USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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 68 MET CE :methyl -175:sc= 0 (180deg=-0.0133) USER MOD Set 1.2: A 74 CYS SG : rot 125:sc= 0.941 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 143:sc= -0.556 (180deg=-2.52!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.233 (180deg=-0.442) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.03) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.09) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0101) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 167:sc= -0.0142 (180deg=-0.22) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0.817 (180deg=0.755) USER MOD Single : A 98 SER OG : rot 101:sc= 0.664 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 110 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.51) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.709 -7.961 12.754 1.00 0.00 N ATOM 281 CA ILE A 18 -2.728 -7.656 11.743 1.00 0.00 C ATOM 282 C ILE A 18 -3.720 -8.818 11.622 1.00 0.00 C ATOM 283 O ILE A 18 -4.926 -8.572 11.599 1.00 0.00 O ATOM 284 CB ILE A 18 -2.069 -7.265 10.393 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.990 -6.171 10.600 1.00 0.00 C ATOM 286 CG2 ILE A 18 -3.139 -6.789 9.395 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.390 -5.579 9.318 1.00 0.00 C ATOM 0 HA ILE A 18 -3.303 -6.786 12.059 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.578 -8.148 9.983 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.428 -5.360 11.183 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.181 -6.592 11.197 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.663 -6.518 8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.857 -7.591 9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.656 -5.921 9.803 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.353 -4.825 9.578 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.085 -6.371 8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.181 -5.120 8.724 1.00 0.00 H new ATOM 299 N ILE A 19 -3.251 -10.072 11.603 1.00 0.00 N ATOM 300 CA ILE A 19 -4.097 -11.241 11.334 1.00 0.00 C ATOM 301 C ILE A 19 -3.958 -12.335 12.411 1.00 0.00 C ATOM 302 O ILE A 19 -4.282 -13.492 12.165 1.00 0.00 O ATOM 303 CB ILE A 19 -3.853 -11.742 9.900 1.00 0.00 C ATOM 304 CG1 ILE A 19 -2.374 -12.110 9.721 1.00 0.00 C ATOM 305 CG2 ILE A 19 -4.320 -10.705 8.856 1.00 0.00 C ATOM 306 CD1 ILE A 19 -2.177 -12.932 8.466 1.00 0.00 C ATOM 0 H ILE A 19 -2.273 -10.305 11.774 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.142 -10.938 11.398 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.449 -12.640 9.735 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.772 -11.203 9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.026 -12.671 10.588 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.134 -11.089 7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.387 -10.518 8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.770 -9.775 8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.122 -13.183 8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.762 -13.849 8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.505 -12.357 7.600 1.00 0.00 H new ATOM 318 N VAL A 20 -3.479 -11.986 13.606 1.00 0.00 N ATOM 319 CA VAL A 20 -3.192 -12.927 14.695 1.00 0.00 C ATOM 320 C VAL A 20 -4.354 -13.886 15.028 1.00 0.00 C ATOM 321 O VAL A 20 -4.108 -15.059 15.318 1.00 0.00 O ATOM 322 CB VAL A 20 -2.690 -12.129 15.920 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.791 -11.290 16.589 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.029 -13.038 16.963 1.00 0.00 C ATOM 0 H VAL A 20 -3.274 -11.017 13.852 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.405 -13.603 14.359 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.944 -11.440 15.525 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.373 -10.755 17.442 