1.00 0.00 O ATOM 450 CB LEU A 29 -1.202 12.086 2.049 1.00 0.00 C ATOM 451 CG LEU A 29 -1.541 12.703 0.689 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.521 11.648 -0.403 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.899 13.386 0.735 1.00 0.00 C ATOM 0 H LEU A 29 0.725 13.742 2.424 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.076 13.561 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.254 11.555 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.962 11.345 2.295 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.782 13.451 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.765 12.110 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.529 11.201 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.255 10.875 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.122 13.818 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.666 12.655 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.884 14.175 1.487 1.00 0.00 H new ATOM 465 N GLN A 30 -1.342 12.860 5.593 1.00 0.00 N ATOM 466 CA GLN A 30 -0.998 12.378 6.925 1.00 0.00 C ATOM 467 C GLN A 30 -2.116 11.515 7.506 1.00 0.00 C ATOM 468 O GLN A 30 -2.324 11.477 8.718 1.00 0.00 O ATOM 469 CB GLN A 30 -0.698 13.564 7.847 1.00 0.00 C ATOM 470 CG GLN A 30 -1.858 14.540 8.008 1.00 0.00 C ATOM 471 CD GLN A 30 -1.506 15.722 8.891 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.668 15.618 9.786 1.00 0.00 O ATOM 473 NE2 GLN A 30 -2.146 16.856 8.649 1.00 0.00 N ATOM 0 H GLN A 30 -2.066 13.578 5.580 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.107 11.755 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.419 13.184 8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.165 14.104 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.162 14.902 7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.713 14.015 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.834 16.903 7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.951 17.682 9.214 1.00 0.00 H new ATOM 482 N GLN A 31 -2.822 10.813 6.631 1.00 0.00 N ATOM 483 CA GLN A 31 -3.876 9.901 7.054 1.00 0.00 C ATOM 484 C GLN A 31 -3.624 8.503 6.486 1.00 0.00 C ATOM 485 O GLN A 31 -2.818 7.739 7.017 1.00 0.00 O ATOM 486 CB GLN A 31 -5.248 10.419 6.606 1.00 0.00 C ATOM 487 CG GLN A 31 -5.624 11.764 7.205 1.00 0.00 C ATOM 488 CD GLN A 31 -6.916 12.310 6.633 1.00 0.00 C ATOM 489 OE1 GLN A 31 -8.003 12.047 7.148 1.00 0.00 O ATOM 490 NE2 GLN A 31 -6.807 13.075 5.558 1.00 0.00 N ATOM 0 H GLN A 31 -2.684 10.858 5.621 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.869 9.844 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.257 10.501 5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.008 9.686 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.723 11.663 8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.820 12.477 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.888 13.269 5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.642 13.470 5.126 1.00 0.00 H new ATOM 499 N SER A 32 -4.298 8.182 5.393 1.00 0.00 N ATOM 500 CA SER A 32 -4.111 6.909 4.717 1.00 0.00 C ATOM 501 C SER A 32 -4.457 7.071 3.244 1.00 0.00 C ATOM 502 O SER A 32 -5.444 7.725 2.907 1.00 0.00 O ATOM 503 CB SER A 32 -4.987 5.825 5.353 1.00 0.00 C ATOM 504 OG SER A 32 -4.733 5.709 6.743 1.00 0.00 O ATOM 0 H SER A 32 -4.986 8.793 4.952 1.00 0.00 H new ATOM 0 HA SER A 32 -3.070 6.601 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.038 6.063 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.798 4.869 4.865 1.00 0.00 H new ATOM 0 HG SER A 32 -5.566 5.846 7.240 1.00 0.00 H new ATOM 510 N PHE A 33 -3.634 6.507 2.374 1.00 0.00 N ATOM 511 CA PHE A 33 -3.844 6.647 0.943 1.00 0.00 C ATOM 512 C PHE A 33 -3.173 5.514 0.184 1.00 0.00 C ATOM 513 O PHE A 33 -2.265 4.858 0.702 1.00 0.00 O ATOM 514 CB PHE A 33 -3.305 7.998 0.450 1.00 0.00 C ATOM 515 CG PHE A 33 -1.821 8.176 0.636 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.304 8.578 1.859 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.946 7.944 -0.413 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.057 8.746 2.029 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.416 8.110 -0.247 1.00 0.00 C ATOM 520 CZ PHE A 33 0.919 8.512 0.974 1.00 0.00 C ATOM 0 H PHE A 33 -2.819 5.951 2.632 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.917 6.604 0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.543 8.107 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.824 8.798 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.972 8.762 2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.333 7.630 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.447 9.060 2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.087 7.925 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.983 8.643 1.105 1.00 0.00 H new ATOM 530 N ILE A 34 -3.626 5.294 -1.039 1.00 0.00 N ATOM 531 CA ILE A 34 -3.047 4.281 -1.906 1.00 0.00 C ATOM 532 C ILE A 34 -2.332 4.955 -3.069 1.00 0.00 C ATOM 533 O ILE A 34 -2.968 5.584 -3.918 1.00 0.00 O ATOM 534 CB ILE A 34 -4.125 3.326 -2.464 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.018 2.802 -1.335 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.470 2.166 -3.206 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.240 2.055 -1.824 1.00 0.00 C ATOM 0 H ILE A 34 -4.401 5.809 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.344 3.696 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.749 3.881 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.431 2.142 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.339 3.641 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.241 1.501 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.875 2.553 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.825 1.614 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.824 1.714 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.849 2.717 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.928 1.195 -2.416 1.00 0.00 H new ATOM 549 N LEU A 35 -1.017 4.833 -3.101 1.00 0.00 N ATOM 550 CA LEU A 35 -0.223 5.459 -4.146 1.00 0.00 C ATOM 551 C LEU A 35 0.258 4.411 -5.141 1.00 0.00 C ATOM 552 O LEU A 35 0.972 3.476 -4.783 1.00 0.00 O ATOM 553 CB LEU A 35 0.976 6.193 -3.537 1.00 0.00 C ATOM 554 CG LEU A 35 1.904 6.883 -4.541 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.155 7.945 -5.331 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.099 7.494 -3.824 1.00 0.00 C ATOM 0 H LEU A 35 -0.475 4.306 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.848 6.182 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.605 6.942 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.562 5.479 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 35 2.266 6.132 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.836 8.421 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.333 7.481 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.759 8.696 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.749 7.981 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.751 8.229 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.654 6.710 -3.308 1.00 0.00 H new ATOM 568 N MET A 36 -0.159 4.564 -6.386 1.00 0.00 N ATOM 569 CA MET A 36 0.262 3.668 -7.449 1.00 0.00 C ATOM 570 C MET A 36 0.821 4.480 -8.609 1.00 0.00 C ATOM 571 O MET A 36 0.627 5.693 -8.662 1.00 0.00 O ATOM 572 CB MET A 36 -0.912 2.799 -7.918 1.00 0.00 C ATOM 573 CG MET A 36 -1.438 1.856 -6.849 1.00 0.00 C ATOM 574 SD MET A 36 -2.538 0.593 -7.513 1.00 0.00 S ATOM 575 CE MET A 36 -1.440 -0.220 -8.672 1.00 0.00 C ATOM 0 H MET A 36 -0.792 5.305 -6.687 1.00 0.00 H new ATOM 0 HA MET A 36 1.041 3.007 -7.069 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.723 3.447 -8.249 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.598 2.215 -8.783 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.597 1.374 -6.351 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.969 2.433 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.628 -1.294 -8.659 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.618 0.167 -9.675 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.405 -0.029 -8.388 1.00 0.00 H new ATOM 585 N PRO A 37 1.556 3.834 -9.528 1.00 0.00 N ATOM 586 CA PRO A 37 2.097 4.510 -10.709 1.00 0.00 C ATOM 587 C PRO A 37 1.017 5.238 -11.507 1.00 0.00 C ATOM 588 O PRO A 37 0.126 4.605 -12.080 1.00 0.00 O ATOM 589 CB PRO A 37 2.696 3.369 -11.535 1.00 0.00 C ATOM 590 CG PRO A 37 3.001 2.301 -10.543 1.00 0.00 C ATOM 591 CD PRO A 37 1.941 2.410 -9.483 1.00 0.00 C ATOM 0 HA PRO A 37 2.820 5.280 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.994 3.018 -12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.596 3.690 -12.060 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.986 1.317 -11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.995 2.436 -10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.093 1.758 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.323 2.128 -8.502 1.00 0.00 H new ATOM 599 N ASP A 38 1.089 6.573 -11.479 1.00 0.00 N ATOM 600 CA ASP A 38 0.222 7.455 -12.277 1.00 0.00 C ATOM 601 C ASP A 38 -1.176 7.618 -11.665 1.00 0.00 C ATOM 602 O ASP A 38 -1.933 8.505 -12.061 1.00 0.00 O ATOM 603 CB ASP A 38 0.126 6.964 -13.730 1.00 0.00 C ATOM 604 CG ASP A 38 -0.707 7.874 -14.611 1.00 0.00 C ATOM 605 OD1 ASP A 38 -0.258 9.004 -14.901 1.00 0.00 O ATOM 606 OD2 ASP A 38 -1.814 7.458 -15.023 1.00 0.00 O ATOM 0 H ASP A 38 1.756 7.079 -10.897 1.00 0.00 H new ATOM 0 HA ASP A 38 0.688 8.440 -12.271 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.130 6.884 -14.147 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.305 5.963 -13.741 1.00 0.00 H new ATOM 611 N GLU A 39 -1.518 6.796 -10.682 1.00 0.00 N ATOM 612 CA GLU A 39 -2.840 6.876 -10.075 1.00 0.00 C ATOM 613 C GLU A 39 -2.747 6.942 -8.554 1.00 0.00 C ATOM 614 O GLU A 39 -2.019 6.175 -7.926 1.00 0.00 O ATOM 615 CB GLU A 39 -3.711 5.694 -10.508 1.00 0.00 C ATOM 616 CG GLU A 39 -5.162 5.830 -10.074 1.00 0.00 C ATOM 617 CD GLU A 39 -6.083 4.855 -10.777 1.00 0.00 C ATOM 618 OE1 GLU A 39 -5.813 4.514 -11.951 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.113 4.471 -10.181 1.00 0.00 O ATOM 0 H GLU A 39 -0.909 6.076 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.309 7.796 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.670 5.599 -11.593 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.298 4.775 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.230 5.674 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.501 6.847 -10.270 1.00 0.00 H new ATOM 626 N LEU A 40 -3.493 7.867 -7.969 1.00 0.00 N ATOM 627 CA LEU A 40 -3.481 8.062 -6.528 1.00 0.00 C ATOM 628 C LEU A 40 -4.887 7.949 -5.954 1.00 0.00 C ATOM 629 O LEU A 40 -5.826 8.571 -6.455 1.00 0.00 O ATOM 630 CB LEU A 40 -2.886 9.432 -6.184 1.00 0.00 C ATOM 631 CG LEU A 40 -2.923 9.817 -4.701 