USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 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 62 THR OG1 : rot 170:sc= 0.0837 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.903 K(o=0.99,f=0.38) USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 35 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Set 3.1: A 24 GLN : amide:sc= -0.244 K(o=-1.4,f=-5.5!) USER MOD Set 3.2: A 53 ASN : amide:sc= -1.16 K(o=-1.4,f=-2.6) USER MOD Set 4.1: A 19 HIS :FLIP no HE2:sc= -8.47! C(o=-12!,f=-11!) USER MOD Set 4.2: A 21 MET CE :methyl -129:sc= -2.32 (180deg=-1.61) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.5) USER MOD Single : A 32 GLN : amide:sc= -0.111 K(o=-0.11,f=-1) USER MOD Single : A 44 SER OG : rot -150:sc= -0.12 USER MOD Single : A 45 ASN : amide:sc= -2.45! C(o=-2.5!,f=-2.8!) USER MOD Single : A 46 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-3.4!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -178:sc= -3.02 (180deg=-3.13) USER MOD Single : A 61 THR OG1 : rot -38:sc= 0.444 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -80:sc= 0.85 USER MOD Single : A 75 THR OG1 : rot 152:sc= 0.207 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= -0.382 (180deg=-0.382) USER MOD Single : A 87 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0.01) USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -4.793 9.723 -3.235 1.00 0.00 N ATOM 206 CA ARG A 16 -4.416 8.322 -3.392 1.00 0.00 C ATOM 207 C ARG A 16 -3.299 7.948 -2.422 1.00 0.00 C ATOM 208 O ARG A 16 -2.143 8.326 -2.614 1.00 0.00 O ATOM 209 CB ARG A 16 -3.972 8.050 -4.829 1.00 0.00 C ATOM 210 CG ARG A 16 -4.530 9.041 -5.839 1.00 0.00 C ATOM 211 CD ARG A 16 -3.748 10.344 -5.831 1.00 0.00 C ATOM 212 NE ARG A 16 -4.604 11.495 -5.557 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.160 12.746 -5.508 1.00 0.00 C ATOM 214 NH1 ARG A 16 -2.877 13.007 -5.713 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.002 13.741 -5.253 1.00 0.00 N ATOM 0 HA ARG A 16 -5.289 7.709 -3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.883 8.073 -4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.282 7.044 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.498 8.602 -6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.577 9.242 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.961 10.290 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.258 10.478 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.597 11.329 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.227 12.246 -5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.540 13.969 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.990 13.545 -5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.660 14.701 -5.216 1.00 0.00 H new ATOM 229 N VAL A 17 -3.652 7.202 -1.380 1.00 0.00 N ATOM 230 CA VAL A 17 -2.680 6.776 -0.381 1.00 0.00 C ATOM 231 C VAL A 17 -2.951 5.347 0.076 1.00 0.00 C ATOM 232 O VAL A 17 -3.827 5.106 0.907 1.00 0.00 O ATOM 233 CB VAL A 17 -2.692 7.706 0.847 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.763 7.175 1.928 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.302 9.121 0.445 1.00 0.00 C ATOM 0 H VAL A 17 -4.604 6.880 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.699 6.824 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.703 7.733 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.785 7.845 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.091 6.182 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.747 7.117 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.315 9.766 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.300 9.114 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.011 9.498 -0.292 1.00 0.00 H new ATOM 245 N VAL A 18 -2.195 4.402 -0.473 1.00 0.00 N ATOM 246 CA VAL A 18 -2.353 2.996 -0.121 1.00 0.00 C ATOM 247 C VAL A 18 -1.427 2.610 1.028 1.00 0.00 C ATOM 248 O VAL A 18 -0.206 2.575 0.870 1.00 0.00 O ATOM 249 CB VAL A 18 -2.067 2.080 -1.326 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.885 2.606 -2.128 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.816 0.653 -0.862 1.00 0.00 C ATOM 0 H VAL A 18 -1.467 4.585 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.389 2.862 0.190 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.943 2.077 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.698 1.946 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.109 3.609 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.000 2.640 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.616 0.019 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.957 0.634 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.695 0.282 -0.336 1.00 0.00 H new ATOM 261 N HIS A 19 -2.016 2.321 2.183 1.00 0.00 N ATOM 262 CA HIS A 19 -1.244 1.936 3.360 1.00 0.00 C ATOM 263 C HIS A 19 -1.002 0.429 3.381 1.00 0.00 C ATOM 264 O HIS A 19 -1.923 -0.360 3.167 1.00 0.00 O ATOM 265 CB HIS A 19 -1.969 2.365 4.635 1.00 0.00 C ATOM 266 CG HIS A 19 -1.321 1.866 5.889 1.00 0.00 C ATOM 267 ND1 HIS A 19 -0.015 1.748 6.226 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -2.037 1.413 6.978 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.033 1.233 7.498 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.200 1.040 7.929 1.00 0.00 N flip ATOM 0 H HIS A 19 -3.025 2.346 2.330 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.279 2.441 3.313 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.015 3.454 4.668 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.997 2.003 4.598 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.785 1.996 5.643 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.114 1.370 7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.933 1.020 8.055 1.00 0.00 H new ATOM 278 N ILE A 20 0.240 0.037 3.640 1.00 0.00 N ATOM 279 CA ILE A 20 0.602 -1.374 3.690 1.00 0.00 C ATOM 280 C ILE A 20 1.341 -1.707 4.982 1.00 0.00 C ATOM 281 O ILE A 20 2.279 -1.012 5.368 1.00 0.00 O ATOM 282 CB ILE A 20 1.483 -1.771 2.491 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.870 -1.258 1.187 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.658 -3.282 2.441 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.868 -0.575 0.277 1.00 0.00 C ATOM 0 H ILE A 20 1.014 0.677 3.819 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.329 -1.940 3.651 1.00 0.00 H new ATOM 0 HB ILE A 20 2.465 -1.314 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.418 -2.094 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.068 -0.559 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.283 -3.548 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.134 -3.624 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.683 -3.758 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.363 -0.237 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.303 0.282 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.658 -1.277 0.011 1.00 0.00 H new ATOM 297 N MET A 21 0.911 -2.776 5.644 1.00 0.00 N ATOM 298 CA MET A 21 1.533 -3.203 6.891 1.00 0.00 C ATOM 299 C MET A 21 1.849 -4.695 6.857 1.00 0.00 C ATOM 300 O MET A 21 1.591 -5.371 5.862 1.00 0.00 O ATOM 301 CB MET A 21 0.618 -2.891 8.077 1.00 0.00 C ATOM 302 CG MET A 21 -0.267 -1.674 7.856 1.00 0.00 C ATOM 303 SD MET A 21 -1.991 -2.114 7.558 1.00 0.00 S ATOM 304 CE MET A 21 -2.210 -1.507 5.887 1.00 0.00 C ATOM 0 H MET A 21 0.134 -3.362 5.337 1.00 0.00 H new ATOM 0 HA MET A 21 2.467 -2.653 7.008 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.012 -3.757 8.277 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.229 -2.730 8.965 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.208 -1.023 8.728 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.111 -1.104 7.007 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.099 -0.878 5.842 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.337 -0.923 5.595 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.327 -2.350 5.206 1.00 0.00 H new ATOM 314 N ASP A 22 2.408 -5.202 7.951 1.00 0.00 N ATOM 315 CA ASP A 22 2.759 -6.615 8.047 1.00 0.00 C ATOM 316 C ASP A 22 3.801 -6.987 6.997 1.00 0.00 C ATOM 317 O ASP A 22 4.061 -8.167 6.758 1.00 0.00 O ATOM 318 CB ASP A 22 1.512 -7.483 7.877 1.00 0.00 C ATOM 319 CG ASP A 22 0.660 -7.526 9.131 1.00 0.00 C ATOM 320 OD1 ASP A 22 0.573 -6.491 9.826 1.00 0.00 O ATOM 321 OD2 ASP A 22 0.081 -8.594 9.418 1.00 0.00 O ATOM 0 H ASP A 22 2.628 -4.656 8.784 1.00 0.00 H new ATOM 0 HA ASP A 22 3.185 -6.794 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.916 -7.099 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.812 -8.496 7.610 1.00 0.00 H new ATOM 326 N PHE A 23 4.394 -5.975 6.374 1.00 0.00 N ATOM 327 CA PHE A 23 5.407 -6.197 5.348 1.00 0.00 C ATOM 328 C PHE A 23 6.811 -6.059 5.931 1.00 0.00 C ATOM 329 O PHE A 23 7.054 -5.218 6.796 1.00 0.00 O ATOM 330 CB PHE A 23 5.222 -5.208 4.196 1.00 0.00 C ATOM 331 CG PHE A 23 5.684 -3.816 4.521 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.019 -3.469 4.401 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.781 -2.854 4.946 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.446 -2.189 4.701 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.203 -1.572 5.247 1.00 0.00 C ATOM 336 CZ PHE A 23 6.536 -1.239 5.123 1.00 0.00 C ATOM 0 H PHE A 23 4.191 -4.993 6.561 1.00 