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.190 -10.574 15.871 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.592 -11.946 16.930 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.691 -12.437 17.807 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.750 -13.778 17.310 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.176 -13.546 16.514 1.00 0.00 H new ATOM 334 N ASP A 21 -5.609 -13.422 14.958 1.00 0.00 N ATOM 335 CA ASP A 21 -6.808 -14.209 15.304 1.00 0.00 C ATOM 336 C ASP A 21 -7.600 -14.623 14.043 1.00 0.00 C ATOM 337 O ASP A 21 -8.690 -15.225 14.101 1.00 0.00 O ATOM 338 CB ASP A 21 -7.672 -13.378 16.265 1.00 0.00 C ATOM 339 CG ASP A 21 -8.875 -14.161 16.818 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.677 -15.228 17.443 1.00 0.00 O ATOM 341 OD2 ASP A 21 -10.024 -13.679 16.695 1.00 0.00 O ATOM 0 H ASP A 21 -5.827 -12.473 14.654 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.507 -15.136 15.792 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.055 -13.035 17.096 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.031 -12.489 15.746 1.00 0.00 H new ATOM 346 N ALA A 22 -7.035 -14.265 12.884 1.00 0.00 N ATOM 347 CA ALA A 22 -7.662 -14.344 11.587 1.00 0.00 C ATOM 348 C ALA A 22 -7.061 -15.492 10.778 1.00 0.00 C ATOM 349 O ALA A 22 -5.849 -15.584 10.580 1.00 0.00 O ATOM 350 CB ALA A 22 -7.499 -13.015 10.854 1.00 0.00 C ATOM 0 H ALA A 22 -6.085 -13.897 12.838 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.726 -14.542 11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.974 -13.079 9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.968 -12.220 11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.439 -12.796 10.729 1.00 0.00 H new ATOM 356 N GLU A 23 -7.951 -16.320 10.247 1.00 0.00 N ATOM 357 CA GLU A 23 -7.650 -17.385 9.290 1.00 0.00 C ATOM 358 C GLU A 23 -8.825 -17.580 8.329 1.00 0.00 C ATOM 359 O GLU A 23 -8.631 -18.088 7.223 1.00 0.00 O ATOM 360 CB GLU A 23 -7.400 -18.765 9.934 1.00 0.00 C ATOM 361 CG GLU A 23 -6.589 -18.877 11.233 1.00 0.00 C ATOM 362 CD GLU A 23 -7.508 -18.744 12.454 1.00 0.00 C ATOM 363 OE1 GLU A 23 -8.310 -19.658 12.750 1.00 0.00 O ATOM 364 OE2 GLU A 23 -7.549 -17.678 13.097 1.00 0.00 O ATOM 0 H GLU A 23 -8.943 -16.269 10.478 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.738 -17.055 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.375 -19.215 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.902 -19.384 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.071 -19.835 11.263 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.825 -18.100 11.260 1.00 0.00 H new ATOM 371 N ASP A 24 -10.044 -17.217 8.730 1.00 0.00 N ATOM 372 CA ASP A 24 -11.216 -17.297 7.899 1.00 0.00 C ATOM 373 C ASP A 24 -11.103 -16.062 7.002 1.00 0.00 C ATOM 374 O ASP A 24 -10.697 -14.994 7.467 1.00 0.00 O ATOM 375 CB ASP A 24 -12.456 -17.318 8.804 1.00 0.00 C ATOM 376 CG ASP A 24 -12.426 -18.439 9.882 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.841 -18.269 10.990 1.00 0.00 O ATOM 378 OD2 ASP A 24 -13.011 -19.516 9.622 1.00 0.00 O ATOM 0 H ASP A 24 -10.234 -16.853 9.664 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.301 -18.194 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.549 -16.352 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.344 -17.445 8.185 1.00 0.00 H new ATOM 383 N LYS A 25 -11.417 -16.187 5.714 1.00 0.00 N ATOM 384 CA LYS A 25 -11.115 -15.140 4.720 1.00 0.00 C ATOM 385 C LYS A 25 -11.664 -13.758 5.084 1.00 0.00 C ATOM 386 O LYS A 25 -11.002 -12.750 4.829 1.00 0.00 O ATOM 387 CB LYS A 25 -11.557 -15.585 3.317 1.00 0.00 C ATOM 388 CG LYS A 25 -13.079 -15.764 3.177 1.00 0.00 C ATOM 389 CD LYS A 25 -13.496 -16.262 1.787 1.00 0.00 C ATOM 390 CE LYS A 25 -12.945 -17.665 1.489 1.00 0.00 C ATOM 391 NZ LYS A 25 -13.388 -18.174 0.166 1.00 0.00 N ATOM 0 H LYS A 25 -11.884 -17.006 5.325 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.032 -15.017 