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.087 8.854 -3.874 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.436 11.244 -4.509 1.00 0.00 C ATOM 0 H LEU A 40 -4.117 8.497 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.863 7.282 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.849 9.453 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.421 10.193 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.956 9.755 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.127 9.146 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.480 7.843 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.053 8.881 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.469 11.500 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.412 11.331 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.078 11.926 -5.068 1.00 0.00 H new ATOM 645 N VAL A 41 -5.027 7.138 -4.918 1.00 0.00 N ATOM 646 CA VAL A 41 -6.272 7.050 -4.176 1.00 0.00 C ATOM 647 C VAL A 41 -6.097 7.760 -2.840 1.00 0.00 C ATOM 648 O VAL A 41 -5.532 7.203 -1.898 1.00 0.00 O ATOM 649 CB VAL A 41 -6.702 5.588 -3.935 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.081 5.530 -3.294 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.680 4.798 -5.237 1.00 0.00 C ATOM 0 H VAL A 41 -4.287 6.527 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.056 7.525 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.988 5.133 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.364 4.490 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.060 6.052 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.808 6.006 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.987 3.770 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.367 5.253 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.671 4.804 -5.649 1.00 0.00 H new ATOM 661 N GLU A 42 -6.556 8.998 -2.784 1.00 0.00 N ATOM 662 CA GLU A 42 -6.344 9.851 -1.624 1.00 0.00 C ATOM 663 C GLU A 42 -7.408 9.598 -0.558 1.00 0.00 C ATOM 664 O GLU A 42 -7.135 9.668 0.641 1.00 0.00 O ATOM 665 CB GLU A 42 -6.338 11.319 -2.078 1.00 0.00 C ATOM 666 CG GLU A 42 -6.202 12.343 -0.962 1.00 0.00 C ATOM 667 CD GLU A 42 -7.527 12.977 -0.588 1.00 0.00 C ATOM 668 OE1 GLU A 42 -8.142 13.634 -1.458 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.961 12.820 0.572 1.00 0.00 O ATOM 0 H GLU A 42 -7.084 9.440 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.381 9.617 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.518 11.461 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.262 11.518 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.773 11.862 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.505 13.122 -1.272 1.00 0.00 H new ATOM 676 N HIS A 43 -8.616 9.275 -0.996 1.00 0.00 N ATOM 677 CA HIS A 43 -9.709 9.041 -0.065 1.00 0.00 C ATOM 678 C HIS A 43 -9.798 7.568 0.321 1.00 0.00 C ATOM 679 O HIS A 43 -10.578 6.808 -0.256 1.00 0.00 O ATOM 680 CB HIS A 43 -11.048 9.510 -0.645 1.00 0.00 C ATOM 681 CG HIS A 43 -11.100 10.974 -0.957 1.00 0.00 C ATOM 682 ND1 HIS A 43 -11.207 11.950 0.012 1.00 0.00 N ATOM 683 CD2 HIS A 43 -11.069 11.625 -2.142 1.00 0.00 C ATOM 684 CE1 HIS A 43 -11.238 13.136 -0.567 1.00 0.00 C ATOM 685 NE2 HIS A 43 -11.156 12.965 -1.871 1.00 0.00 N ATOM 0 H HIS A 43 -8.862 9.170 -1.980 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.498 9.625 0.831 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.254 8.948 -1.556 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.842 9.272 0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.990 11.173 -3.120 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.317 14.085 -0.058 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.157 13.711 -2.567 1.00 0.00 H new ATOM 694 N TRP A 44 -8.968 7.166 1.274 1.00 0.00 N ATOM 695 CA TRP A 44 -9.034 5.826 1.840 1.00 0.00 C ATOM 696 C TRP A 44 -8.780 5.905 3.344 1.00 0.00 C ATOM 697 O TRP A 44 -7.652 5.770 3.806 1.00 0.00 O ATOM 698 CB TRP A 44 -8.023 4.895 1.157 1.00 0.00 C ATOM 699 CG TRP A 44 -8.172 3.453 1.544 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.260 2.655 1.332 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.196 2.634 2.196 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.025 1.394 1.823 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.764 1.355 2.357 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.900 2.857 2.666 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.078 0.306 2.962 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.218 1.815 3.264 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.810 0.554 3.410 1.00 0.00 C ATOM 0 H TRP A 44 -8.236 7.754 1.673 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.026 5.409 1.668 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.133 4.985 0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.014 5.226 1.404 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.173 2.970 0.848 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.682 0.614 1.795 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.439 3.828 2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.531 -0.668 3.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.213 1.975 3.625 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.253 -0.239 3.887 1.00 0.00 H new ATOM 718 N PRO A 45 -9.838 6.172 4.121 1.00 0.00 N ATOM 719 CA PRO A 45 -9.729 6.437 5.556 1.00 0.00 C ATOM 720 C PRO A 45 -9.457 5.187 6.387 1.00 0.00 C ATOM 721 O PRO A 45 -10.221 4.217 6.350 1.00 0.00 O ATOM 722 CB PRO A 45 -11.101 7.027 5.929 1.00 0.00 C ATOM 723 CG PRO A 45 -11.826 7.226 4.637 1.00 0.00 C ATOM 724 CD PRO A 45 -11.228 6.254 3.666 1.00 0.00 C ATOM 0 HA PRO A 45 -8.887 7.097 5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.651 6.353 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.988 7.970 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.894 7.047 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.713 8.250 4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.726 5.285 3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.299 6.610 2.638 1.00 0.00 H new ATOM 732 N VAL A 46 -8.353 5.219 7.120 1.00 0.00 N ATOM 733 CA VAL A 46 -8.041 4.199 8.114 1.00 0.00 C ATOM 734 C VAL A 46 -7.558 4.880 9.394 1.00 0.00 C ATOM 735 O VAL A 46 -6.435 5.371 9.453 1.00 0.00 O ATOM 736 CB VAL A 46 -6.957 3.206 7.624 1.00 0.00 C ATOM 737 CG1 VAL A 46 -6.660 2.157 8.688 1.00 0.00 C ATOM 738 CG2 VAL A 46 -7.380 2.535 6.326 1.00 0.00 C ATOM 0 H VAL A 46 -7.648 5.952 7.043 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.951 3.627 8.296 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.046 3.775 7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.896 1.472 8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.302 2.648 9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.569 1.600 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.602 1.843 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.309 1.988 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.533 3.293 5.558 1.00 0.00 H new ATOM 748 N PRO A 47 -8.416 4.946 10.426 1.00 0.00 N ATOM 749 CA PRO A 47 -8.089 5.630 11.682 1.00 0.00 C ATOM 750 C PRO A 47 -6.906 4.990 12.407 1.00 0.00 C ATOM 751 O PRO A 47 -5.826 5.575 12.499 1.00 0.00 O ATOM 752 CB PRO A 47 -9.367 5.492 12.521 1.00 0.00 C ATOM 753 CG PRO A 47 -10.442 5.142 11.549 1.00 0.00 C ATOM 754 CD PRO A 47 -9.769 4.371 10.448 1.00 0.00 C ATOM 0 HA PRO A 47 -7.791 6.664 11.507 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.257 4.718 13.281 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.597 6.421 13.043 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.219 4.544 12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.923 6.039 11.160 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.750 3.301 10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.279 4.501 9.493 1.00 0.00 H new ATOM 762 N SER A 48 -7.120 3.791 12.929 1.00 0.00 N ATOM 763 CA SER A 48 -6.079 3.040 13.618 1.00 0.00 C ATOM 764 C SER A 48 -6.434 1.561 13.594 1.00 0.00 C ATOM 765 O SER A 48 -6.874 1.003 14.600 1.00 0.00 O ATOM 766 CB SER A 48 -5.920 3.527 15.064 1.00 0.00 C ATOM 767 OG SER A 48 -5.679 4.927 15.110 1.00 0.00 O ATOM 0 H SER A 48 -8.019 3.311 12.887 1.00 0.00 H new ATOM 0 HA SER A 48 -5.129 3.197 13.107 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.820 3.291 15.631 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.095 2.997 15.541 1.00 0.00 H new ATOM 0 HG SER A 48 -5.421 5.244 14.219 1.00 0.00 H new ATOM 773 N LEU A 49 -6.273 0.948 12.420 1.00 0.00 N ATOM 774 CA LEU A 49 -6.723 -0.422 12.186 1.00 0.00 C ATOM 775 C LEU A 49 -8.207 -0.548 12.547 1.00 0.00 C ATOM 776 O LEU A 49 -8.954 0.429 12.448 1.00 0.00 O ATOM 777 CB LEU A 49 -5.873 -1.415 12.988 1.00 0.00 C ATOM 778 CG LEU A 49 -4.364 -1.347 12.721 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.634 -2.427 13.500 1.00 0.00 C ATOM 780 CD2 LEU A 49 -4.067 -1.477 11.233 1.00 0.00 C ATOM 0 H LEU A 49 -5.830 1.385 11.611 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.601 -0.661 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.046 -1.242 14.050 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.219 -2.425 12.769 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.007 -0.373 13.057 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.565 -2.362 13.297 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.810 -2.288 14.567 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.002 -3.407 13.196 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.990 -1.426 11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.444 -2.433 10.869 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.554 -0.666 10.692 1.00 0.00 H new ATOM 792 N GLY A 50 -8.641 -1.743 12.931 1.00 0.00 N ATOM 793 CA GLY A 50 -10.021 -1.932 13.354 1.00 0.00 C ATOM 794 C GLY A 50 -10.969 -2.046 12.181 1.00 0.00 C ATOM 795 O GLY A 50 -11.588 -3.088 11.969 1.00 0.00 O ATOM 0 H GLY A 50 -8.065 -2.584 12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.092 -2.832 13.965 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.324 -1.095 13.983 1.00 0.00 H new ATOM 799 N GLN A 51 -11.067 -0.975 11.404 1.00 0.00 N ATOM 800 CA GLN A 51 -11.907 -0.963 10.214 1.00 0.00 C ATOM 801 C GLN A 51 -11.178 -1.611 9.045 1.00 0.00 C ATOM 802 O GLN A 51 -11.661 -1.607 7.913 1.00 0.00 O ATOM 803 CB GLN A 51 -12.308 0.467 9.847 1.00 0.00 C ATOM 804 CG GLN A 51 -13.157 1.160 10.902 1.00 0.00 C ATOM 805 CD GLN A 51 -13.590 2.549 10.473 1.00 0.00 C ATOM 806 OE1 GLN A 51 -12.891 3.225 9.719 1.00 0.00 O ATOM 807 NE2 GLN A 51 -14.747 2.982 10.946 1.00 0.00 N ATOM 0 H GLN A 51 -10.573 -0.100 11.578 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.810 -1.533 10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.406 1.055 9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.858 0.449 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.040 