0.00 H new ATOM 0 HA PHE A 23 5.288 -7.212 4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.769 -5.570 3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.168 -5.177 3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.735 -4.207 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.736 -3.109 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.491 -1.932 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.490 -0.832 5.579 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.867 -0.238 5.355 1.00 0.00 H new ATOM 346 N GLN A 24 7.728 -6.892 5.452 1.00 0.00 N ATOM 347 CA GLN A 24 9.107 -6.865 5.926 1.00 0.00 C ATOM 348 C GLN A 24 10.001 -6.100 4.956 1.00 0.00 C ATOM 349 O GLN A 24 9.522 -5.514 3.985 1.00 0.00 O ATOM 350 CB GLN A 24 9.634 -8.289 6.110 1.00 0.00 C ATOM 351 CG GLN A 24 8.928 -9.063 7.211 1.00 0.00 C ATOM 352 CD GLN A 24 9.379 -8.649 8.597 1.00 0.00 C ATOM 353 OE1 GLN A 24 9.307 -7.475 8.961 1.00 0.00 O ATOM 354 NE2 GLN A 24 9.849 -9.613 9.380 1.00 0.00 N ATOM 0 H GLN A 24 7.542 -7.594 4.736 1.00 0.00 H new ATOM 0 HA GLN A 24 9.124 -6.353 6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.527 -8.831 5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.700 -8.247 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.852 -8.912 7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.113 -10.129 7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.891 -10.573 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.168 -9.394 10.324 1.00 0.00 H new ATOM 363 N ARG A 25 11.302 -6.109 5.225 1.00 0.00 N ATOM 364 CA ARG A 25 12.263 -5.414 4.378 1.00 0.00 C ATOM 365 C ARG A 25 13.506 -6.270 4.151 1.00 0.00 C ATOM 366 O ARG A 25 13.654 -7.338 4.743 1.00 0.00 O ATOM 367 CB ARG A 25 12.659 -4.078 5.007 1.00 0.00 C ATOM 368 CG ARG A 25 11.475 -3.263 5.503 1.00 0.00 C ATOM 369 CD ARG A 25 11.791 -1.776 5.521 1.00 0.00 C ATOM 370 NE ARG A 25 12.074 -1.293 6.869 1.00 0.00 N ATOM 371 CZ ARG A 25 13.256 -1.418 7.461 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.261 -2.007 6.825 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.437 -0.952 8.690 1.00 0.00 N ATOM 0 H ARG A 25 11.715 -6.590 6.024 1.00 0.00 H new ATOM 0 HA ARG A 25 11.790 -5.227 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.335 -4.265 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.212 -3.491 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.612 -3.445 4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.201 -3.590 6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.649 -1.580 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.949 -1.221 5.107 1.00 0.00 H new ATOM 0 HE ARG A 25 11.323 -0.834 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.126 -2.365 5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.168 -2.102 7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.668 -0.497 9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.346 -1.049 9.143 1.00 0.00 H new ATOM 387 N GLY A 26 14.398 -5.793 3.288 1.00 0.00 N ATOM 388 CA GLY A 26 15.616 -6.526 2.998 1.00 0.00 C ATOM 389 C GLY A 26 16.298 -6.041 1.734 1.00 0.00 C ATOM 390 O GLY A 26 17.048 -5.065 1.758 1.00 0.00 O ATOM 0 H GLY A 26 14.298 -4.912 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.304 -6.429 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.383 -7.586 2.898 1.00 0.00 H new ATOM 394 N LYS A 27 16.038 -6.724 0.624 1.00 0.00 N ATOM 395 CA LYS A 27 16.631 -6.360 -0.657 1.00 0.00 C ATOM 396 C LYS A 27 15.551 -6.034 -1.684 1.00 0.00 C ATOM 397 O LYS A 27 14.698 -6.867 -1.987 1.00 0.00 O ATOM 398 CB LYS A 27 17.516 -7.495 -1.175 1.00 0.00 C ATOM 399 CG LYS A 27 16.843 -8.855 -1.140 1.00 0.00 C ATOM 400 CD LYS A 27 17.656 -9.861 -0.342 1.00 0.00 C ATOM 401 CE LYS A 27 16.773 -10.954 0.241 1.00 0.00 C ATOM 402 NZ LYS A 27 16.853 -12.213 -0.551 1.00 0.00 N ATOM 0 H LYS A 27 15.419 -7.534 0.586 1.00 0.00 H new ATOM 0 HA LYS A 27 17.243 -5.471 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.815 -7.273 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.428 -7.535 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.850 -8.759 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.708 -9.221 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.415 -10.308 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.182 -9.348 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.073 -11.153 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.740 -10.609 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.237 -12.933 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.543 -12.030 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.835 -12.557 -0.558 1.00 0.00 H new ATOM 416 N ASN A 28 15.595 -4.817 -2.217 1.00 0.00 N ATOM 417 CA ASN A 28 14.621 -4.383 -3.211 1.00 0.00 C ATOM 418 C ASN A 28 13.223 -4.306 -2.606 1.00 0.00 C ATOM 419 O ASN A 28 12.220 -4.426 -3.312 1.00 0.00 O ATOM 420 CB ASN A 28 14.619 -5.339 -4.406 1.00 0.00 C ATOM 421 CG ASN A 28 16.007 -5.545 -4.983 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.791 -6.342 -4.469 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.315 -4.826 -6.055 1.00 0.00 N ATOM 0 H ASN A 28 16.295 -4.115 -1.977 1.00 0.00 H new ATOM 0 HA ASN A 28 14.906 -3.387 -3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.210 -6.301 -4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.961 -4.946 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.234 -4.922 -6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.633 -4.177 -6.447 1.00 0.00 H new ATOM 430 N LEU A 29 13.162 -4.106 -1.294 1.00 0.00 N ATOM 431 CA LEU A 29 11.887 -4.013 -0.592 1.00 0.00 C ATOM 432 C LEU A 29 10.979 -2.978 -1.248 1.00 0.00 C ATOM 433 O LEU A 29 9.858 -3.289 -1.653 1.00 0.00 O ATOM 434 CB LEU A 29 12.116 -3.648 0.876 1.00 0.00 C ATOM 435 CG LEU A 29 10.860 -3.356 1.699 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.408 -1.920 1.490 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.747 -4.327 1.335 1.00 0.00 C ATOM 0 H LEU A 29 13.981 -4.005 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 29 11.398 -4.986 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.657 -4.466 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.764 -2.772 0.915 1.00 0.00 H new ATOM 0 HG LEU A 29 11.100 -3.489 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.513 -1.730 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.201 -1.240 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.185 -1.759 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.861 -4.105 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.508 -4.226 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.073 -5.347 1.537 1.00 0.00 H new ATOM 449 N ARG A 30 11.470 -1.747 -1.353 1.00 0.00 N ATOM 450 CA ARG A 30 10.702 -0.667 -1.961 1.00 0.00 C ATOM 451 C ARG A 30 10.047 -1.131 -3.259 1.00 0.00 C ATOM 452 O ARG A 30 8.961 -0.674 -3.616 1.00 0.00 O ATOM 453 CB ARG A 30 11.605 0.537 -2.234 1.00 0.00 C ATOM 454 CG ARG A 30 10.908 1.664 -2.980 1.00 0.00 C ATOM 455 CD ARG A 30 11.843 2.335 -3.974 1.00 0.00 C ATOM 456 NE ARG A 30 13.018 2.906 -3.322 1.00 0.00 N ATOM 457 CZ ARG A 30 14.061 3.395 -3.982 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.074 3.384 -5.308 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.094 3.898 -3.317 1.00 0.00 N ATOM 0 H ARG A 30 12.396 -1.473 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 30 9.918 -0.373 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.983 0.919 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.469 0.209 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.038 1.271 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.542 2.403 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.161 1.607 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.305 3.121 -4.504 1.00 0.00 H new ATOM 0 HE ARG A 30 13.039 2.931 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.282 2.999 -5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.876 3.760 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.087 3.909 -2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.894 4.273 -3.826 1.00 0.00 H new ATOM 473 N TYR A 31 10.715 -2.039 -3.961 1.00 0.00 N ATOM 474 CA TYR A 31 10.199 -2.562 -5.222 1.00 0.00 C ATOM 475 C TYR A 31 9.093 -3.583 -4.975 1.00 0.00 C ATOM 476 O TYR A 31 8.089 -3.609 -5.687 1.00 0.00 O ATOM 477 CB TYR A 31 11.328 -3.202 -6.032 1.00 0.00 C ATOM 478 CG TYR A 31 10.858 -4.297 -6.963 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.312 -3.995 -8.204 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.963 -5.634 -6.601 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.882 -4.993 -9.057 1.00 0.00 C ATOM 482 CE2 TYR A 31 10.536 -6.639 -7.448 1.00 0.00 C ATOM 483 CZ TYR A 31 9.996 -6.313 -8.675 1.00 0.00 C ATOM 484 OH TYR A 31 9.569 -7.310 -9.521 1.00 0.00 O ATOM 0 H TYR A 31 11.615 -2.429 -3.679 1.00 0.00 H new ATOM 0 HA TYR A 31 9.781 -1.730 -5.788 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.828 -2.430 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.069 -3.613 -5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.222 -2.962 -8.507 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.386 -5.892 -5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.459 -4.741 -10.018 