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.218 -14.849 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.065 -16.526 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.427 -16.471 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.572 -14.813 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.584 -16.278 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.139 -15.564 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.856 -17.640 1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.270 -18.354 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.992 -19.123 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.427 -18.224 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.056 -17.532 -0.582 1.00 0.00 H new ATOM 405 N GLU A 26 -12.846 -13.709 5.700 1.00 0.00 N ATOM 406 CA GLU A 26 -13.478 -12.459 6.097 1.00 0.00 C ATOM 407 C GLU A 26 -12.660 -11.812 7.213 1.00 0.00 C ATOM 408 O GLU A 26 -12.445 -10.603 7.201 1.00 0.00 O ATOM 409 CB GLU A 26 -14.921 -12.714 6.562 1.00 0.00 C ATOM 410 CG GLU A 26 -15.815 -13.264 5.439 1.00 0.00 C ATOM 411 CD GLU A 26 -17.265 -13.461 5.918 1.00 0.00 C ATOM 412 OE1 GLU A 26 -17.576 -14.517 6.515 1.00 0.00 O ATOM 413 OE2 GLU A 26 -18.117 -12.575 5.684 1.00 0.00 O ATOM 0 H GLU A 26 -13.390 -14.539 5.936 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.513 -11.784 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.912 -13.420 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.347 -11.784 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.800 -12.578 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.415 -14.215 5.086 1.00 0.00 H new ATOM 420 N GLU A 27 -12.149 -12.611 8.154 1.00 0.00 N ATOM 421 CA GLU A 27 -11.329 -12.113 9.248 1.00 0.00 C ATOM 422 C GLU A 27 -9.994 -11.630 8.716 1.00 0.00 C ATOM 423 O GLU A 27 -9.519 -10.593 9.167 1.00 0.00 O ATOM 424 CB GLU A 27 -11.005 -13.208 10.258 1.00 0.00 C ATOM 425 CG GLU A 27 -12.211 -13.937 10.837 1.00 0.00 C ATOM 426 CD GLU A 27 -11.729 -15.086 11.721 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.691 -15.724 11.407 1.00 0.00 O ATOM 428 OE2 GLU A 27 -12.367 -15.364 12.762 1.00 0.00 O ATOM 0 H GLU A 27 -12.295 -13.620 8.174 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.899 -11.314 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.354 -13.940 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.439 -12.767 11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.823 -13.247 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.839 -14.320 10.033 1.00 0.00 H new ATOM 435 N ARG A 28 -9.373 -12.371 7.783 1.00 0.00 N ATOM 436 CA ARG A 28 -8.093 -11.929 7.214 1.00 0.00 C ATOM 437 C ARG A 28 -8.269 -10.533 6.621 1.00 0.00 C ATOM 438 O ARG A 28 -7.505 -9.624 6.947 1.00 0.00 O ATOM 439 CB ARG A 28 -7.548 -12.910 6.162 1.00 0.00 C ATOM 440 CG ARG A 28 -7.275 -14.321 6.705 1.00 0.00 C ATOM 441 CD ARG A 28 -6.564 -15.170 5.643 1.00 0.00 C ATOM 442 NE ARG A 28 -6.655 -16.606 5.944 1.00 0.00 N ATOM 443 CZ ARG A 28 -5.667 -17.506 6.019 1.00 0.00 C ATOM 444 NH1 ARG A 28 -4.403 -17.169 5.786 1.00 0.00 N ATOM 445 NH2 ARG A 28 -5.977 -18.754 6.347 1.00 0.00 N ATOM 0 H ARG A 28 -9.726 -13.255 7.416 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.354 -11.900 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.262 -12.980 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.624 -12.506 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.661 -14.260 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.213 -14.796 6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.005 -14.974 4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.516 -14.876 5.584 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.594 -16.963 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.168 -16.206 5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.668 -17.873 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.947 -19.006 