0.555 11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.592 1.229 11.832 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.297 2.390 11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.089 3.907 10.688 1.00 0.00 H new ATOM 816 N LEU A 52 -10.005 -2.164 9.326 1.00 0.00 N ATOM 817 CA LEU A 52 -9.232 -2.858 8.313 1.00 0.00 C ATOM 818 C LEU A 52 -9.818 -4.244 8.083 1.00 0.00 C ATOM 819 O LEU A 52 -9.452 -5.212 8.751 1.00 0.00 O ATOM 820 CB LEU A 52 -7.759 -2.959 8.720 1.00 0.00 C ATOM 821 CG LEU A 52 -6.842 -3.604 7.677 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.853 -2.799 6.385 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.427 -3.727 8.217 1.00 0.00 C ATOM 0 H LEU A 52 -9.571 -2.144 10.249 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.282 -2.289 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.388 -1.957 8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.692 -3.532 9.645 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.216 -4.605 7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.196 -3.272 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.868 -2.761 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.504 -1.786 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.789 -4.187 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.043 -2.736 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.433 -4.346 9.114 1.00 0.00 H new ATOM 835 N GLN A 53 -10.755 -4.313 7.155 1.00 0.00 N ATOM 836 CA GLN A 53 -11.457 -5.547 6.845 1.00 0.00 C ATOM 837 C GLN A 53 -11.471 -5.752 5.332 1.00 0.00 C ATOM 838 O GLN A 53 -11.236 -4.800 4.587 1.00 0.00 O ATOM 839 CB GLN A 53 -12.886 -5.484 7.398 1.00 0.00 C ATOM 840 CG GLN A 53 -12.940 -5.279 8.906 1.00 0.00 C ATOM 841 CD GLN A 53 -14.351 -5.127 9.441 1.00 0.00 C ATOM 842 OE1 GLN A 53 -15.239 -4.562 8.639 1.00 0.00 O flip ATOM 843 NE2 GLN A 53 -14.637 -5.502 10.577 1.00 0.00 N flip ATOM 0 H GLN A 53 -11.052 -3.515 6.594 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.946 -6.390 7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.422 -4.671 6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.407 -6.407 7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.462 -6.126 9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.363 -4.392 9.166 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.925 -5.934 11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.586 -5.381 10.930 1.00 0.00 H new ATOM 852 N PRO A 54 -11.727 -6.987 4.856 1.00 0.00 N ATOM 853 CA PRO A 54 -11.767 -7.297 3.418 1.00 0.00 C ATOM 854 C PRO A 54 -12.646 -6.332 2.621 1.00 0.00 C ATOM 855 O PRO A 54 -12.283 -5.922 1.520 1.00 0.00 O ATOM 856 CB PRO A 54 -12.353 -8.708 3.378 1.00 0.00 C ATOM 857 CG PRO A 54 -11.955 -9.310 4.677 1.00 0.00 C ATOM 858 CD PRO A 54 -11.978 -8.188 5.679 1.00 0.00 C ATOM 0 HA PRO A 54 -10.781 -7.211 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.437 -8.685 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.958 -9.279 2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.643 -10.105 4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.962 -9.755 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.937 -8.129 6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.213 -8.317 6.444 1.00 0.00 H new ATOM 866 N ALA A 55 -13.786 -5.958 3.191 1.00 0.00 N ATOM 867 CA ALA A 55 -14.711 -5.043 2.526 1.00 0.00 C ATOM 868 C ALA A 55 -14.143 -3.625 2.450 1.00 0.00 C ATOM 869 O ALA A 55 -14.546 -2.827 1.601 1.00 0.00 O ATOM 870 CB ALA A 55 -16.053 -5.038 3.241 1.00 0.00 C ATOM 0 H ALA A 55 -14.093 -6.273 4.111 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.853 -5.398 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.732 -4.352 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.476 -6.043 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.914 -4.716 4.273 1.00 0.00 H new ATOM 876 N HIS A 56 -13.196 -3.321 3.329 1.00 0.00 N ATOM 877 CA HIS A 56 -12.579 -1.998 3.361 1.00 0.00 C ATOM 878 C HIS A 56 -11.309 -1.996 2.514 1.00 0.00 C ATOM 879 O HIS A 56 -10.854 -0.949 2.048 1.00 0.00 O ATOM 880 CB HIS A 56 -12.254 -1.602 4.804 1.00 0.00 C ATOM 881 CG HIS A 56 -11.996 -0.137 4.993 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.001 0.772 5.237 1.00 0.00 N ATOM 883 CD2 HIS A 56 -10.843 0.577 4.989 1.00 0.00 C ATOM 884 CE1 HIS A 56 -12.483 1.977 5.372 1.00 0.00 C ATOM 885 NE2 HIS A 56 -11.175 1.888 5.228 1.00 0.00 N ATOM 0 H HIS A 56 -12.838 -3.971 4.029 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.279 -1.271 2.949 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -13.082 -1.900 5.447 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.378 -2.160 5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.849 0.187 4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -13.036 2.884 5.567 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.518 2.666 5.285 1.00 0.00 H new ATOM 894 N MET A 57 -10.744 -3.182 2.328 1.00 0.00 N ATOM 895 CA MET A 57 -9.563 -3.363 1.490 1.00 0.00 C ATOM 896 C MET A 57 -10.006 -3.659 0.060 1.00 0.00 C ATOM 897 O MET A 57 -9.189 -3.828 -0.847 1.00 0.00 O ATOM 898 CB MET A 57 -8.715 -4.518 2.035 1.00 0.00 C ATOM 899 CG MET A 57 -7.305 -4.583 1.467 1.00 0.00 C ATOM 900 SD MET A 57 -6.288 -3.183 1.974 1.00 0.00 S ATOM 901 CE MET A 57 -4.698 -3.661 1.299 1.00 0.00 C ATOM 0 H MET A 57 -11.089 -4.043 2.752 1.00 0.00 H new ATOM 0 HA MET A 57 -8.960 -2.455 1.498 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.653 -4.427 3.119 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.223 -5.458 1.822 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.829 -5.509 1.790 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.357 -4.614 0.379 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.005 -2.823 1.372 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.304 -4.508 1.861 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.817 -3.944 0.253 1.00 0.00 H new ATOM 911 N ASP A 58 -11.324 -3.703 -0.115 1.00 0.00 N ATOM 912 CA ASP A 58 -11.955 -4.020 -1.395 1.00 0.00 C ATOM 913 C ASP A 58 -11.435 -3.130 -2.515 1.00 0.00 C ATOM 914 O ASP A 58 -11.232 -3.593 -3.633 1.00 0.00 O ATOM 915 CB ASP A 58 -13.474 -3.863 -1.270 1.00 0.00 C ATOM 916 CG ASP A 58 -14.209 -4.164 -2.560 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.405 -3.237 -3.370 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.617 -5.327 -2.755 1.00 0.00 O ATOM 0 H ASP A 58 -11.991 -3.518 0.634 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.706 -5.051 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.839 -4.528 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.704 -2.845 -0.957 1.00 0.00 H new ATOM 923 N ALA A 59 -11.212 -1.856 -2.205 1.00 0.00 N ATOM 924 CA ALA A 59 -10.710 -0.902 -3.188 1.00 0.00 C ATOM 925 C ALA A 59 -9.400 -1.387 -3.802 1.00 0.00 C ATOM 926 O ALA A 59 -9.227 -1.364 -5.020 1.00 0.00 O ATOM 927 CB ALA A 59 -10.522 0.465 -2.548 1.00 0.00 C ATOM 0 H ALA A 59 -11.372 -1.460 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.447 -0.818 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.147 1.167 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.477 0.821 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.807 0.388 -1.729 1.00 0.00 H new ATOM 933 N VAL A 60 -8.496 -1.859 -2.952 1.00 0.00 N ATOM 934 CA VAL A 60 -7.200 -2.343 -3.406 1.00 0.00 C ATOM 935 C VAL A 60 -7.368 -3.614 -4.230 1.00 0.00 C ATOM 936 O VAL A 60 -6.736 -3.780 -5.273 1.00 0.00 O ATOM 937 CB VAL A 60 -6.257 -2.630 -2.221 1.00 0.00 C ATOM 938 CG1 VAL A 60 -4.859 -2.970 -2.713 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.218 -1.447 -1.267 1.00 0.00 C ATOM 0 H VAL A 60 -8.638 -1.917 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.757 -1.560 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.645 -3.493 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.211 -3.169 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.902 -3.854 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.460 -2.131 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.547 -1.670 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.860 -0.564 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.220 -1.257 -0.882 1.00 0.00 H new ATOM 949 N LEU A 61 -8.239 -4.499 -3.759 1.00 0.00 N ATOM 950 CA LEU A 61 -8.521 -5.747 -4.460 1.00 0.00 C ATOM 951 C LEU A 61 -9.135 -5.460 -5.827 1.00 0.00 C ATOM 952 O LEU A 61 -8.819 -6.121 -6.813 1.00 0.00 O ATOM 953 CB LEU A 61 -9.470 -6.619 -3.634 1.00 0.00 C ATOM 954 CG LEU A 61 -8.962 -7.005 -2.242 1.00 0.00 C ATOM 955 CD1 LEU A 61 -10.028 -7.785 -1.489 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.680 -7.817 -2.347 1.00 0.00 C ATOM 0 H LEU A 61 -8.763 -4.375 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.583 -6.283 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.417 -6.091 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.677 -7.532 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.744 -6.092 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.653 -8.053 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.922 -7.171 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.274 -8.692 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.334 -8.082 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.871 -8.726 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.915 -7.226 -2.851 1.00 0.00 H new ATOM 968 N ALA A 62 -10.002 -4.455 -5.871 1.00 0.00 N ATOM 969 CA ALA A 62 -10.668 -4.060 -7.103 1.00 0.00 C ATOM 970 C ALA A 62 -9.689 -3.433 -8.089 1.00 0.00 C ATOM 971 O ALA A 62 -9.928 -3.431 -9.296 1.00 0.00 O ATOM 972 CB ALA A 62 -11.803 -3.095 -6.797 1.00 0.00 C ATOM 0 H ALA A 62 -10.261 -3.895 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.078 -4.957 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.295 -2.806 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.525 -3.579 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.404 -2.208 -6.306 1.00 0.00 H new ATOM 978 N LEU A 63 -8.590 -2.894 -7.576 1.00 0.00 N ATOM 979 CA LEU A 63 -7.550 -2.321 -8.426 1.00 0.00 C ATOM 980 C LEU A 63 -6.698 -3.417 -9.060 1.00 0.00 C ATOM 981 O LEU A 63 -6.113 -3.215 -10.126 1.00 0.00 O ATOM 982 CB LEU A 63 -6.657 -1.371 -7.621 1.00 0.00 C ATOM 983 CG LEU A 63 -7.353 -0.122 -7.079 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.383 0.718 -6.263 1.00 0.00 C ATOM 985 CD2 LEU A 63 -7.940 0.696 -8.218 1.00 0.00 C ATOM 0 H LEU A 63 -8.394 -2.841 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.042 -1.758 -9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.231 -1.922 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.825 -1.058 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.167 -0.437 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.896 1.603 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.009 0.130 