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.625 -7.674 -7.151 1.00 0.00 H new ATOM 0 HH TYR A 31 9.721 -8.182 -9.101 1.00 0.00 H new ATOM 494 N GLN A 32 9.285 -4.421 -3.962 1.00 0.00 N ATOM 495 CA GLN A 32 8.304 -5.444 -3.621 1.00 0.00 C ATOM 496 C GLN A 32 6.941 -4.820 -3.339 1.00 0.00 C ATOM 497 O GLN A 32 5.907 -5.346 -3.751 1.00 0.00 O ATOM 498 CB GLN A 32 8.773 -6.246 -2.405 1.00 0.00 C ATOM 499 CG GLN A 32 10.098 -6.958 -2.620 1.00 0.00 C ATOM 500 CD GLN A 32 9.923 -8.420 -2.983 1.00 0.00 C ATOM 501 OE1 GLN A 32 9.052 -9.104 -2.445 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.753 -8.907 -3.898 1.00 0.00 N ATOM 0 H GLN A 32 10.111 -4.412 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 32 8.206 -6.115 -4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.865 -5.575 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.011 -6.983 -2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.652 -6.455 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.698 -6.882 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.460 -8.304 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.683 -9.884 -4.181 1.00 0.00 H new ATOM 511 N LEU A 33 6.947 -3.694 -2.632 1.00 0.00 N ATOM 512 CA LEU A 33 5.711 -2.998 -2.294 1.00 0.00 C ATOM 513 C LEU A 33 5.167 -2.237 -3.499 1.00 0.00 C ATOM 514 O LEU A 33 3.963 -2.240 -3.757 1.00 0.00 O ATOM 515 CB LEU A 33 5.949 -2.032 -1.131 1.00 0.00 C ATOM 516 CG LEU A 33 6.505 -2.651 0.152 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.002 -1.566 1.095 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.448 -3.508 0.832 1.00 0.00 C ATOM 0 H LEU A 33 7.793 -3.245 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 33 4.973 -3.743 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.638 -1.256 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.005 -1.540 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 33 7.348 -3.290 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.394 -2.025 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.791 -0.994 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.177 -0.901 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.861 -3.940 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.585 -2.891 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.139 -4.308 0.159 1.00 0.00 H new ATOM 530 N LEU A 34 6.063 -1.587 -4.235 1.00 0.00 N ATOM 531 CA LEU A 34 5.674 -0.823 -5.415 1.00 0.00 C ATOM 532 C LEU A 34 5.097 -1.738 -6.491 1.00 0.00 C ATOM 533 O LEU A 34 4.315 -1.303 -7.334 1.00 0.00 O ATOM 534 CB LEU A 34 6.877 -0.058 -5.971 1.00 0.00 C ATOM 535 CG LEU A 34 7.349 1.140 -5.147 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.714 1.610 -5.625 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.336 2.273 -5.223 1.00 0.00 C ATOM 0 H LEU A 34 7.063 -1.574 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 34 4.904 -0.111 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.709 -0.754 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.629 0.291 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 34 7.438 0.829 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.035 2.463 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.436 0.800 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.651 1.904 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.689 3.117 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.215 2.584 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.378 1.931 -4.832 1.00 0.00 H new ATOM 549 N GLN A 35 5.489 -3.007 -6.452 1.00 0.00 N ATOM 550 CA GLN A 35 5.009 -3.985 -7.423 1.00 0.00 C ATOM 551 C GLN A 35 3.535 -4.304 -7.191 1.00 0.00 C ATOM 552 O GLN A 35 2.886 -4.932 -8.028 1.00 0.00 O ATOM 553 CB GLN A 35 5.840 -5.266 -7.342 1.00 0.00 C ATOM 554 CG GLN A 35 7.115 -5.218 -8.169 1.00 0.00 C ATOM 555 CD GLN A 35 6.846 -5.270 -9.659 1.00 0.00 C ATOM 556 OE1 GLN A 35 6.565 -6.333 -10.214 1.00 0.00 O ATOM 557 NE2 GLN A 35 6.929 -4.121 -10.317 1.00 0.00 N ATOM 0 H GLN A 35 6.137 -3.383 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 35 5.116 -3.554 -8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.099 -5.456 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.231 -6.106 -7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.662 -4.305 -7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.756 -6.054 -7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.165 -3.263 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.757 -4.095 -11.322 1.00 0.00 H new ATOM 566 N LEU A 36 3.014 -3.869 -6.049 1.00 0.00 N ATOM 567 CA LEU A 36 1.616 -4.109 -5.707 1.00 0.00 C ATOM 568 C LEU A 36 0.713 -3.045 -6.324 1.00 0.00 C ATOM 569 O LEU A 36 -0.504 -3.213 -6.392 1.00 0.00 O ATOM 570 CB LEU A 36 1.439 -4.125 -4.188 1.00 0.00 C ATOM 571 CG LEU A 36 2.263 -5.163 -3.426 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.223 -4.885 -1.931 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.758 -6.568 -3.723 1.00 0.00 C ATOM 0 H LEU A 36 3.538 -3.349 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 36 1.330 -5.080 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.691 -3.137 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.385 -4.294 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 36 3.298 -5.092 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.815 -5.634 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.633 -3.895 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.192 -4.927 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.356 -7.294 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.715 -6.652 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.841 -6.766 -4.792 1.00 0.00 H new ATOM 585 N VAL A 37 1.320 -1.952 -6.776 1.00 0.00 N ATOM 586 CA VAL A 37 0.572 -0.862 -7.392 1.00 0.00 C ATOM 587 C VAL A 37 1.108 -0.545 -8.783 1.00 0.00 C ATOM 588 O VAL A 37 0.418 0.062 -9.601 1.00 0.00 O ATOM 589 CB VAL A 37 0.625 0.412 -6.530 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.078 0.138 -5.136 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.047 0.948 -6.458 1.00 0.00 C ATOM 0 H VAL A 37 2.327 -1.798 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.463 -1.194 -7.472 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.002 1.172 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.124 1.050 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.957 -0.195 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.675 -0.638 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.066 1.849 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.698 0.194 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.398 1.186 -7.462 1.00 0.00 H new ATOM 601 N GLU A 38 2.344 -0.960 -9.044 1.00 0.00 N ATOM 602 CA GLU A 38 2.973 -0.719 -10.336 1.00 0.00 C ATOM 603 C GLU A 38 2.059 -1.157 -11.477 1.00 0.00 C ATOM 604 O GLU A 38 1.657 -0.360 -12.325 1.00 0.00 O ATOM 605 CB GLU A 38 4.309 -1.461 -10.425 1.00 0.00 C ATOM 606 CG GLU A 38 5.507 -0.540 -10.590 1.00 0.00 C ATOM 607 CD GLU A 38 6.244 -0.770 -11.895 1.00 0.00 C ATOM 608 OE1 GLU A 38 6.286 -1.929 -12.357 1.00 0.00 O ATOM 609 OE2 GLU A 38 6.779 0.211 -12.454 1.00 0.00 O ATOM 0 H GLU A 38 2.929 -1.464 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 38 3.153 0.352 -10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.443 -2.060 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.275 -2.153 -11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.173 0.496 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.194 -0.691 -9.757 1.00 0.00 H new ATOM 616 N PRO A 39 1.723 -2.455 -11.500 1.00 0.00 N ATOM 617 CA PRO A 39 0.853 -3.030 -12.531 1.00 0.00 C ATOM 618 C PRO A 39 -0.590 -2.557 -12.399 1.00 0.00 C ATOM 619 O PRO A 39 -1.462 -2.973 -13.163 1.00 0.00 O ATOM 620 CB PRO A 39 0.948 -4.536 -12.276 1.00 0.00 C ATOM 621 CG PRO A 39 1.305 -4.655 -10.833 1.00 0.00 C ATOM 622 CD PRO A 39 2.166 -3.462 -10.520 1.00 0.00 C ATOM 0 HA PRO A 39 1.159 -2.734 -13.535 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.003 -5.034 -12.492 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.705 -4.998 -12.910 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.411 -4.666 -10.209 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.840 -5.584 -10.639 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.019 -3.118 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.226 -3.691 -10.630 1.00 0.00 H new ATOM 630 N PHE A 40 -0.837 -1.686 -11.427 1.00 0.00 N ATOM 631 CA PHE A 40 -2.177 -1.158 -11.196 1.00 0.00 C ATOM 632 C PHE A 40 -2.265 0.305 -11.622 1.00 0.00 C ATOM 633 O PHE A 40 -3.355 0.846 -11.801 1.00 0.00 O ATOM 634 CB PHE A 40 -2.554 -1.293 -9.719 1.00 0.00 C ATOM 635 CG PHE A 40 -2.685 -2.718 -9.262 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.588 -3.406 -8.771 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.907 -3.368 -9.325 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.706 -4.717 -8.349 1.00 0.00 C ATOM 639 CE2 PHE A 40 -4.032 -4.678 -8.904 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.930 -5.354 -8.417 1.00 0.00 C ATOM 0 H PHE A 40 -0.127 -1.331 -10.786 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.878 -1.737 -11.797 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.799 -0.793 -9.112 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.497 -0.775 -9.544 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.629 -2.912 -8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.771 -2.845 -9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.843 -5.242 -7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.990 -5.173 -8.956 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.025 -6.379 -8.090 1.00 0.00 H new ATOM 650 N GLY A 41 -1.108 0.940 -11.784 1.00 0.00 N ATOM 651 CA GLY A 41 -1.076 2.333 -12.188 1.00 0.00 C ATOM 652 C GLY A 41 0.332 2.894 -12.226 1.00 0.00 C ATOM 653 O GLY A 41 1.293 2.163 -12.466 1.00 0.00 O ATOM 0 H GLY A 41 -0.192 0.514 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.530 2.433 -13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.680 2.922 -11.498 1.00 0.00 H new ATOM 657 N VAL A 42 0.455 4.196 -11.991 1.00 0.00 N ATOM 658 CA VAL A 42 1.756 4.855 -11.999 1.00 0.00 C ATOM 659 C VAL A 42 2.201 5.211 -10.585 1.00 0.00 C ATOM 660 O VAL A 42 1.373 5.454 -9.706 1.00 0.00 O ATOM 661 CB VAL A 42 1.732 6.134 -12.855 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.407 6.864 -12.689 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.898 7.040 -12.493 1.00 0.00 C ATOM 0 H VAL A 42 -0.330 4.816 -11.793 1.00 0.00 H new ATOM 0 HA VAL A 42 2.465 4.150 -12.433 1.00 0.00 H new ATOM 0 HB VAL A 42 1.834 5.850 -13.902 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.409 7.765 -13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.409 6.213 -13.004 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.271 7.137 -11.643 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.865 7.939 -13.108 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.830 7.317 -11.441 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.836 6.514 -12.670 1.00 0.00 H new ATOM 673 N ILE A 43 3.512 5.242 -10.374 1.00 0.00 N ATOM 674 CA ILE A 43 4.067 5.572 -9.067 1.00 0.00 C ATOM 675 C ILE A 43 4.350 7.065 -8.949 1.00 0.00 C ATOM 676 O ILE A 43 5.300 7.576 -9.542 1.00 0.00 O ATOM 677 CB ILE A 43 5.367 4.793 -8.793 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.149 3.296 -9.026 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.850 5.048 -7.374 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.097 2.691 -8.122 1.00 0.00 C ATOM 0 H ILE A 43 4.210 5.043 -11.091 1.00 0.00 H new ATOM 0 HA ILE A 43 3.319 5.287 -8.328 1.00 0.00 H new ATOM 0 HB ILE A 43 6.134 5.142 -9.484 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.859 3.136 -10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.092 2.772 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.769 4.490 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.040 6.113 -7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.087 4.724 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.995 1.628 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.394 2.819 -7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.142 3.189 -8.290 1.00 0.00 H new ATOM 692 N SER A 44 3.518 7.760 -8.179 1.00 0.00 N ATOM 693 CA SER A 44 3.677 9.197 -7.985 1.00 0.00 C ATOM 694 C SER A 44 4.697 9.488 -6.888 1.00 0.00 C ATOM 695 O SER A 44 5.602 10.302 -7.067 1.00 0.00 O ATOM 696 CB SER A 44 2.333 9.837 -7.630 1.00 0.00 C ATOM 697 OG SER A 44 1.815 10.575 -8.723 1.00 0.00 O ATOM 0 H SER A 44 2.728 7.352 -7.680 1.00 0.00 H new ATOM 0 HA SER A 44 4.041 9.626 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.623 9.062 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.456 10.494 -6.769 1.00 0.00 H new ATOM 0 HG SER A 44 1.273 11.320 -8.388 1.00 0.00 H new ATOM 703 N ASN A 45 4.543 8.815 -5.753 1.00 0.00 N ATOM 704 CA ASN A 45 5.450 9.002 -4.625 1.00 0.00 C ATOM 705 C ASN A 45 5.142 8.007 -3.510 1.00 0.00 C ATOM 706 O ASN A 45 4.000 7.890 -3.065 1.00 0.00 O ATOM 707 CB ASN A 45 5.348 10.432 -4.092 1.00 0.00 C ATOM 708 CG ASN A 45 6.303 11.379 -4.791 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.488 11.081 -4.945 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.792 12.528 -5.215 1.00 0.00 N ATOM 0 H ASN A 45 3.800 8.136 -5.589 1.00 0.00 H new ATOM 0 HA ASN A 45 6.467 8.825 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.327 10.792 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.557 10.434 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.387 13.206 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.804 12.733 -5.066 1.00 0.00 H new ATOM 717 N HIS A 46 6.169 7.292 -3.062 1.00 0.00 N ATOM 718 CA HIS A 46 6.009 6.308 -1.997 1.00 0.00 C ATOM 719 C HIS A 46 6.769 6.735 -0.745 1.00 0.00 C ATOM 720 O HIS A 46 7.615 7.629 -0.793 1.00 0.00 O ATOM 721 CB HIS A 46 6.501 4.937 -2.463 1.00 0.00 C ATOM 722 CG HIS A 46 7.879 4.961 -3.047 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.124 5.140 -4.393 1.00 0.00 N ATOM 724 CD2 HIS A 46 9.092 4.830 -2.460 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.427 5.116 -4.608 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.037 4.929 -3.451 1.00 0.00 N ATOM 0 H HIS A 46 7.121 7.375 -3.420 1.00 0.00 H new ATOM 0 HA HIS A 46 4.949 6.242 -1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.486 4.248 -1.618 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.807 4.545 -3.207 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.410 5.270 -5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.281 4.676 -1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.911 5.230 -5.567 1.00 0.00 H new ATOM 734 N LEU A 47 6.460 6.092 0.376 1.00 0.00 N ATOM 735 CA LEU A 47 7.113 6.404 1.643 1.00 0.00 C ATOM 736 C LEU A 47 7.298 5.147 2.486 1.00 0.00 C ATOM 737 O LEU A 47 6.349 4.395 2.713 1.00 0.00 O ATOM 738 CB LEU A 47 6.294 7.437 2.419 1.00 0.00 C ATOM 739 CG LEU A 47 6.769 7.739 3.841 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.107 9.003 4.368 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.482 6.561 4.760 1.00 0.00 C ATOM 0 H LEU A 47 5.761 5.351 0.433 1.00 0.00 H new ATOM 0 HA LEU A 47 8.097 6.818 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.291 8.368 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.262 7.090 2.468 1.00 0.00 H new ATOM 0 HG LEU A 47 7.847 7.901 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.457 9.202 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.364 9.844 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.025 8.870 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.827 6.793 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.410 6.367 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.004 5.677 4.393 1.00 0.00 H new ATOM 753 N ILE A 48 8.523 4.926 2.949 1.00 0.00 N ATOM 754 CA ILE A 48 8.831 3.761 3.769 1.00 0.00 C ATOM 755 C ILE A 48 9.584 4.163 5.033 1.00 0.00 C ATOM 756 O ILE A 48 10.781 4.449 4.991 1.00 0.00 O ATOM 757 CB ILE A 48 9.669 2.731 2.992 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.338 2.792 1.499 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.426 1.330 3.537 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.983 1.688 0.691 1.00 0.00 C ATOM 0 H ILE A 48 9.319 5.538 2.770 1.00 0.00 H new ATOM 0 HA ILE A 48 7.879 3.308 4.044 1.00 0.00 H new ATOM 0 HB ILE A 48 10.724 2.972 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.257 2.739 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.659 3.756 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.026 0.613 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.707 1.295 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.370 1.078 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.705 1.794 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.067 1.753 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.643 0.721 1.060 1.00 0.00 H new ATOM 772 N LEU A 49 8.876 4.181 6.157 1.00 0.00 N ATOM 773 CA LEU A 49 9.477 4.546 7.435 1.00 0.00 C ATOM 774 C LEU A 49 10.546 3.536 7.841 1.00 0.00 C ATOM 775 O LEU A 49 10.369 2.330 7.680 1.00 0.00 O ATOM 776 CB LEU A 49 8.402 4.632 8.520 1.00 0.00 C ATOM 777 CG LEU A 49 7.130 5.393 8.147 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.021 5.103 9.145 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.406 6.888 8.072 1.00 0.00 C ATOM 0 H LEU A 49 7.885 3.947 6.209 1.00 0.00 H new ATOM 0 HA LEU A 49 9.949 5.522 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.123 3.618 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.839 5.105 9.400 1.00 0.00 H new ATOM 0 HG LEU A 49 6.802 5.054 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.124 5.654 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.805 4.035 9.148 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.338 5.412 10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.489 7.414 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.759 7.242 9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.168 7.080 7.316 1.00 0.00 H new ATOM 791 N ASN A 50 11.656 4.039 8.372 1.00 0.00 N ATOM 792 CA ASN A 50 12.754 3.182 8.803 1.00 0.00 C ATOM 793 C ASN A 50 12.674 2.908 10.302 1.00 0.00 C ATOM 794 O ASN A 50 13.693 2.869 10.992 1.00 0.00 O ATOM 795 CB ASN A 50 14.098 3.828 8.462 1.00 0.00 C ATOM 796 CG ASN A 50 14.186 4.246 7.008 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.783 5.351 6.641 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.715 3.362 6.169 1.00 0.00 N ATOM 0 H ASN A 50 11.819 5.036 8.514 1.00 0.00 