6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.245 -19.461 6.412 1.00 0.00 H new ATOM 459 N ALA A 29 -9.310 -10.350 5.806 1.00 0.00 N ATOM 460 CA ALA A 29 -9.610 -9.074 5.182 1.00 0.00 C ATOM 461 C ALA A 29 -9.895 -7.988 6.226 1.00 0.00 C ATOM 462 O ALA A 29 -9.352 -6.889 6.126 1.00 0.00 O ATOM 463 CB ALA A 29 -10.798 -9.263 4.239 1.00 0.00 C ATOM 0 H ALA A 29 -9.968 -11.091 5.564 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.742 -8.736 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.038 -8.313 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.544 -9.999 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.661 -9.612 4.806 1.00 0.00 H new ATOM 469 N MET A 30 -10.717 -8.278 7.240 1.00 0.00 N ATOM 470 CA MET A 30 -11.048 -7.300 8.274 1.00 0.00 C ATOM 471 C MET A 30 -9.837 -6.939 9.133 1.00 0.00 C ATOM 472 O MET A 30 -9.682 -5.771 9.475 1.00 0.00 O ATOM 473 CB MET A 30 -12.227 -7.777 9.128 1.00 0.00 C ATOM 474 CG MET A 30 -13.561 -7.762 8.364 1.00 0.00 C ATOM 475 SD MET A 30 -14.172 -6.141 7.805 1.00 0.00 S ATOM 476 CE MET A 30 -13.449 -6.006 6.142 1.00 0.00 C ATOM 0 H MET A 30 -11.165 -9.186 7.364 1.00 0.00 H new ATOM 0 HA MET A 30 -11.355 -6.385 7.767 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.028 -8.789 9.482 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.311 -7.142 10.010 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.459 -8.406 7.490 1.00 0.00 H new ATOM 0 HG3 MET A 30 -14.323 -8.210 9.002 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.159 -5.516 5.475 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.532 -5.419 6.191 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.223 -7.002 5.762 1.00 0.00 H new ATOM 486 N GLY A 31 -8.949 -7.888 9.435 1.00 0.00 N ATOM 487 CA GLY A 31 -7.727 -7.630 10.181 1.00 0.00 C ATOM 488 C GLY A 31 -6.864 -6.606 9.450 1.00 0.00 C ATOM 489 O GLY A 31 -6.465 -5.599 10.040 1.00 0.00 O ATOM 0 H GLY A 31 -9.064 -8.865 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.972 -7.263 11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.170 -8.558 10.311 1.00 0.00 H new ATOM 493 N TRP A 32 -6.654 -6.816 8.144 1.00 0.00 N ATOM 494 CA TRP A 32 -5.981 -5.845 7.293 1.00 0.00 C ATOM 495 C TRP A 32 -6.708 -4.500 7.319 1.00 0.00 C ATOM 496 O TRP A 32 -6.082 -3.484 7.611 1.00 0.00 O ATOM 497 CB TRP A 32 -5.871 -6.382 5.861 1.00 0.00 C ATOM 498 CG TRP A 32 -4.755 -7.351 5.622 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.869 -8.668 5.338 1.00 0.00 C ATOM 500 CD2 TRP A 32 -3.330 -7.059 5.552 1.00 0.00 C ATOM 501 NE1 TRP A 32 -3.621 -9.205 5.098 1.00 0.00 N ATOM 502 CE2 TRP A 32 -2.640 -8.241 5.154 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.559 -5.890 5.720 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.267 -8.248 4.881 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.177 -5.892 5.466 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.535 -7.059 5.021 1.00 0.00 C ATOM 0 H TRP A 32 -6.947 -7.662 7.656 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.974 -5.685 7.679 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.812 -6.866 5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.748 -5.538 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.798 -9.217 5.304 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.447 -10.191 4.904 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.038 -4.980 6.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.777 -9.158 4.