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.548 1.024 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.432 1.581 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.143 1.001 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.667 0.093 -8.762 1.00 0.00 H new ATOM 997 N ASN A 64 -6.645 -4.570 -8.394 1.00 0.00 N ATOM 998 CA ASN A 64 -5.834 -5.713 -8.835 1.00 0.00 C ATOM 999 C ASN A 64 -4.387 -5.312 -9.113 1.00 0.00 C ATOM 1000 O ASN A 64 -3.965 -5.232 -10.271 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.433 -6.393 -10.073 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.706 -7.155 -9.769 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.666 -8.318 -9.364 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.847 -6.524 -9.992 1.00 0.00 N ATOM 0 H ASN A 64 -7.162 -4.742 -7.532 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.840 -6.427 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.640 -5.638 -10.832 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.698 -7.078 -10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.734 -7.001 -9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.840 -5.561 -10.327 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.613 -5.021 -8.056 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.194 -4.711 -8.189 1.00 0.00 C ATOM 1013 C PRO A 65 -1.342 -5.972 -8.293 1.00 0.00 C ATOM 1014 O PRO A 65 -1.812 -7.074 -8.010 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.886 -3.957 -6.900 1.00 0.00 C ATOM 1016 CG PRO A 65 -2.828 -4.529 -5.893 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.060 -4.960 -6.651 1.00 0.00 C ATOM 0 HA PRO A 65 -1.973 -4.144 -9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.849 -4.098 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.040 -2.885 -7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.375 -5.375 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.080 -3.789 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.423 -5.928 -6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.876 -4.249 -6.523 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.091 -5.807 -8.695 1.00 0.00 N ATOM 1026 CA ALA A 66 0.817 -6.936 -8.818 1.00 0.00 C ATOM 1027 C ALA A 66 1.521 -7.196 -7.492 1.00 0.00 C ATOM 1028 O ALA A 66 1.937 -8.319 -7.201 1.00 0.00 O ATOM 1029 CB ALA A 66 1.828 -6.686 -9.926 1.00 0.00 C ATOM 0 H ALA A 66 0.317 -4.905 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 66 0.239 -7.822 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.500 -7.540 -10.005 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.304 -6.548 -10.872 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.405 -5.790 -9.697 1.00 0.00 H new ATOM 1035 N VAL A 67 1.660 -6.142 -6.699 1.00 0.00 N ATOM 1036 CA VAL A 67 2.238 -6.249 -5.367 1.00 0.00 C ATOM 1037 C VAL A 67 1.764 -5.085 -4.499 1.00 0.00 C ATOM 1038 O VAL A 67 1.606 -3.966 -4.990 1.00 0.00 O ATOM 1039 CB VAL A 67 3.787 -6.287 -5.424 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.344 -5.047 -6.110 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.386 -6.449 -4.033 1.00 0.00 C ATOM 0 H VAL A 67 1.378 -5.197 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 67 1.901 -7.186 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 67 4.072 -7.156 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.432 -5.103 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.960 -4.991 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.039 -4.158 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.473 -6.472 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.082 -5.611 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.032 -7.380 -3.591 1.00 0.00 H new ATOM 1051 N ILE A 68 1.496 -5.353 -3.231 1.00 0.00 N ATOM 1052 CA ILE A 68 1.049 -4.318 -2.311 1.00 0.00 C ATOM 1053 C ILE A 68 2.119 -4.035 -1.261 1.00 0.00 C ATOM 1054 O ILE A 68 2.688 -4.957 -0.674 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.261 -4.719 -1.594 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.322 -5.139 -2.612 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.775 -3.565 -0.740 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.581 -5.696 -1.981 1.00 0.00 C ATOM 0 H ILE A 68 1.580 -6.280 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 68 0.865 -3.422 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.051 -5.567 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.584 -4.278 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.897 -5.889 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.698 -3.864 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.027 -3.305 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.969 -2.701 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.288 -5.973 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.332 -6.577 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.030 -4.940 -1.337 1.00 0.00 H new ATOM 1070 N LEU A 69 2.394 -2.760 -1.039 1.00 0.00 N ATOM 1071 CA LEU A 69 3.310 -2.346 0.011 1.00 0.00 C ATOM 1072 C LEU A 69 2.536 -1.640 1.109 1.00 0.00 C ATOM 1073 O LEU A 69 1.872 -0.634 0.861 1.00 0.00 O ATOM 1074 CB LEU A 69 4.396 -1.416 -0.537 1.00 0.00 C ATOM 1075 CG LEU A 69 5.368 -2.045 -1.537 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.387 -1.015 -1.998 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.069 -3.245 -0.919 1.00 0.00 C ATOM 0 H LEU A 69 1.993 -1.990 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 69 3.796 -3.235 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.912 -0.565 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.971 -1.025 0.303 1.00 0.00 H new ATOM 0 HG LEU A 69 4.801 -2.388 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.073 -1.475 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.872 -0.183 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.948 -0.648 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.756 -3.679 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.626 -2.927 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.328 -3.990 -0.630 1.00 0.00 H new ATOM 1089 N LEU A 70 2.610 -2.174 2.313 1.00 0.00 N ATOM 1090 CA LEU A 70 1.912 -1.597 3.445 1.00 0.00 C ATOM 1091 C LEU A 70 2.909 -0.851 4.322 1.00 0.00 C ATOM 1092 O LEU A 70 3.822 -1.457 4.878 1.00 0.00 O ATOM 1093 CB LEU A 70 1.211 -2.701 4.249 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.145 -2.326 4.865 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.017 -1.137 5.803 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -1.161 -2.035 3.772 1.00 0.00 C ATOM 0 H LEU A 70 3.150 -3.011 2.533 1.00 0.00 H new ATOM 0 HA LEU A 70 1.155 -0.898 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.066 -3.562 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.877 -3.018 5.051 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.493 -3.176 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.994 -0.897 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.673 -1.383 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.362 -0.277 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.117 -1.771 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.808 -1.206 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.287 -2.920 3.148 1.00 0.00 H new ATOM 1108 N GLY A 71 2.749 0.459 4.417 1.00 0.00 N ATOM 1109 CA GLY A 71 3.644 1.258 5.230 1.00 0.00 C ATOM 1110 C GLY A 71 2.916 1.941 6.366 1.00 0.00 C ATOM 1111 O GLY A 71 2.232 2.944 6.155 1.00 0.00 O ATOM 0 H GLY A 71 2.014 0.986 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.432 0.623 5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.128 2.009 4.606 1.00 0.00 H new ATOM 1115 N THR A 72 3.048 1.403 7.569 1.00 0.00 N ATOM 1116 CA THR A 72 2.359 1.954 8.725 1.00 0.00 C ATOM 1117 C THR A 72 3.207 3.019 9.428 1.00 0.00 C ATOM 1118 O THR A 72 3.643 2.837 10.565 1.00 0.00 O ATOM 1119 CB THR A 72 1.962 0.846 9.721 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.100 0.031 10.032 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.856 -0.026 9.149 1.00 0.00 C ATOM 0 H THR A 72 3.625 0.586 7.770 1.00 0.00 H new ATOM 0 HA THR A 72 1.449 2.430 8.359 1.00 0.00 H new ATOM 0 HB THR A 72 1.597 1.324 10.630 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.490 0.324 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.593 -0.800 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.020 0.588 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.201 -0.492 8.226 1.00 0.00 H new ATOM 1129 N GLY A 73 3.423 4.130 8.729 1.00 0.00 N ATOM 1130 CA GLY A 73 4.202 5.241 9.254 1.00 0.00 C ATOM 1131 C GLY A 73 5.504 4.828 9.920 1.00 0.00 C ATOM 1132 O GLY A 73 6.421 4.327 9.266 1.00 0.00 O ATOM 0 H GLY A 73 3.063 4.283 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.426 5.930 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.595 5.787 9.976 1.00 0.00 H new ATOM 1136 N GLU A 74 5.576 5.059 11.223 1.00 0.00 N ATOM 1137 CA GLU A 74 6.759 4.741 12.014 1.00 0.00 C ATOM 1138 C GLU A 74 6.495 3.513 12.884 1.00 0.00 C ATOM 1139 O GLU A 74 7.419 2.883 13.398 1.00 0.00 O ATOM 1140 CB GLU A 74 7.110 5.938 12.909 1.00 0.00 C ATOM 1141 CG GLU A 74 8.410 5.787 13.681 1.00 0.00 C ATOM 1142 CD GLU A 74 8.492 6.720 14.872 1.00 0.00 C ATOM 1143 OE1 GLU A 74 8.502 7.952 14.675 1.00 0.00 O ATOM 1144 OE2 GLU A 74 8.522 6.225 16.019 1.00 0.00 O ATOM 0 H GLU A 74 4.816 5.472 11.763 1.00 0.00 H new ATOM 0 HA GLU A 74 7.591 4.527 11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.172 6.833 12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.297 6.096 13.618 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.507 4.757 14.024 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.249 5.981 13.013 1.00 0.00 H new ATOM 1151 N ARG A 75 5.225 3.167 13.011 1.00 0.00 N ATOM 1152 CA ARG A 75 4.785 2.174 13.975 1.00 0.00 C ATOM 1153 C ARG A 75 4.396 0.885 13.261 1.00 0.00 C ATOM 1154 O ARG A 75 3.387 0.840 12.563 1.00 0.00 O ATOM 1155 CB ARG A 75 3.596 2.743 14.750 1.00 0.00 C ATOM 1156 CG ARG A 75 3.379 2.139 16.126 1.00 0.00 C ATOM 1157 CD ARG A 75 2.368 2.963 16.909 1.00 0.00 C ATOM 1158 NE ARG A 75 2.347 2.639 18.337 1.00 0.00 N ATOM 1159 CZ ARG A 75 3.024 3.324 19.262 1.00 0.00 C ATOM 1160 NH1 ARG A 75 3.876 4.273 18.902 1.00 0.00 N ATOM 1161 NH2 ARG A 75 2.865 3.049 20.550 1.00 0.00 N ATOM 0 H ARG A 75 4.472 3.566 12.450 1.00 0.00 H new ATOM 0 HA ARG A 75 5.594 1.941 14.668 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.734 3.819 14.860 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.692 2.596 14.159 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.025 1.113 16.029 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.324 2.100 16.667 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.597 4.021 16.786 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.374 2.801 16.491 1.00 0.00 H new ATOM 0 HE ARG A 75 1.784 1.845 