H new ATOM 0 HA ASN A 50 12.670 2.233 8.273 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.250 4.700 9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.902 3.127 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.800 3.587 5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.036 2.458 6.516 1.00 0.00 H new ATOM 805 N LYS A 51 11.456 2.718 10.799 1.00 0.00 N ATOM 806 CA LYS A 51 11.242 2.446 12.215 1.00 0.00 C ATOM 807 C LYS A 51 10.386 1.197 12.405 1.00 0.00 C ATOM 808 O LYS A 51 10.664 0.370 13.273 1.00 0.00 O ATOM 809 CB LYS A 51 10.570 3.645 12.889 1.00 0.00 C ATOM 810 CG LYS A 51 11.533 4.521 13.671 1.00 0.00 C ATOM 811 CD LYS A 51 11.519 4.182 15.152 1.00 0.00 C ATOM 812 CE LYS A 51 11.286 5.419 16.005 1.00 0.00 C ATOM 813 NZ LYS A 51 11.350 5.109 17.461 1.00 0.00 N ATOM 0 H LYS A 51 10.602 2.747 10.242 1.00 0.00 H new ATOM 0 HA LYS A 51 12.214 2.274 12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.078 4.250 12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.792 3.284 13.562 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.542 4.395 13.278 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.266 5.569 13.534 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.737 3.449 15.351 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.467 3.721 15.430 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.033 6.174 15.761 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.312 5.846 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.186 5.978 18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.620 4.407 17.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.288 4.725 17.693 1.00 0.00 H new ATOM 827 N ILE A 52 9.347 1.067 11.588 1.00 0.00 N ATOM 828 CA ILE A 52 8.454 -0.082 11.665 1.00 0.00 C ATOM 829 C ILE A 52 8.108 -0.604 10.275 1.00 0.00 C ATOM 830 O ILE A 52 8.676 -0.165 9.276 1.00 0.00 O ATOM 831 CB ILE A 52 7.151 0.266 12.409 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.202 1.035 11.488 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.457 1.077 13.660 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.730 2.390 11.071 1.00 0.00 C ATOM 0 H ILE A 52 9.103 1.743 10.865 1.00 0.00 H new ATOM 0 HA ILE A 52 8.984 -0.856 12.220 1.00 0.00 H new ATOM 0 HB ILE A 52 6.663 -0.661 12.710 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.011 0.438 10.596 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.245 1.167 11.994 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.527 1.316 14.175 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.100 0.497 14.322 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.964 2.000 13.380 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.005 2.878 10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.894 3.005 11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.672 2.265 10.537 1.00 0.00 H new ATOM 846 N ASN A 53 7.170 -1.544 10.218 1.00 0.00 N ATOM 847 CA ASN A 53 6.746 -2.125 8.949 1.00 0.00 C ATOM 848 C ASN A 53 5.531 -1.390 8.393 1.00 0.00 C ATOM 849 O ASN A 53 4.535 -2.009 8.021 1.00 0.00 O ATOM 850 CB ASN A 53 6.420 -3.610 9.128 1.00 0.00 C ATOM 851 CG ASN A 53 7.660 -4.451 9.364 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.730 -4.160 8.830 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.520 -5.499 10.167 1.00 0.00 N ATOM 0 H ASN A 53 6.689 -1.920 11.035 1.00 0.00 H new ATOM 0 HA ASN A 53 7.567 -2.023 8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.737 -3.730 9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.901 -3.974 8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.319 -6.101 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.613 -5.702 10.588 1.00 0.00 H new ATOM 860 N GLU A 54 5.622 -0.065 8.338 1.00 0.00 N ATOM 861 CA GLU A 54 4.530 0.755 7.826 1.00 0.00 C ATOM 862 C GLU A 54 4.980 1.565 6.614 1.00 0.00 C ATOM 863 O GLU A 54 5.974 2.288 6.671 1.00 0.00 O ATOM 864 CB GLU A 54 4.014 1.694 8.918 1.00 0.00 C ATOM 865 CG GLU A 54 3.072 1.023 9.903 1.00 0.00 C ATOM 866 CD GLU A 54 2.183 2.015 10.629 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.591 3.188 10.765 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.081 1.618 11.062 1.00 0.00 O ATOM 0 H GLU A 54 6.440 0.463 8.641 1.00 0.00 H new ATOM 0 HA GLU A 54 3.723 0.090 7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.864 2.105 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.499 2.533 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.449 0.304 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.655 0.462 10.633 1.00 0.00 H new ATOM 875 N ALA A 55 4.239 1.437 5.517 1.00 0.00 N ATOM 876 CA ALA A 55 4.560 2.158 4.291 1.00 0.00 C ATOM 877 C ALA A 55 3.297 2.683 3.617 1.00 0.00 C ATOM 878 O ALA A 55 2.192 2.219 3.898 1.00 0.00 O ATOM 879 CB ALA A 55 5.334 1.260 3.339 1.00 0.00 C ATOM 0 H ALA A 55 3.413 0.841 5.453 1.00 0.00 H new ATOM 0 HA ALA A 55 5.183 3.013 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.567 1.811 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.260 0.937 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.730 0.387 3.091 1.00 0.00 H new ATOM 885 N PHE A 56 3.467 3.655 2.727 1.00 0.00 N ATOM 886 CA PHE A 56 2.341 4.245 2.014 1.00 0.00 C ATOM 887 C PHE A 56 2.749 4.665 0.604 1.00 0.00 C ATOM 888 O PHE A 56 3.655 5.478 0.426 1.00 0.00 O ATOM 889 CB PHE A 56 1.801 5.453 2.782 1.00 0.00 C ATOM 890 CG PHE A 56 1.657 5.211 4.257 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.745 5.343 5.104 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.433 4.850 4.797 1.00 0.00 C ATOM 893 CE1 PHE A 56 2.617 5.120 6.461 1.00 0.00 C ATOM 894 CE2 PHE A 56 0.298 4.628 6.155 1.00 0.00 C ATOM 895 CZ PHE A 56 1.391 4.761 6.988 1.00 0.00 C ATOM 0 H PHE A 56 4.375 4.051 2.482 1.00 0.00 H new ATOM 0 HA PHE A 56 1.557 3.492 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.468 6.301 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.830 5.730 2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.706 5.624 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.425 4.741 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.474 5.226 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.662 4.351 6.564 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.288 4.585 8.049 1.00 0.00 H new ATOM 905 N ILE A 57 2.072 4.104 -0.393 1.00 0.00 N ATOM 906 CA ILE A 57 2.363 4.420 -1.785 1.00 0.00 C ATOM 907 C ILE A 57 1.308 5.353 -2.369 1.00 0.00 C ATOM 908 O ILE A 57 0.112 5.078 -2.292 1.00 0.00 O ATOM 909 CB ILE A 57 2.439 3.146 -2.647 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.631 2.285 -2.221 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.542 3.509 -4.121 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.490 0.828 -2.603 1.00 0.00 C ATOM 0 H ILE A 57 1.319 3.429 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 57 3.333 4.918 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 57 1.526 2.569 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.538 2.685 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.755 2.359 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.595 2.598 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.665 4.085 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.440 4.104 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.370 0.278 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.601 0.412 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.397 0.743 -3.686 1.00 0.00 H new ATOM 924 N GLU A 58 1.762 6.457 -2.954 1.00 0.00 N ATOM 925 CA GLU A 58 0.856 7.431 -3.553 1.00 0.00 C ATOM 926 C GLU A 58 0.786 7.251 -5.066 1.00 0.00 C ATOM 927 O GLU A 58 1.806 7.279 -5.753 1.00 0.00 O ATOM 928 CB GLU A 58 1.307 8.854 -3.218 1.00 0.00 C ATOM 929 CG GLU A 58 0.289 9.919 -3.588 1.00 0.00 C ATOM 930 CD GLU A 58 0.002 10.874 -2.446 1.00 0.00 C ATOM 931 OE1 GLU A 58 0.220 10.486 -1.279 1.00 0.00 O ATOM 932 OE2 GLU A 58 -0.440 12.009 -2.720 1.00 0.00 O ATOM 0 H GLU A 58 2.750 6.699 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.139 7.266 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.515 8.918 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.242 9.061 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.655 10.484 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.639 9.438 -3.896 1.00 0.00 H new ATOM 939 N MET A 59 -0.426 7.064 -5.579 1.00 0.00 N ATOM 940 CA MET A 59 -0.630 6.880 -7.011 1.00 0.00 C ATOM 941 C MET A 59 -1.010 8.196 -7.680 1.00 0.00 C ATOM 942 O MET A 59 -1.582 9.083 -7.046 1.00 0.00 O ATOM 943 CB MET A 59 -1.718 5.833 -7.263 1.00 0.00 C ATOM 944 CG MET A 59 -1.395 4.469 -6.676 1.00 0.00 C ATOM 945 SD MET A 59 0.088 3.737 -7.392 1.00 0.00 S ATOM 946 CE MET A 59 -0.589 2.967 -8.860 1.00 0.00 C ATOM 0 H MET A 59 -1.281 7.036 -5.024 1.00 0.00 H new ATOM 0 HA MET A 59 0.307 6.531 -7.444 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.658 6.188 -6.840 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.870 5.730 -8.337 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.264 4.564 -5.598 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.240 3.799 -6.837 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.203 2.441 -9.393 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.367 2.259 -8.574 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.016 