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.604 -4.989 5.614 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.519 -7.041 4.787 1.00 0.00 H new ATOM 517 N TYR A 33 -8.015 -4.485 7.049 1.00 0.00 N ATOM 518 CA TYR A 33 -8.799 -3.268 6.902 1.00 0.00 C ATOM 519 C TYR A 33 -8.758 -2.415 8.171 1.00 0.00 C ATOM 520 O TYR A 33 -8.505 -1.212 8.087 1.00 0.00 O ATOM 521 CB TYR A 33 -10.232 -3.672 6.533 1.00 0.00 C ATOM 522 CG TYR A 33 -11.285 -2.588 6.649 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.128 -1.355 5.991 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.427 -2.817 7.437 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.107 -0.356 6.123 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.404 -1.820 7.583 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.257 -0.585 6.914 1.00 0.00 C ATOM 528 OH TYR A 33 -14.217 0.374 7.047 1.00 0.00 O ATOM 0 H TYR A 33 -8.563 -5.336 6.925 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.377 -2.647 6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.231 -4.040 5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.527 -4.506 7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.253 -1.176 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.553 -3.768 7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.981 0.591 5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.268 -1.997 8.207 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.934 0.041 7.626 1.00 0.00 H new ATOM 538 N TYR A 34 -8.970 -3.021 9.343 1.00 0.00 N ATOM 539 CA TYR A 34 -9.019 -2.298 10.604 1.00 0.00 C ATOM 540 C TYR A 34 -7.646 -1.710 10.933 1.00 0.00 C ATOM 541 O TYR A 34 -7.563 -0.556 11.348 1.00 0.00 O ATOM 542 CB TYR A 34 -9.471 -3.232 11.739 1.00 0.00 C ATOM 543 CG TYR A 34 -10.858 -3.865 11.664 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.856 -3.424 10.766 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.150 -4.921 12.551 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.128 -4.025 10.769 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.418 -5.529 12.556 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.418 -5.079 11.665 1.00 0.00 C ATOM 549 OH TYR A 34 -14.656 -5.649 11.659 1.00 0.00 O ATOM 0 H TYR A 34 -9.112 -4.027 9.437 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.739 -1.485 10.507 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.743 -4.040 11.811 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.415 -2.669 12.671 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.641 -2.622 10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.390 -5.268 13.236 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.887 -3.679 10.083 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.627 -6.338 13.240 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.692 -6.359 12.333 1.00 0.00 H new ATOM 559 N TYR A 35 -6.567 -2.478 10.745 1.00 0.00 N ATOM 560 CA TYR A 35 -5.222 -2.021 11.071 1.00 0.00 C ATOM 561 C TYR A 35 -4.765 -0.933 10.096 1.00 0.00 C ATOM 562 O TYR A 35 -4.145 0.046 10.520 1.00 0.00 O ATOM 563 CB TYR A 35 -4.275 -3.228 11.032 1.00 0.00 C ATOM 564 CG TYR A 35 -2.868 -2.943 11.518 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.879 -2.512 10.613 1.00 0.00 C ATOM 566 CD2 TYR A 35 -2.541 -3.131 12.874 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.568 -2.268 11.058 1.00 0.00 C ATOM 568 CE2 TYR A 35 -1.232 -2.893 13.327 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.237 -2.461 12.420 1.00 0.00 C ATOM 570 OH TYR A 35 1.030 -2.235 12.870 1.00 0.00 O ATOM 0 H TYR A 35 -6.606 -3.424 10.366 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.214 -1.583 12.069 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.700 -4.026 11.640 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.223 -3.600 10.009 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.129 -2.368 9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.299 -3.460 13.569 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.186 -1.933 10.361 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.986 -3.040 14.368 1.00 0.00 H new ATOM 0 HH TYR A 35 1.073 -2.418 13.832 1.00 0.00 H new ATOM 580 N LEU A 36 -5.081 -1.070 8.802 1.00 0.00 N ATOM 581 CA LEU A 36 -4.733 -0.071 7.805 1.00 0.00 C ATOM 582 C LEU A 36 -5.502 1.204 8.083 1.00 0.00 C ATOM 583 O LEU A 36 -4.842 2.235 8.174 1.00 0.00 O ATOM 584 CB LEU A 36 -4.980 -0.563 6.370 1.00 0.00 C ATOM 585 