18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.017 4.483 17.914 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.390 4.793 19.613 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.223 2.311 20.838 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.385 3.576 21.252 1.00 0.00 H new ATOM 1175 N GLN A 76 5.203 -0.150 13.432 1.00 0.00 N ATOM 1176 CA GLN A 76 4.989 -1.413 12.736 1.00 0.00 C ATOM 1177 C GLN A 76 3.689 -2.076 13.187 1.00 0.00 C ATOM 1178 O GLN A 76 3.580 -2.556 14.317 1.00 0.00 O ATOM 1179 CB GLN A 76 6.171 -2.356 12.977 1.00 0.00 C ATOM 1180 CG GLN A 76 6.051 -3.689 12.256 1.00 0.00 C ATOM 1181 CD GLN A 76 7.211 -4.614 12.559 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.225 -4.614 11.857 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.074 -5.410 13.610 1.00 0.00 N ATOM 0 H GLN A 76 6.015 -0.142 14.049 1.00 0.00 H new ATOM 0 HA GLN A 76 4.911 -1.202 11.669 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.089 -1.862 12.657 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.264 -2.540 14.047 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.118 -4.173 12.545 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.000 -3.515 11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.219 -5.379 14.165 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.824 -6.053 13.864 1.00 0.00 H new ATOM 1192 N GLN A 77 2.699 -2.085 12.305 1.00 0.00 N ATOM 1193 CA GLN A 77 1.425 -2.725 12.589 1.00 0.00 C ATOM 1194 C GLN A 77 1.203 -3.883 11.625 1.00 0.00 C ATOM 1195 O GLN A 77 1.759 -3.898 10.527 1.00 0.00 O ATOM 1196 CB GLN A 77 0.277 -1.716 12.477 1.00 0.00 C ATOM 1197 CG GLN A 77 0.441 -0.501 13.378 1.00 0.00 C ATOM 1198 CD GLN A 77 -0.715 0.472 13.269 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.708 1.382 12.438 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -1.713 0.304 14.122 1.00 0.00 N ATOM 0 H GLN A 77 2.756 -1.653 11.383 1.00 0.00 H new ATOM 0 HA GLN A 77 1.446 -3.108 13.609 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.198 -1.382 11.442 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.660 -2.216 12.723 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.535 -0.832 14.412 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.368 0.013 13.122 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.684 -0.461 14.796 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.511 0.939 14.105 1.00 0.00 H new ATOM 1209 N PHE A 78 0.402 -4.852 12.036 1.00 0.00 N ATOM 1210 CA PHE A 78 0.142 -6.024 11.214 1.00 0.00 C ATOM 1211 C PHE A 78 -1.295 -6.018 10.715 1.00 0.00 C ATOM 1212 O PHE A 78 -2.214 -5.665 11.457 1.00 0.00 O ATOM 1213 CB PHE A 78 0.419 -7.307 12.005 1.00 0.00 C ATOM 1214 CG PHE A 78 1.844 -7.438 12.465 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.816 -7.942 11.616 1.00 0.00 C ATOM 1216 CD2 PHE A 78 2.211 -7.056 13.746 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.126 -8.064 12.036 1.00 0.00 C ATOM 1218 CE2 PHE A 78 3.520 -7.175 14.170 1.00 0.00 C ATOM 1219 CZ PHE A 78 4.478 -7.679 13.315 1.00 0.00 C ATOM 0 H PHE A 78 -0.080 -4.851 12.935 1.00 0.00 H new ATOM 0 HA PHE A 78 0.811 -5.992 10.354 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.238 -7.336 12.874 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.166 -8.167 11.385 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.546 -8.243 10.614 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.465 -6.661 14.420 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.874 -8.460 11.365 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.793 -6.874 15.170 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.502 -7.772 13.645 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.504 -6.390 9.442 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.837 -6.471 8.847 1.00 0.00 C ATOM 1231 C PRO A 79 -3.663 -7.599 9.457 1.00 0.00 C ATOM 1232 O PRO A 79 -3.117 -8.612 9.898 1.00 0.00 O ATOM 1233 CB PRO A 79 -2.570 -6.751 7.359 1.00 0.00 C ATOM 1234 CG PRO A 79 -1.114 -6.489 7.156 1.00 0.00 C ATOM 1235 CD PRO A 79 -0.458 -6.761 8.478 1.00 0.00 C ATOM 0 HA PRO A 79 -3.410 -5.559 9.016 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.823 -7.780 7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.177 -6.106 6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.706 -7.134 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.943 -5.460 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.168 -7.807 8.578 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.445 -6.166 8.612 1.00 0.00 H new ATOM 1243 N SER A 80 -4.976 -7.413 9.484 1.00 0.00 N ATOM 1244 CA SER A 80 -5.877 -8.409 10.040 1.00 0.00 C ATOM 1245 C SER A 80 -5.805 -9.706 9.239 1.00 0.00 C ATOM 1246 O SER A 80 -5.761 -9.685 8.006 1.00 0.00 O ATOM 1247 CB SER A 80 -7.315 -7.873 10.054 1.00 0.00 C ATOM 1248 OG SER A 80 -8.218 -8.833 10.581 1.00 0.00 O ATOM 0 H SER A 80 -5.440 -6.578 9.126 1.00 0.00 H new ATOM 0 HA SER A 80 -5.569 -8.619 11.064 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.360 -6.962 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.616 -7.605 9.041 1.00 0.00 H new ATOM 0 HG SER A 80 -9.126 -8.464 10.579 1.00 0.00 H new ATOM 1254 N THR A 81 -5.795 -10.830 9.950 1.00 0.00 N ATOM 1255 CA THR A 81 -5.734 -12.145 9.323 1.00 0.00 C ATOM 1256 C THR A 81 -6.948 -12.374 8.422 1.00 0.00 C ATOM 1257 O THR A 81 -6.882 -13.124 7.446 1.00 0.00 O ATOM 1258 CB THR A 81 -5.649 -13.266 10.389 1.00 0.00 C ATOM 1259 OG1 THR A 81 -5.602 -14.555 9.765 1.00 0.00 O ATOM 1260 CG2 THR A 81 -6.832 -13.204 11.344 1.00 0.00 C ATOM 0 H THR A 81 -5.829 -10.855 10.969 1.00 0.00 H new ATOM 0 HA THR A 81 -4.832 -12.178 8.712 1.00 0.00 H new ATOM 0 HB THR A 81 -4.732 -13.111 10.958 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.547 -15.250 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.747 -14.002 12.081 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.839 -12.240 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.759 -13.326 10.783 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.044 -11.693 8.734 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.276 -11.841 7.974 1.00 0.00 C ATOM 1270 C ASP A 82 -9.110 -11.226 6.586 1.00 0.00 C ATOM 1271 O ASP A 82 -9.689 -11.696 5.609 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.435 -11.177 8.719 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.789 -11.626 8.211 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -12.226 -12.738 8.587 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.425 -10.874 7.450 1.00 0.00 O ATOM 0 H ASP A 82 -8.103 -11.033 9.509 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.499 -12.902 7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.356 -11.405 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.354 -10.095 8.618 1.00 0.00 H new ATOM 1280 N VAL A 83 -8.281 -10.191 6.509 1.00 0.00 N ATOM 1281 CA VAL A 83 -8.006 -9.518 5.246 1.00 0.00 C ATOM 1282 C VAL A 83 -7.001 -10.324 4.429 1.00 0.00 C ATOM 1283 O VAL A 83 -7.052 -10.346 3.196 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.446 -8.096 5.476 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -7.311 -7.345 4.159 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.322 -7.325 6.449 1.00 0.00 C ATOM 0 H VAL A 83 -7.786 -9.799 7.310 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.948 -9.439 4.703 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.452 -8.190 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.915 -6.347 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.632 -7.886 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.289 -7.263 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.910 -6.327 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.331 -7.245 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.354 -7.850 7.404 1.00 0.00 H new ATOM 1296 N LEU A 84 -6.100 -11.002 5.131 1.00 0.00 N ATOM 1297 CA LEU A 84 -5.052 -11.793 4.494 1.00 0.00 C ATOM 1298 C LEU A 84 -5.650 -12.881 3.611 1.00 0.00 C ATOM 1299 O LEU A 84 -5.117 -13.186 2.544 1.00 0.00 O ATOM 1300 CB LEU A 84 -4.140 -12.423 5.551 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.407 -11.430 6.456 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.556 -12.171 7.476 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.546 -10.486 5.629 1.00 0.00 C ATOM 0 H LEU A 84 -6.074 -11.020 6.151 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.462 -11.125 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.739 -13.086 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.400 -13.044 5.046 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.150 -10.837 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.041 -11.451 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.195 -12.806 8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.822 -12.788 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.033 -9.788 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.810 -11.062 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.178 -9.931 4.935 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.765 -13.450 4.054 1.00 0.00 N ATOM 1316 CA ALA A 85 -7.451 -14.486 3.293 1.00 0.00 C ATOM 1317 C ALA A 85 -7.868 -13.967 1.919 1.00 0.00 C ATOM 1318 O ALA A 85 -7.686 -14.644 0.906 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.666 -14.986 4.059 1.00 0.00 C ATOM 0 H ALA A 85 -7.214 -13.210 4.938 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.760 -15.316 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.169 -15.760 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.348 -15.399 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.353 -14.158 4.232 1.00 0.00 H new ATOM 1325 N ALA A 86 -8.397 -12.750 1.893 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.856 -12.135 0.654 1.00 0.00 C ATOM 1327 C ALA A 86 -7.694 -11.899 -0.305 1.00 0.00 C ATOM 1328 O ALA A 86 -7.788 -12.203 -1.496 1.00 0.00 O ATOM 1329 CB ALA A 86 -9.578 -10.830 0.950 1.00 0.00 C ATOM 0 H ALA A 86 -8.519 -12.167 2.721 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.554 -12.820 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.916 -10.381 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.438 -11.027 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.898 -10.145 1.457 1.00 0.00 H new ATOM 1335 N CYS A 87 -6.593 -11.373 0.219 1.00 0.00 N ATOM 1336 CA CYS A 87 -5.418 -11.094 -0.600 1.00 0.00 C ATOM 1337 C CYS A 87 -4.807 -12.399 -1.109 1.00 0.00 C ATOM 1338 O CYS A 87 -4.326 -12.476 -2.243 1.00 0.00 O ATOM 1339 CB CYS A 87 -4.386 -10.301 0.207 1.00 0.00 C ATOM 1340 SG CYS A 87 -3.054 -9.585 -0.787 1.00 0.00 S ATOM 0 H CYS A 87 -6.489 -11.131 1.204 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.723 -10.495 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.897 -9.499 0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.949 -10.957 0.960 