3.732 -9.508 1.00 0.00 H new ATOM 956 N ALA A 60 -0.688 8.317 -8.964 1.00 0.00 N ATOM 957 CA ALA A 60 -0.998 9.525 -9.719 1.00 0.00 C ATOM 958 C ALA A 60 -2.505 9.726 -9.839 1.00 0.00 C ATOM 959 O ALA A 60 -2.982 10.853 -9.981 1.00 0.00 O ATOM 960 CB ALA A 60 -0.360 9.463 -11.099 1.00 0.00 C ATOM 0 H ALA A 60 -0.213 7.593 -9.503 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.586 10.377 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.600 10.371 -11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.722 9.375 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.744 8.598 -11.639 1.00 0.00 H new ATOM 966 N THR A 61 -3.251 8.627 -9.781 1.00 0.00 N ATOM 967 CA THR A 61 -4.704 8.683 -9.885 1.00 0.00 C ATOM 968 C THR A 61 -5.362 7.704 -8.920 1.00 0.00 C ATOM 969 O THR A 61 -5.041 6.515 -8.910 1.00 0.00 O ATOM 970 CB THR A 61 -5.176 8.370 -11.317 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.759 7.054 -11.696 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.622 9.387 -12.304 1.00 0.00 C ATOM 0 H THR A 61 -2.873 7.687 -9.663 1.00 0.00 H new ATOM 0 HA THR A 61 -5.001 9.699 -9.626 1.00 0.00 H new ATOM 0 HB THR A 61 -6.265 8.424 -11.336 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.862 6.880 -11.342 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.969 9.145 -13.309 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.967 10.384 -12.031 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.533 9.361 -12.280 1.00 0.00 H new ATOM 980 N THR A 62 -6.285 8.210 -8.109 1.00 0.00 N ATOM 981 CA THR A 62 -6.988 7.380 -7.139 1.00 0.00 C ATOM 982 C THR A 62 -7.465 6.078 -7.773 1.00 0.00 C ATOM 983 O THR A 62 -7.583 5.056 -7.098 1.00 0.00 O ATOM 984 CB THR A 62 -8.198 8.120 -6.539 1.00 0.00 C ATOM 985 OG1 THR A 62 -8.978 7.220 -5.743 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.067 8.716 -7.637 1.00 0.00 C ATOM 0 H THR A 62 -6.563 9.191 -8.105 1.00 0.00 H new ATOM 0 HA THR A 62 -6.279 7.154 -6.343 1.00 0.00 H new ATOM 0 HB THR A 62 -7.826 8.930 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.648 7.726 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.915 9.234 -7.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.479 9.422 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.430 7.919 -8.286 1.00 0.00 H new ATOM 994 N GLU A 63 -7.738 6.124 -9.073 1.00 0.00 N ATOM 995 CA GLU A 63 -8.205 4.947 -9.797 1.00 0.00 C ATOM 996 C GLU A 63 -7.261 3.767 -9.579 1.00 0.00 C ATOM 997 O GLU A 63 -7.702 2.638 -9.365 1.00 0.00 O ATOM 998 CB GLU A 63 -8.320 5.253 -11.292 1.00 0.00 C ATOM 999 CG GLU A 63 -9.752 5.426 -11.768 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.992 4.808 -13.131 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -9.782 5.507 -14.145 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -10.391 3.626 -13.185 1.00 0.00 O ATOM 0 H GLU A 63 -7.644 6.963 -9.646 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.189 4.680 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.760 6.162 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.853 4.446 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.429 4.973 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.992 6.489 -11.808 1.00 0.00 H new ATOM 1009 N ASP A 64 -5.962 4.038 -9.637 1.00 0.00 N ATOM 1010 CA ASP A 64 -4.956 2.999 -9.446 1.00 0.00 C ATOM 1011 C ASP A 64 -4.974 2.481 -8.012 1.00 0.00 C ATOM 1012 O ASP A 64 -5.291 1.318 -7.766 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.565 3.537 -9.790 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.562 4.362 -11.062 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.383 4.075 -11.956 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.737 5.294 -11.162 1.00 0.00 O ATOM 0 H ASP A 64 -5.581 4.967 -9.815 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.193 2.171 -10.114 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.200 4.147 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.873 2.702 -9.900 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.631 3.353 -7.069 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.609 2.984 -5.659 1.00 0.00 C ATOM 1023 C ALA A 65 -5.855 2.191 -5.280 1.00 0.00 C ATOM 1024 O ALA A 65 -5.761 1.119 -4.682 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.487 4.226 -4.790 1.00 0.00 C ATOM 0 H ALA A 65 -4.365 4.320 -7.256 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.740 2.349 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.472 3.935 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.564 4.752 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.338 4.883 -4.972 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.020 2.726 -5.630 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.285 2.068 -5.325 1.00 0.00 C ATOM 1033 C GLN A 66 -8.320 0.658 -5.907 1.00 0.00 C ATOM 1034 O GLN A 66 -8.828 -0.271 -5.279 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.456 2.886 -5.871 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.728 4.158 -5.085 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.162 4.632 -5.220 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.092 3.968 -4.764 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.348 5.787 -5.850 1.00 0.00 N ATOM 0 H GLN A 66 -7.114 3.613 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.375 1.997 -4.241 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.253 3.147 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.354 2.267 -5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.504 3.985 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.056 4.944 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.548 6.305 -6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.291 6.156 -5.971 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.776 0.506 -7.110 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.744 -0.791 -7.775 1.00 0.00 C ATOM 1050 C ALA A 67 -6.787 -1.745 -7.069 1.00 0.00 C ATOM 1051 O ALA A 67 -7.103 -2.917 -6.864 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.346 -0.625 -9.234 1.00 0.00 C ATOM 0 H ALA A 67 -7.352 1.265 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.744 -1.221 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.326 -1.601 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.070 0.016 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.357 -0.171 -9.292 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.616 -1.237 -6.700 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.614 -2.045 -6.016 1.00 0.00 C ATOM 1060 C ALA A 68 -5.190 -2.686 -4.758 1.00 0.00 C ATOM 1061 O ALA A 68 -4.763 -3.765 -4.346 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.399 -1.197 -5.669 1.00 0.00 C ATOM 0 H ALA A 68 -5.338 -0.269 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.306 -2.844 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.659 -1.813 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.965 -0.791 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.701 -0.378 -5.016 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.165 -2.016 -4.152 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.801 -2.521 -2.940 1.00 0.00 C ATOM 1070 C VAL A 69 -7.763 -3.661 -3.259 1.00 0.00 C ATOM 1071 O VAL A 69 -7.813 -4.662 -2.545 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.569 -1.408 -2.203 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.392 -1.990 -1.065 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.606 -0.347 -1.689 1.00 0.00 C ATOM 0 H VAL A 69 -6.532 -1.123 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.004 -2.891 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.253 -0.934 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.927 -1.188 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.108 -2.708 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.731 -2.491 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.166 0.432 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.896 -0.804 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.066 0.091 -2.528 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.524 -3.501 -4.335 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.484 -4.518 -4.750 1.00 0.00 C ATOM 1086 C ASP A 70 -8.778 -5.833 -5.068 1.00 0.00 C ATOM 1087 O ASP A 70 -9.416 -6.882 -5.171 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.270 -4.040 -5.971 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.769 -4.178 -5.786 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.329 -3.464 -4.928 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.381 -4.999 -6.499 1.00 0.00 O ATOM 0 H ASP A 70 -8.495 -2.677 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.176 -4.687 -3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.026 -2.997 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.961 -4.613 -6.845 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.461 -5.770 -5.221 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.669 -6.955 -5.530 1.00 0.00 C ATOM 1098 C TYR A 71 -6.292 -7.705 -4.256 1.00 0.00 C ATOM 1099 O TYR A 71 -6.021 -8.906 -4.287 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.406 -6.564 -6.299 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.605 -7.749 -6.790 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -5.143 -8.648 -7.703 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.308 -7.970 -6.340 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -4.414 -9.732 -8.152 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.572 -9.051 -6.785 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.131 -9.929 -7.691 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.401 -11.007 -8.138 1.00 0.00 O ATOM 0 H TYR A 71 -6.918 -4.911 -5.136 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.275 -7.614 -6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.687 -5.947 -7.153 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.775 -5.950 -5.656 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.148 -8.497 -8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.868 -7.285 -5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.848 -10.422 -8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.566 -9.208 -6.426 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.516 -11.000 -7.717 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.276 -6.988 -3.139 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.930 -7.584 -1.853 1.00 0.00 C ATOM 1119 C TYR A 72 -7.118 -8.339 -1.266 1.00 0.00 C ATOM 1120 O TYR A 72 -6.949 -9.272 -0.478 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.465 -6.504 -0.876 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.802 -6.807 0.567 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.957 -7.583 1.350 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.966 -6.319 1.146 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.261 -7.863 2.669 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.278 -6.593 2.463 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.422 -7.365 3.220 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.730 -7.640 4.534 1.00 0.00 O ATOM 0 H TYR A 72 -6.498 -5.993 -3.097 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.117 -8.292 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.386 -6.381 -0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.920 -5.553 -1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.047 -7.974 0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.639 -5.715 0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.593 -8.468 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.187 -6.205 2.898 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.581 -7.214 4.767 1.00 0.00 H new ATOM 1138 N THR A 73 -8.322 -7.931 -1.656 1.00 0.00 N ATOM 1139 CA THR A 73 -9.539 -8.568 -1.168 1.00 0.00 C ATOM 1140 C THR A 73 -9.852 -9.834 -1.958 1.00 0.00 C ATOM 1141 O THR A 73 -10.348 -10.817 -1.405 1.00 0.00 O ATOM 1142 CB THR A 73 -10.745 -7.613 -1.254 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.939 -8.293 -0.848 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.915 -7.080 -2.667 1.00 0.00 C ATOM 0 H THR A 73 -8.480 -7.163 -2.308 1.00 0.00 H new ATOM 0 HA THR A 73 -9.363 -8.828 -0.124 1.00 0.00 H new ATOM 0 HB THR A 73 -10.561 -6.772 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.700 -7.679 -0.904 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.773 -6.408 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.017 -6.537 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.078 -7.912 -3.353 1.00 0.00 H new ATOM 1152 N THR A 74 -9.559 -9.805 -3.254 1.00 0.00 N ATOM 1153 CA THR A 74 -9.809 -10.950 -4.120 1.00 0.00 C ATOM 1154 C THR A 74 -8.594 -11.869 -4.179 1.00 0.00 C ATOM 1155 O THR A 74 -8.729 -13.092 -4.254 1.00 0.00 O ATOM 1156 CB THR A 74 -10.172 -10.506 -5.549 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.182 -9.598 -6.047 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.539 -9.839 -5.577 1.00 0.00 C ATOM 0 H THR A 74 -9.148 -9.000 -3.727 1.00 0.00 H new ATOM 0 HA THR A 74 -10.652 -11.492 -3.692 1.00 0.00 H new ATOM 0 HB THR A 74 -10.204 -11.391 -6.184 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.352 -8.701 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.774 -9.534 -6.597 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.294 -10.542 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.530 -8.963 -4.929 1.00 0.00 H new ATOM 1166 N THR A 75 -7.405 -11.275 -4.146 1.00 0.00 N ATOM 1167 CA THR A 75 -6.166 -12.042 -4.196 1.00 0.00 C ATOM 1168 C THR A 75 -5.276 -11.727 -2.999 1.00 0.00 C ATOM 1169 O THR A 75 -5.143 -10.577 -2.579 1.00 0.00 O ATOM 1170 CB THR A 75 -5.383 -11.758 -5.492 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.156 -12.159 -6.629 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.052 -12.495 -5.493 1.00 0.00 C ATOM 0 H THR A 75 -7.274 -10.265 -4.085 1.00 0.00 H new ATOM 0 HA THR A 75 -6.444 -13.096 -4.171 1.00 0.00 H new ATOM 0 HB THR A 75 -5.188 -10.687 -5.545 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.912 -11.608 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.517 -12.279 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.454 -12.167 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.230 -13.568 -5.419 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.651 -12.771 -2.435 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.761 -12.630 -1.278 1.00 0.00 C ATOM 1182 C PRO A 76 -2.461 -11.917 -1.631 1.00 0.00 C ATOM 1183 O PRO A 76 -1.723 -12.352 -2.514 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.482 -14.079 -0.868 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.679 -14.870 -2.114 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.764 -14.169 -2.884 1.00 0.00 C ATOM 0 HA PRO A 76 -4.210 -12.028 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.469 -14.193 -0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.161 -14.405 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.758 -14.919 -2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.965 -15.896 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.616 -14.259 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.747 -14.584 -2.662 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.186 -10.819 -0.934 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.973 -10.047 -1.172 1.00 0.00 C ATOM 1196 C ALA A 77 0.201 -10.612 -0.382 1.00 0.00 C ATOM 1197 O ALA A 77 0.363 -10.322 0.804 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.199 -8.585 -0.812 1.00 0.00 C ATOM 0 H ALA A 77 -2.787 -10.444 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.730 -10.116 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.285 -8.020 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.005 -8.180 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.469 -8.507 0.241 1.00 0.00 H new ATOM 1204 N LEU A 78 1.020 -11.422 -1.046 1.00 0.00 N ATOM 1205 CA LEU A 78 2.180 -12.030 -0.405 1.00 0.00 C ATOM 1206 C LEU A 78 3.448 -11.240 -0.713 1.00 0.00 C ATOM 1207 O LEU A 78 3.940 -11.250 -1.841 1.00 0.00 O ATOM 1208 CB LEU A 78 2.343 -13.478 -0.869 1.00 0.00 C ATOM 1209 CG LEU A 78 1.229 -14.443 -0.460 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.621 -15.877 -0.780 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.911 -14.294 1.021 1.00 0.00 C ATOM 0 H LEU A 78 0.901 -11.672 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 78 2.018 -12.016 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.420 -13.484 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.287 -13.859 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 78 0.334 -14.196 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.816 -16.549 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.798 -15.975 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.530 -16.136 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.116 -14.988 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.802 -14.514 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.586 -13.273 1.222 1.00 0.00 H new ATOM 1223 N VAL A 79 3.974 -10.557 0.299 1.00 0.00 N ATOM 1224 CA VAL A 79 5.187 -9.765 0.137 1.00 0.00 C ATOM 1225 C VAL A 79 6.406 -10.513 0.665 1.00 0.00 C ATOM 1226 O VAL A 79 6.451 -10.905 1.831 1.00 0.00 O ATOM 1227 CB VAL A 79 5.074 -8.412 0.865 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.371 -7.626 0.737 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.901 -7.612 0.321 1.00 0.00 C ATOM 0 H VAL A 79 3.579 -10.536 1.239 1.00 0.00 H new ATOM 0 HA VAL A 79 5.309 -9.586 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 79 4.896 -8.602 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.272 -6.673 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.188 -8.197 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.583 -7.444 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.836 -6.659 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.047 -7.430 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.978 -8.172 0.470 1.00 0.00 H new ATOM 1239 N PHE A 80 7.395 -10.706 -0.202 1.00 0.00 N ATOM 1240 CA PHE A 80 8.617 -11.407 0.176 1.00 0.00 C ATOM 1241 C PHE A 80 8.331 -12.876 0.475 1.00 0.00 C ATOM 1242 O PHE A 80 9.220 -13.622 0.883 1.00 0.00 O ATOM 1243 CB PHE A 80 9.255 -10.742 1.397 1.00 0.00 C ATOM 1244 CG PHE A 80 10.418 -9.853 1.056 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.458 -10.321 0.271 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.468 -8.549 1.521 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.528 -9.506 -0.045 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.536 -7.729 1.209 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.567 -8.208 0.425 1.00 0.00 C ATOM 0 H PHE A 80 7.374 -10.387 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 80 9.311 -11.353 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.499 -10.154 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.589 -11.515 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.433 -11.335 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.664 -8.169 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.333 -9.883 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.564 -6.714 1.578 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.402 -7.569 0.180 1.00 0.00 H new ATOM 1259 N GLY A 81 7.081 -13.283 0.269 1.00 0.00 N ATOM 1260 CA GLY A 81 6.699 -14.660 0.522 1.00 0.00 C ATOM 1261 C GLY A 81 5.722 -14.789 1.674 1.00 0.00 C ATOM 1262 O GLY A 81 5.170 -15.862 1.914 1.00 0.00 O ATOM 0 H GLY A 81 6.327 -12.684 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.252 -15.081 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.591 -15.247 0.739 1.00 0.00 H new ATOM 1266 N LYS A 82 5.510 -13.690 2.392 1.00 0.00 N ATOM 1267 CA LYS A 82 4.593 -13.683 3.526 1.00 0.00 C ATOM 1268 C LYS A 82 3.402 -12.769 3.257 1.00 0.00 C ATOM 1269 O LYS A 82 3.492 -11.797 2.508 1.00 0.00 O ATOM 1270 CB LYS A 82 5.321 -13.231 4.794 1.00 0.00 C ATOM 1271 CG LYS A 82 6.105 -11.941 4.617 1.00 0.00 C ATOM 1272 CD LYS A 82 7.546 -12.214 4.219 1.00 0.00 C ATOM 1273 CE LYS A 82 8.475 -11.107 4.693 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.767 -11.646 5.200 1.00 0.00 N ATOM 0 H LYS A 82 5.961 -12.794 2.208 1.00 0.00 H new ATOM 0 HA LYS A 82 4.224 -14.698 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.592 -13.097 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.002 -14.020 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.627 -11.325 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.085 -11.372 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.867 -13.166 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.614 -12.308 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.667 -10.417 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.986 -10.535 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.372 -10.860 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.586 -12.285 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.246 -12.170 4.440 1.00 0.00 H new ATOM 1288 N PRO A 83 2.259 -13.085 3.884 1.00 0.00 N ATOM 1289 CA PRO A 83 1.029 -12.303 3.729 1.00 0.00 C ATOM 1290 C PRO A 83 1.127 -10.932 4.391 1.00 0.00 C ATOM 1291 O PRO A 83 1.806 -10.768 5.405 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.028 -13.161 4.430 1.00 0.00 C ATOM 1293 CG PRO A 83 0.738 -13.972 5.418 1.00 0.00 C ATOM 1294 CD PRO A 83 2.079 -14.231 4.791 1.00 0.00 C ATOM 0 HA PRO A 83 0.805 -12.098 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.778 -12.542 4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.556 -13.797 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.845 -13.438 6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.223 -14.907 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.870 -14.279 5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.094 -15.177 4.250 1.00 0.00 H new ATOM 1302 N VAL A 84 0.444 -9.951 3.811 1.00 0.00 N ATOM 1303 CA VAL A 84 0.452 -8.594 4.346 1.00 0.00 C ATOM 1304 C VAL A 84 -0.931 -7.959 4.254 1.00 0.00 C ATOM 1305 O VAL A 84 -1.895 -8.601 3.836 1.00 0.00 O ATOM 1306 CB VAL A 84 1.464 -7.704 3.601 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.832 -8.368 3.560 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.970 -7.395 2.196 1.00 0.00 C ATOM 0 H VAL A 84 -0.122 -10.070 2.971 1.00 0.00 H new ATOM 0 HA VAL A 84 0.746 -8.668 5.393 1.00 0.00 H new ATOM 0 HB VAL A 84 1.560 -6.763 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.533 -7.724 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.188 -8.532 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.757 -9.325 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.698 -6.765 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.843 -8.325 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.015 -6.873 2.253 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.021 -6.692 4.648 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.287 -5.969 4.611 1.00 0.00 C ATOM 1320 C ARG A 85 -2.215 -4.797 3.636 1.00 0.00 C ATOM 1321 O ARG A 85 -1.172 -4.161 3.491 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.651 -5.463 6.008 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.323 -6.511 6.880 1.00 0.00 C ATOM 1324 CD ARG A 85 -4.517 -5.935 7.622 1.00 0.00 C ATOM 1325 NE ARG A 85 -4.472 -6.235 9.051 1.00 0.00 N ATOM 1326 CZ ARG A 85 -3.467 -5.880 9.843 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -2.430 -5.216 9.350 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -3.497 -6.190 11.133 1.00 0.00 N ATOM 0 H ARG A 85 -0.233 -6.146 4.996 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.060 -6.657 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.746 -5.114 6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.314 -4.603 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.647 -7.348 6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.603 -6.905 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.545 -4.855 7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.436 -6.337 7.196 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.254 -6.744 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.402 -4.976 8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.660 -4.945 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.292 -6.701 11.516 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.725 -5.917 11.741 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.331 -4.519 2.970 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.396 -3.424 2.009 1.00 0.00 C ATOM 1344 C VAL A 86 -4.684 -2.625 2.172 1.00 0.00 C ATOM 1345 O VAL A 86 -5.781 -3.146 1.960 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.304 -3.942 0.561 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.493 -2.801 -0.426 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.975 -4.644 0.330 1.00 0.00 C ATOM 0 H VAL A 86 -4.203 -5.037 3.078 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.543 -2.776 2.209 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.103 -4.666 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.425 -3.185 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.472 -2.347 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.717 -2.051 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.927 -5.003 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.158 -3.945 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.886 -5.488 1.014 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.545 -1.359 2.549 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.699 -0.486 2.738 1.00 0.00 C ATOM 1360 C HIS A 87 -5.562 0.784 1.905 1.00 0.00 C ATOM 1361 O HIS A 87 -4.479 1.103 1.413 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.854 -0.126 4.216 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.191 -1.298 5.086 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.927 -1.331 6.439 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.774 -2.483 4.789 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -6.331 -2.486 6.937 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.850 -3.203 5.957 1.00 0.00 N ATOM 0 H HIS A 87 -3.645 -0.914 2.730 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.588 -1.022 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.927 0.325 4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.635 0.628 4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.116 -2.803 3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.251 -2.792 7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.243 -4.139 6.052 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.668 1.505 1.748 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.671 2.740 0.973 1.00 0.00 C ATOM 1377 C LEU A 88 -6.924 3.946 1.871 1.00 0.00 C ATOM 1378 O LEU A 88 -8.067 4.361 2.066 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.737 2.674 -0.122 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.371 3.329 -1.455 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.382 4.844 -1.325 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.011 2.842 -1.933 1.00 0.00 C ATOM 0 H LEU A 88 -7.573 1.255 2.147 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.690 2.853 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.974 1.626 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.645 3.145 0.254 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.117 3.043 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.119 5.293 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.377 5.177 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.658 5.150 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.767 3.318 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.252 3.098 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.038 1.760 -2.066 1.00 0.00 H new