CG LEU A 36 -3.702 -1.093 5.690 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.937 -2.134 6.516 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.090 -1.716 4.346 1.00 0.00 C ATOM 0 H LEU A 36 -5.582 -1.875 8.426 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.663 0.124 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.731 -1.353 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.389 0.254 5.776 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.032 -0.241 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.052 -2.455 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.635 -1.694 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.580 -2.994 6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.197 -2.097 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.789 -2.535 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.560 -0.960 3.717 1.00 0.00 H new ATOM 599 N ASP A 37 -6.828 1.157 8.303 1.00 0.00 N ATOM 600 CA ASP A 37 -7.544 2.358 8.739 1.00 0.00 C ATOM 601 C ASP A 37 -6.844 2.919 9.930 1.00 0.00 C ATOM 602 O ASP A 37 -6.562 4.119 9.926 1.00 0.00 O ATOM 603 CB ASP A 37 -9.012 2.155 9.173 1.00 0.00 C ATOM 604 CG ASP A 37 -9.687 3.396 9.865 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.131 4.098 10.761 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.866 3.641 9.529 1.00 0.00 O ATOM 0 H ASP A 37 -7.407 0.325 8.189 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.553 3.004 7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.599 1.886 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.057 1.309 9.858 1.00 0.00 H new ATOM 611 N ASP A 38 -6.548 2.100 10.948 1.00 0.00 N ATOM 612 CA ASP A 38 -6.117 2.757 12.149 1.00 0.00 C ATOM 613 C ASP A 38 -4.805 3.510 11.975 1.00 0.00 C ATOM 614 O ASP A 38 -4.677 4.618 12.500 1.00 0.00 O ATOM 615 CB ASP A 38 -6.233 1.983 13.452 1.00 0.00 C ATOM 616 CG ASP A 38 -6.345 3.047 14.580 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.888 4.164 14.334 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.902 2.766 15.717 1.00 0.00 O ATOM 0 H ASP A 38 -6.596 1.081 10.958 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.890 3.510 12.299 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.108 1.333 13.442 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.363 1.344 13.604 1.00 0.00 H new ATOM 623 N THR A 39 -3.942 2.999 11.100 1.00 0.00 N ATOM 624 CA THR A 39 -2.640 3.573 10.835 1.00 0.00 C ATOM 625 C THR A 39 -2.800 4.857 10.004 1.00 0.00 C ATOM 626 O THR A 39 -2.164 5.871 10.295 1.00 0.00 O ATOM 627 CB THR A 39 -1.802 2.500 10.119 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.734 1.313 10.887 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.384 2.998 9.874 1.00 0.00 C ATOM 0 H THR A 39 -4.138 2.162 10.551 1.00 0.00 H new ATOM 0 HA THR A 39 -2.128 3.862 11.753 1.00 0.00 H new ATOM 0 HB THR A 39 -2.290 2.291 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.580 0.824 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.191 2.223 9.367 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.415 3.893 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.088 3.235 10.827 1.00 0.00 H new ATOM 637 N LEU A 40 -3.662 4.821 8.986 1.00 0.00 N ATOM 638 CA LEU A 40 -3.994 5.968 8.152 1.00 0.00 C ATOM 639 C LEU A 40 -4.716 7.037 8.986 1.00 0.00 C ATOM 640 O LEU A 40 -5.541 6.729 9.856 1.00 0.00 O ATOM 641 CB LEU A 40 -4.907 5.528 6.989 1.00 0.00 C ATOM 642 CG LEU A 40 -4.324 4.460 6.038 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.450 3.805 5.230 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.295 5.011 5.055 1.00 0.00 C ATOM 0 H LEU A 40 -4.158 3.972 8.716 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.070 6.385 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.837 5.144 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.163 6.409 6.401 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.819 3.738 