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.259 -10.530 -1.193 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.854 -13.429 -0.269 1.00 0.00 N ATOM 1347 CA LEU A 88 -4.333 -14.743 -0.622 1.00 0.00 C ATOM 1348 C LEU A 88 -5.124 -15.326 -1.789 1.00 0.00 C ATOM 1349 O LEU A 88 -4.544 -15.860 -2.736 1.00 0.00 O ATOM 1350 CB LEU A 88 -4.389 -15.677 0.601 1.00 0.00 C ATOM 1351 CG LEU A 88 -3.661 -17.024 0.465 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -3.307 -17.567 1.841 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -4.516 -18.040 -0.285 1.00 0.00 C ATOM 0 H LEU A 88 -5.252 -13.376 0.669 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.293 -14.644 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.969 -15.146 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.436 -15.876 0.832 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.748 -16.857 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.792 -18.521 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.657 -16.859 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.219 -17.710 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.974 -18.983 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.448 -18.202 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.738 -17.663 -1.283 1.00 0.00 H new ATOM 1365 N THR A 89 -6.446 -15.198 -1.729 1.00 0.00 N ATOM 1366 CA THR A 89 -7.316 -15.730 -2.773 1.00 0.00 C ATOM 1367 C THR A 89 -7.200 -14.935 -4.074 1.00 0.00 C ATOM 1368 O THR A 89 -7.758 -15.321 -5.099 1.00 0.00 O ATOM 1369 CB THR A 89 -8.789 -15.767 -2.312 1.00 0.00 C ATOM 1370 OG1 THR A 89 -9.187 -14.490 -1.788 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.995 -16.842 -1.254 1.00 0.00 C ATOM 0 H THR A 89 -6.939 -14.730 -0.968 1.00 0.00 H new ATOM 0 HA THR A 89 -6.982 -16.749 -2.966 1.00 0.00 H new ATOM 0 HB THR A 89 -9.406 -16.002 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.460 -13.845 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.040 -16.851 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.731 -17.815 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.362 -16.631 -0.392 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.474 -13.825 -4.034 1.00 0.00 N ATOM 1380 CA ARG A 90 -6.236 -13.033 -5.234 1.00 0.00 C ATOM 1381 C ARG A 90 -4.822 -13.263 -5.755 1.00 0.00 C ATOM 1382 O ARG A 90 -4.501 -12.903 -6.887 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.463 -11.544 -4.960 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.904 -11.195 -4.615 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.873 -11.664 -5.691 1.00 0.00 C ATOM 1386 NE ARG A 90 -8.562 -11.099 -7.003 1.00 0.00 N ATOM 1387 CZ ARG A 90 -9.201 -11.424 -8.127 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -10.194 -12.306 -8.107 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -8.852 -10.856 -9.271 1.00 0.00 N ATOM 0 H ARG A 90 -6.042 -13.454 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.946 -13.354 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.817 -11.233 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.161 -10.973 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.170 -11.652 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.996 -10.116 -4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.847 -12.752 -5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.888 -11.385 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.809 -10.413 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.473 -12.740 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.678 -12.549 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.096 -10.172 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.339 -11.103 -10.132 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.985 -13.871 -4.921 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.619 -14.162 -5.312 1.00 0.00 C ATOM 1405 C GLY A 91 -1.756 -12.917 -5.376 1.00 0.00 C ATOM 1406 O GLY A 91 -0.824 -12.840 -6.177 1.00 0.00 O ATOM 0 H GLY A 91 -4.231 -14.169 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.184 -14.866 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.620 -14.650 -6.286 1.00 0.00 H new ATOM 1410 N ILE A 92 -2.061 -11.945 -4.529 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.323 -10.692 -4.519 1.00 0.00 C ATOM 1412 C ILE A 92 -0.353 -10.654 -3.341 1.00 0.00 C ATOM 1413 O ILE A 92 -0.706 -11.040 -2.225 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.276 -9.478 -4.441 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.355 -9.575 -5.527 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.493 -8.179 -4.591 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.403 -8.488 -5.441 1.00 0.00 C ATOM 0 H ILE A 92 -2.813 -12.000 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.763 -10.633 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.762 -9.482 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.878 -9.531 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.845 -10.546 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.178 -7.333 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.756 -8.104 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.984 -8.170 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.132 -8.621 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.908 -8.545 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.926 -7.513 -5.544 1.00 0.00 H new ATOM 1429 N GLY A 93 0.872 -10.206 -3.602 1.00 0.00 N ATOM 1430 CA GLY A 93 1.868 -10.101 -2.552 1.00 0.00 C ATOM 1431 C GLY A 93 1.626 -8.900 -1.662 1.00 0.00 C ATOM 1432 O GLY A 93 1.111 -7.878 -2.119 1.00 0.00 O ATOM 0 H GLY A 93 1.192 -9.913 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.856 -11.008 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.860 -10.028 -2.998 1.00 0.00 H new ATOM 1436 N LEU A 94 2.017 -9.014 -0.403 1.00 0.00 N ATOM 1437 CA LEU A 94 1.775 -7.967 0.579 1.00 0.00 C ATOM 1438 C LEU A 94 2.971 -7.826 1.514 1.00 0.00 C ATOM 1439 O LEU A 94 3.194 -8.665 2.388 1.00 0.00 O ATOM 1440 CB LEU A 94 0.508 -8.278 1.384 1.00 0.00 C ATOM 1441 CG LEU A 94 0.180 -7.289 2.506 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.056 -5.896 1.946 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.036 -7.761 3.287 1.00 0.00 C ATOM 0 H LEU A 94 2.508 -9.828 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 94 1.634 -7.024 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.338 -8.315 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.610 -9.273 1.818 1.00 0.00 H new ATOM 0 HG LEU A 94 1.033 -7.243 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.287 -5.210 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.841 -5.555 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.891 -5.922 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.257 -7.048 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.892 -7.835 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.831 -8.739 3.723 1.00 0.00 H new ATOM 1455 N GLU A 95 3.746 -6.772 1.313 1.00 0.00 N ATOM 1456 CA GLU A 95 4.913 -6.510 2.141 1.00 0.00 C ATOM 1457 C GLU A 95 4.602 -5.425 3.165 1.00 0.00 C ATOM 1458 O GLU A 95 4.212 -4.315 2.805 1.00 0.00 O ATOM 1459 CB GLU A 95 6.100 -6.087 1.275 1.00 0.00 C ATOM 1460 CG GLU A 95 6.568 -7.164 0.307 1.00 0.00 C ATOM 1461 CD GLU A 95 7.077 -8.403 1.015 1.00 0.00 C ATOM 1462 OE1 GLU A 95 8.219 -8.377 1.519 1.00 0.00 O ATOM 1463 OE2 GLU A 95 6.344 -9.411 1.065 1.00 0.00 O ATOM 0 H GLU A 95 3.587 -6.081 0.580 1.00 0.00 H new ATOM 0 HA GLU A 95 5.174 -7.428 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.826 -5.197 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.930 -5.809 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.744 -7.439 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.359 -6.760 -0.325 1.00 0.00 H new ATOM 1470 N ALA A 96 4.765 -5.752 4.439 1.00 0.00 N ATOM 1471 CA ALA A 96 4.484 -4.811 5.513 1.00 0.00 C ATOM 1472 C ALA A 96 5.771 -4.209 6.062 1.00 0.00 C ATOM 1473 O ALA A 96 6.627 -4.922 6.587 1.00 0.00 O ATOM 1474 CB ALA A 96 3.698 -5.493 6.622 1.00 0.00 C ATOM 0 H ALA A 96 5.092 -6.665 4.755 1.00 0.00 H new ATOM 0 HA ALA A 96 3.880 -4.000 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.495 -4.776 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.756 -5.868 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.279 -6.324 7.021 1.00 0.00 H new ATOM 1480 N MET A 97 5.901 -2.896 5.932 1.00 0.00 N ATOM 1481 CA MET A 97 7.082 -2.178 6.398 1.00 0.00 C ATOM 1482 C MET A 97 6.691 -0.794 6.902 1.00 0.00 C ATOM 1483 O MET A 97 5.509 -0.495 7.078 1.00 0.00 O ATOM 1484 CB MET A 97 8.118 -2.039 5.273 1.00 0.00 C ATOM 1485 CG MET A 97 8.783 -3.348 4.869 1.00 0.00 C ATOM 1486 SD MET A 97 9.976 -3.139 3.531 1.00 0.00 S ATOM 1487 CE MET A 97 8.912 -2.510 2.233 1.00 0.00 C ATOM 0 H MET A 97 5.194 -2.299 5.502 1.00 0.00 H new ATOM 0 HA MET A 97 7.525 -2.750 7.213 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.632 -1.607 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.889 -1.336 5.589 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.286 -3.778 5.735 1.00 0.00 H new ATOM 0 HG3 MET A 97 8.017 -4.060 4.560 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.206 -2.946 1.278 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.877 -2.776 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.004 -1.425 2.181 1.00 0.00 H new ATOM 1497 N THR A 98 7.684 0.043 7.141 1.00 0.00 N ATOM 1498 CA THR A 98 7.446 1.417 7.544 1.00 0.00 C ATOM 1499 C THR A 98 7.327 2.322 6.320 1.00 0.00 C ATOM 1500 O THR A 98 7.585 1.890 5.193 1.00 0.00 O ATOM 1501 CB THR A 98 8.579 1.921 8.455 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.849 1.572 7.885 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.453 1.329 9.852 1.00 0.00 C ATOM 0 H THR A 98 8.670 -0.207 7.062 1.00 0.00 H new ATOM 0 HA THR A 98 6.509 1.447 8.099 1.00 0.00 H new ATOM 0 HB THR A 98 8.505 3.005 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.569 1.896 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.264 1.699 10.479 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.497 1.621 10.286 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.507 0.242 9.793 1.00 0.00 H new ATOM 1511 N ASN A 99 6.942 3.575 6.546 1.00 0.00 N ATOM 1512 CA ASN A 99 6.777 4.546 5.466 1.00 0.00 C ATOM 1513 C ASN A 99 8.075 4.718 4.682 1.00 0.00 C ATOM 1514 O ASN A 99 8.091 4.598 3.456 1.00 0.00 O ATOM 1515 CB ASN A 99 6.324 5.898 6.033 1.00 0.00 C ATOM 1516 CG ASN A 99 6.163 6.970 4.967 1.00 0.00 C ATOM 1517 OD1 ASN A 99 7.105 7.689 4.643 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.963 7.088 4.422 1.00 0.00 N ATOM 0 H ASN A 99 6.737 3.945 7.474 1.00 0.00 H new ATOM 0 HA ASN A 99 6.013 4.169 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.375 5.767 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.050 6.236 6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.795 7.795 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.206 6.472 4.718 1.00 0.00 H new ATOM 1525 N ALA A 100 9.164 4.964 5.401 1.00 0.00 N ATOM 1526 CA ALA A 100 10.462 5.192 4.777 1.00 0.00 C ATOM 1527 C ALA A 100 10.945 3.961 4.012 1.00 0.00 C ATOM 1528 O ALA A 100 11.567 4.081 2.955 1.00 0.00 O ATOM 1529 CB ALA A 100 11.486 5.593 5.827 1.00 0.00 C ATOM 0 H ALA A 100 9.174 5.011 6.420 1.00 0.00 H new ATOM 0 HA ALA A 100 10.346 6.004 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.451 5.760 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.162 6.509 6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.580 4.797 6.566 1.00 0.00 H new ATOM 1535 N ALA A 101 10.649 2.784 4.543 1.00 0.00 N ATOM 1536 CA ALA A 101 11.085 1.539 3.924 1.00 0.00 C ATOM 1537 C ALA A 101 10.282 1.239 2.664 1.00 0.00 C ATOM 1538 O ALA A 101 10.844 0.867 1.633 1.00 0.00 O ATOM 1539 CB ALA A 101 10.974 0.389 4.912 1.00 0.00 C ATOM 0 H ALA A 101 10.109 2.664 5.400 1.00 0.00 H new ATOM 0 HA ALA A 101 12.130 1.654 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.303 -0.534 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.602 0.593 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.937 0.282 5.231 1.00 0.00 H new ATOM 1545 N ALA A 102 8.969 1.415 2.746 1.00 0.00 N ATOM 1546 CA ALA A 102 8.087 1.128 1.623 1.00 0.00 C ATOM 1547 C ALA A 102 8.300 2.123 0.486 1.00 0.00 C ATOM 1548 O ALA A 102 8.161 1.774 -0.687 1.00 0.00 O ATOM 1549 CB ALA A 102 6.637 1.135 2.077 1.00 0.00 C ATOM 0 H ALA A 102 8.491 1.756 3.580 1.00 0.00 H new ATOM 0 HA ALA A 102 8.330 0.135 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.989 0.919 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.493 0.376 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.388 2.115 2.484 1.00 0.00 H new ATOM 1555 N ALA A 103 8.644 3.357 0.839 1.00 0.00 N ATOM 1556 CA ALA A 103 8.922 4.390 -0.152 1.00 0.00 C ATOM 1557 C ALA A 103 10.118 4.000 -1.015 1.00 0.00 C ATOM 1558 O ALA A 103 10.139 4.253 -2.220 1.00 0.00 O ATOM 1559 CB ALA A 103 9.171 5.727 0.528 1.00 0.00 C ATOM 0 H ALA A 103 8.737 3.667 1.806 1.00 0.00 H new ATOM 0 HA ALA A 103 8.050 4.488 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.377 6.486 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.289 6.014 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.026 5.641 1.198 1.00 0.00 H new ATOM 1565 N ARG A 104 11.105 3.373 -0.384 1.00 0.00 N ATOM 1566 CA ARG A 104 12.290 2.896 -1.087 1.00 0.00 C ATOM 1567 C ARG A 104 11.913 1.820 -2.100 1.00 0.00 C ATOM 1568 O ARG A 104 12.352 1.849 -3.253 1.00 0.00 O ATOM 1569 CB ARG A 104 13.303 2.333 -0.089 1.00 0.00 C ATOM 1570 CG ARG A 104 14.580 1.823 -0.733 1.00 0.00 C ATOM 1571 CD ARG A 104 15.414 1.023 0.253 1.00 0.00 C ATOM 1572 NE ARG A 104 15.788 1.807 1.429 1.00 0.00 N ATOM 1573 CZ ARG A 104 15.522 1.445 2.684 1.00 0.00 C ATOM 1574 NH1 ARG A 104 14.817 0.346 2.934 1.00 0.00 N ATOM 1575 NH2 ARG A 104 15.946 2.198 3.689 1.00 0.00 N ATOM 0 H ARG A 104 11.107 3.183 0.618 1.00 0.00 H new ATOM 0 HA ARG A 104 12.738 3.737 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.556 3.109 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.837 1.519 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.333 1.200 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.163 2.665 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 104 14.854 0.143 0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 104 16.316 0.665 -0.244 1.00 0.00 H new ATOM 0 HE ARG A 104 16.283 2.686 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.475 -0.227 2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.618 0.076 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 104 16.473 3.050 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.745 1.925 4.651 1.00 0.00 H new ATOM 1589 N THR A 105 11.090 0.881 -1.664 1.00 0.00 N ATOM 1590 CA THR A 105 10.678 -0.230 -2.502 1.00 0.00 C ATOM 1591 C THR A 105 9.846 0.261 -3.686 1.00 0.00 C ATOM 1592 O THR A 105 9.975 -0.248 -4.799 1.00 0.00 O ATOM 1593 CB THR A 105 9.864 -1.244 -1.686 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.453 -1.395 -0.388 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.818 -2.595 -2.384 1.00 0.00 C ATOM 0 H THR A 105 10.691 0.868 -0.725 1.00 0.00 H new ATOM 0 HA THR A 105 11.577 -0.715 -2.882 1.00 0.00 H new ATOM 0 HB THR A 105 8.844 -0.871 -1.591 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.861 -2.283 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.235 -3.295 -1.785 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.354 -2.483 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.832 -2.977 -2.504 1.00 0.00 H new ATOM 1603 N TYR A 106 9.003 1.263 -3.437 1.00 0.00 N ATOM 1604 CA TYR A 106 8.171 1.849 -4.484 1.00 0.00 C ATOM 1605 C TYR A 106 9.034 2.367 -5.630 1.00 0.00 C ATOM 1606 O TYR A 106 8.728 2.139 -6.800 1.00 0.00 O ATOM 1607 CB TYR A 106 7.315 2.987 -3.909 1.00 0.00 C ATOM 1608 CG TYR A 106 6.404 3.650 -4.924 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.164 3.107 -5.235 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.784 4.824 -5.565 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.331 3.712 -6.160 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.958 5.433 -6.490 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.731 4.876 -6.782 1.00 0.00 C ATOM 1614 OH TYR A 106 3.907 5.479 -7.703 1.00 0.00 O ATOM 0 H TYR A 106 8.879 1.686 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 106 7.511 1.073 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.708 2.594 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.974 3.742 -3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.845 2.198 -4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.742 5.268 -5.336 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.372 3.274 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.272 6.342 -6.982 1.00 0.00 H new ATOM 0 HH TYR A 106 4.338 6.290 -8.046 1.00 0.00 H new ATOM 1624 N ASN A 107 10.123 3.046 -5.281 1.00 0.00 N ATOM 1625 CA ASN A 107 11.043 3.600 -6.271 1.00 0.00 C ATOM 1626 C ASN A 107 11.584 2.492 -7.173 1.00 0.00 C ATOM 1627 O ASN A 107 11.662 2.650 -8.393 1.00 0.00 O ATOM 1628 CB ASN A 107 12.199 4.317 -5.558 1.00 0.00 C ATOM 1629 CG ASN A 107 13.019 5.240 -6.456 1.00 0.00 C ATOM 1630 OD1 ASN A 107 13.129 4.926 -7.739 1.00 0.00 O flip ATOM 1631 ND2 ASN A 107 13.561 6.241 -5.987 1.00 0.00 N flip ATOM 0 H ASN A 107 10.391 3.227 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 107 10.506 4.318 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.794 4.901 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.862 3.569 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 107 13.460 6.459 -4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.111 6.853 -6.590 1.00 0.00 H new ATOM 1638 N VAL A 108 11.944 1.370 -6.567 1.00 0.00 N ATOM 1639 CA VAL A 108 12.509 0.249 -7.306 1.00 0.00 C ATOM 1640 C VAL A 108 11.461 -0.394 -8.215 1.00 0.00 C ATOM 1641 O VAL A 108 11.693 -0.586 -9.410 1.00 0.00 O ATOM 1642 CB VAL A 108 13.081 -0.822 -6.352 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.735 -1.951 -7.137 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.071 -0.200 -5.376 1.00 0.00 C ATOM 0 H VAL A 108 11.855 1.211 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 108 13.319 0.646 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 108 12.255 -1.242 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.131 -2.694 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.995 -2.419 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.548 -1.550 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.462 -0.972 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.893 0.253 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.567 0.565 -4.785 1.00 0.00 H new ATOM 1654 N LEU A 109 10.300 -0.700 -7.646 1.00 0.00 N ATOM 1655 CA LEU A 109 9.241 -1.390 -8.377 1.00 0.00 C ATOM 1656 C LEU A 109 8.698 -0.534 -9.520 1.00 0.00 C ATOM 1657 O LEU A 109 8.296 -1.057 -10.562 1.00 0.00 O ATOM 1658 CB LEU A 109 8.114 -1.780 -7.419 1.00 0.00 C ATOM 1659 CG LEU A 109 8.537 -2.704 -6.274 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.359 -3.001 -5.362 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.124 -3.996 -6.819 1.00 0.00 C ATOM 0 H LEU A 109 10.067 -0.481 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 109 9.667 -2.292 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.686 -0.872 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.324 -2.269 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 109 9.304 -2.195 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.681 -3.659 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.980 -2.069 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.569 -3.488 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.419 -4.640 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.378 -4.507 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.997 -3.769 -7.431 1.00 0.00 H new ATOM 1673 N ALA A 110 8.702 0.780 -9.329 1.00 0.00 N ATOM 1674 CA ALA A 110 8.243 1.702 -10.361 1.00 0.00 C ATOM 1675 C ALA A 110 9.155 1.649 -11.583 1.00 0.00 C ATOM 1676 O ALA A 110 8.694 1.738 -12.721 1.00 0.00 O ATOM 1677 CB ALA A 110 8.166 3.119 -9.813 1.00 0.00 C ATOM 0 H ALA A 110 9.018 1.231 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 110 7.244 1.396 -10.671 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.822 3.794 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.468 3.148 -8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.153 3.432 -9.473 1.00 0.00 H new ATOM 1683 N SER A 111 10.452 1.486 -11.344 1.00 0.00 N ATOM 1684 CA SER A 111 11.419 1.415 -12.431 1.00 0.00 C ATOM 1685 C SER A 111 11.500 -0.001 -13.002 1.00 0.00 C ATOM 1686 O SER A 111 12.113 -0.227 -14.047 1.00 0.00 O ATOM 1687 CB SER A 111 12.795 1.879 -11.946 1.00 0.00 C ATOM 1688 OG SER A 111 13.190 1.191 -10.767 1.00 0.00 O ATOM 0 H SER A 111 10.856 1.401 -10.411 1.00 0.00 H new ATOM 0 HA SER A 111 11.086 2.079 -13.229 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.534 1.713 -12.730 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.771 2.951 -11.752 1.00 0.00 H new ATOM 0 HG SER A 111 12.562 0.461 -10.588 1.00 0.00 H new ATOM 1694 N GLU A 112 10.881 -0.950 -12.312 1.00 0.00 N ATOM 1695 CA GLU A 112 10.847 -2.329 -12.774 1.00 0.00 C ATOM 1696 C GLU A 112 9.717 -2.490 -13.784 1.00 0.00 C ATOM 1697 O GLU A 112 9.865 -3.162 -14.806 1.00 0.00 O ATOM 1698 CB GLU A 112 10.650 -3.270 -11.574 1.00 0.00 C ATOM 1699 CG GLU A 112 10.979 -4.739 -11.835 1.00 0.00 C ATOM 1700 CD GLU A 112 9.970 -5.445 -12.722 1.00 0.00 C ATOM 1701 OE1 GLU A 112 8.758 -5.325 -12.465 1.00 0.00 O ATOM 1702 OE2 GLU A 112 10.388 -6.145 -13.669 1.00 0.00 O ATOM 0 H GLU A 112 10.396 -0.789 -11.430 1.00 0.00 H new ATOM 0 HA GLU A 112 11.789 -2.585 -13.259 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.271 -2.917 -10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.613 -3.200 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.964 -4.804 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.040 -5.263 -10.881 1.00 0.00 H new ATOM 1709 N GLY A 113 8.608 -1.820 -13.515 1.00 0.00 N ATOM 1710 CA GLY A 113 7.447 -1.929 -14.373 1.00 0.00 C ATOM 1711 C GLY A 113 6.410 -2.862 -13.787 1.00 0.00 C ATOM 1712 O GLY A 113 5.827 -3.683 -14.495 1.00 0.00 O ATOM 0 H GLY A 113 8.491 -1.200 -12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.008 -0.942 -14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.751 -2.292 -15.355 1.00 0.00 H new ATOM 1716 N ARG A 114 6.193 -2.740 -12.489 1.00 0.00 N ATOM 1717 CA ARG A 114 5.247 -3.585 -11.783 1.00 0.00 C ATOM 1718 C ARG A 114 4.290 -2.721 -10.971 1.00 0.00 C ATOM 1719 O ARG A 114 4.723 -1.848 -10.221 1.00 0.00 O ATOM 1720 CB ARG A 114 6.012 -4.562 -10.882 1.00 0.00 C ATOM 1721 CG ARG A 114 5.131 -5.496 -10.069 1.00 0.00 C ATOM 1722 CD ARG A 114 5.929 -6.680 -9.539 1.00 0.00 C ATOM 1723 NE ARG A 114 6.320 -7.593 -10.616 1.00 0.00 N ATOM 1724 CZ ARG A 114 7.575 -7.964 -10.871 1.00 0.00 C ATOM 1725 NH1 ARG A 114 8.568 -7.575 -10.080 1.00 0.00 N ATOM 1726 NH2 ARG A 114 7.836 -8.754 -11.907 1.00 0.00 N ATOM 0 H ARG A 114 6.665 -2.056 -11.898 1.00 0.00 H new ATOM 0 HA ARG A 114 4.659 -4.161 -12.497 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.679 -5.161 -11.502 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.640 -3.990 -10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.688 -4.950 -9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.309 -5.855 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.820 -6.318 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.334 -7.220 -8.802 1.00 0.00 H new ATOM 0 HE ARG A 114 5.582 -7.970 -11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.374 -6.987 -9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.525 -7.864 -10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.076 -9.076 -12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.796 -9.038 -12.103 1.00 0.00 H new ATOM 1740 N ARG A 115 2.989 -2.946 -11.142 1.00 0.00 N ATOM 1741 CA ARG A 115 1.986 -2.159 -10.433 1.00 0.00 C ATOM 1742 C ARG A 115 2.006 -2.464 -8.946 1.00 0.00 C ATOM 1743 O ARG A 115 1.469 -3.480 -8.486 1.00 0.00 O ATOM 1744 CB ARG A 115 0.579 -2.390 -10.989 1.00 0.00 C ATOM 1745 CG ARG A 115 0.405 -1.943 -12.429 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.060 -1.725 -12.773 1.00 0.00 C ATOM 1747 NE ARG A 115 -1.897 -2.869 -12.412 1.00 0.00 N ATOM 1748 CZ ARG A 115 -2.426 -3.714 -13.295 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -2.192 -3.551 -14.592 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -3.194 -4.714 -12.879 1.00 0.00 N ATOM 0 H ARG A 115 2.608 -3.662 -11.761 1.00 0.00 H new ATOM 0 HA ARG A 115 2.243 -1.111 -10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.340 -3.451 -10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.139 -1.859 -10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.960 -1.019 -12.594 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.829 -2.693 -13.097 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.423 -0.836 -12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.154 -1.533 -13.842 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.087 -3.029 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.607 -2.779 -14.912 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.597 -4.198 -15.269 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.379 -4.835 -11.883 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.599 -5.361 -13.555 1.00 0.00 H new ATOM 1764 N VAL A 116 2.655 -1.589 -8.205 1.00 0.00 N ATOM 1765 CA VAL A 116 2.714 -1.700 -6.767 1.00 0.00 C ATOM 1766 C VAL A 116 1.704 -0.760 -6.117 1.00 0.00 C ATOM 1767 O VAL A 116 1.630 0.424 -6.453 1.00 0.00 O ATOM 1768 CB VAL A 116 4.137 -1.406 -6.235 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.670 -0.092 -6.787 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.151 -1.395 -4.714 1.00 0.00 C ATOM 0 H VAL A 116 3.154 -0.784 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 116 2.462 -2.727 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 116 4.794 -2.205 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.671 0.088 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.710 -0.144 -7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.011 0.723 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.161 -1.186 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.473 -0.624 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.829 -2.367 -4.340 1.00 0.00 H new ATOM 1780 N ALA A 117 0.902 -1.305 -5.221 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.043 -0.510 -4.462 1.00 0.00 C ATOM 1782 C ALA A 117 0.596 -0.074 -3.156 1.00 0.00 C ATOM 1783 O ALA A 117 0.714 -0.864 -2.220 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.319 -1.295 -4.202 1.00 0.00 C ATOM 0 H ALA A 117 0.887 -2.301 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.309 0.375 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.015 -0.680 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.776 -1.572 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.083 -2.196 -3.636 1.00 0.00 H new ATOM 1790 N LEU A 118 1.037 1.171 -3.108 1.00 0.00 N ATOM 1791 CA LEU A 118 1.689 1.695 -1.924 1.00 0.00 C ATOM 1792 C LEU A 118 0.650 2.260 -0.966 1.00 0.00 C ATOM 1793 O LEU A 118 0.214 3.402 -1.104 1.00 0.00 O ATOM 1794 CB LEU A 118 2.702 2.778 -2.311 1.00 0.00 C ATOM 1795 CG LEU A 118 3.591 3.278 -1.175 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.483 2.157 -0.667 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.426 4.462 -1.637 1.00 0.00 C ATOM 0 H LEU A 118 0.955 1.837 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 118 2.222 0.885 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.340 2.388 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.160 3.627 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 118 2.954 3.607 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.110 2.530 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.865 1.338 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.115 1.798 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.054 4.807 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.056 4.159 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.767 5.270 -1.954 1.00 0.00 H new ATOM 1809 N ALA A 119 0.231 1.439 -0.018 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.767 1.840 0.952 1.00 0.00 C ATOM 1811 C ALA A 119 -0.091 2.391 2.196 1.00 0.00 C ATOM 1812 O ALA A 119 0.439 1.637 3.018 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.672 0.671 1.300 1.00 0.00 C ATOM 0 H ALA A 119 0.571 0.484 0.099 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.385 2.626 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.415 0.991 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.176 0.320 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.075 -0.138 1.721 1.00 0.00 H new ATOM 1819 N MET A 120 -0.091 3.705 2.317 1.00 0.00 N ATOM 1820 CA MET A 120 0.562 4.362 3.433 1.00 0.00 C ATOM 1821 C MET A 120 -0.442 4.731 4.509 1.00 0.00 C ATOM 1822 O MET A 120 -1.403 5.459 4.256 1.00 0.00 O ATOM 1823 CB MET A 120 1.301 5.618 2.970 1.00 0.00 C ATOM 1824 CG MET A 120 2.556 5.341 2.162 1.00 0.00 C ATOM 1825 SD MET A 120 3.804 4.446 3.104 1.00 0.00 S ATOM 1826 CE MET A 120 5.201 4.560 1.992 1.00 0.00 C ATOM 0 H MET A 120 -0.537 4.340 1.655 1.00 0.00 H new ATOM 0 HA MET A 120 1.284 3.660 3.850 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.623 6.224 2.370 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.569 6.211 3.844 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.293 4.764 1.275 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.976 6.285 1.815 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.388 3.585 1.542 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.984 5.286 1.208 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.083 4.879 2.547 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.213 4.216 5.700 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.001 4.578 6.862 1.00 0.00 C ATOM 1838 C ILE A 121 -0.112 5.342 7.830 1.00 0.00 C ATOM 1839 O ILE A 121 0.826 4.779 8.391 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.586 3.338 7.579 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.409 2.488 6.602 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.442 3.766 8.766 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.940 1.206 7.210 1.00 0.00 C ATOM 0 H ILE A 121 0.523 3.536 5.890 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.839 5.191 6.528 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.759 2.731 7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.247 3.081 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.791 2.242 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.847 2.883 9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.830 4.328 9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.262 4.393 8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.511 0.658 6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.106 0.592 7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.585 1.444 8.056 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.375 6.627 7.988 1.00 0.00 N ATOM 1856 CA VAL A 122 0.429 7.463 8.864 1.00 0.00 C ATOM 1857 C VAL A 122 -0.460 8.232 9.831 1.00 0.00 C ATOM 1858 O VAL A 122 -1.532 8.706 9.465 1.00 0.00 O ATOM 1859 CB VAL A 122 1.320 8.449 8.073 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.454 7.715 7.374 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.502 9.231 7.060 1.00 0.00 C ATOM 0 H VAL A 122 -1.139 7.115 7.521 1.00 0.00 H new ATOM 0 HA VAL A 122 1.086 6.798 9.425 1.00 0.00 H new ATOM 0 HB VAL A 122 1.749 9.152 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.066 8.430 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.069 7.205 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.041 6.983 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.153 9.917 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.037 8.540 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.272 9.798 7.577 1.00 0.00 H new ATOM 1871 N GLY A 123 -0.015 8.342 11.071 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.806 9.012 12.076 1.00 0.00 C ATOM 1873 C GLY A 123 -0.410 10.461 12.249 1.00 0.00 C ATOM 1874 O GLY A 123 0.402 10.788 13.118 1.00 0.00 O ATOM 0 H GLY A 123 0.880 7.979 11.399 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -1.860 8.956 11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -0.696 8.492 13.028 1.00 0.00 H new