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.029 3.053 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.157 3.331 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.965 4.565 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.930 4.204 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.758 5.779 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.461 5.444 5.606 1.00 0.00 H new ATOM 656 N GLU A 41 -4.483 8.302 8.641 1.00 0.00 N ATOM 657 CA GLU A 41 -5.166 9.470 9.193 1.00 0.00 C ATOM 658 C GLU A 41 -5.715 10.304 8.023 1.00 0.00 C ATOM 659 O GLU A 41 -5.426 11.492 7.869 1.00 0.00 O ATOM 660 CB GLU A 41 -4.223 10.237 10.139 1.00 0.00 C ATOM 661 CG GLU A 41 -3.905 9.456 11.425 1.00 0.00 C ATOM 662 CD GLU A 41 -5.119 9.346 12.372 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.366 10.293 13.153 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.831 8.313 12.364 1.00 0.00 O ATOM 0 H GLU A 41 -3.785 8.551 7.941 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.018 9.186 9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.293 10.460 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.678 11.192 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.563 8.455 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.084 9.946 11.949 1.00 0.00 H new ATOM 671 N PHE A 42 -6.478 9.630 7.153 1.00 0.00 N ATOM 672 CA PHE A 42 -7.242 10.229 6.058 1.00 0.00 C ATOM 673 C PHE A 42 -8.253 11.281 6.570 1.00 0.00 C ATOM 674 O PHE A 42 -8.591 11.255 7.759 1.00 0.00 O ATOM 675 CB PHE A 42 -7.903 9.086 5.265 1.00 0.00 C ATOM 676 CG PHE A 42 -8.793 8.138 6.054 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.055 8.564 6.517 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.413 6.791 6.222 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.919 7.656 7.153 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.277 5.885 6.861 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.531 6.317 7.323 1.00 0.00 C ATOM 0 H PHE A 42 -6.582 8.616 7.196 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.581 10.784 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.498 9.526 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.116 8.500 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.359 9.592 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.454 6.454 5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.882 7.988 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.977 4.857 6.997 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.197 5.619 7.809 1.00 0.00 H new ATOM 691 N PRO A 43 -8.790 12.181 5.716 1.00 0.00 N ATOM 692 CA PRO A 43 -8.525 12.334 4.280 1.00 0.00 C ATOM 693 C PRO A 43 -7.088 12.787 3.997 1.00 0.00 C ATOM 694 O PRO A 43 -6.474 13.451 4.835 1.00 0.00 O ATOM 695 CB PRO A 43 -9.540 13.376 3.792 1.00 0.00 C ATOM 696 CG PRO A 43 -9.817 14.226 5.027 1.00 0.00 C ATOM 697 CD PRO A 43 -9.735 13.201 6.154 1.00 0.00 C ATOM 0 HA PRO A 43 -8.629 11.382 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.136 13.976 2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.449 12.904 3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.081 15.021 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.796 14.702 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.400 13.668 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.713 12.764 6.353 1.00 0.00 H new ATOM 705 N PHE A 44 -6.552 12.438 2.823 1.00 0.00 N ATOM 706 CA PHE A 44 -5.232 12.902 2.383 1.00 0.00 C ATOM 707 C PHE A 44 -5.191 12.975 0.856 1.00 0.00 C ATOM 708 O PHE A 44 -6.037 12.391 0.186 1.00 0.00 O ATOM 709 CB PHE A 44 -4.111 12.005 2.949 1.00 0.00 C ATOM 710 CG PHE A 44 -4.127 10.540 2.535 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.629 10.158 1.278 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.595 9.547 3.413 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.631 8.814 0.877 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.609 8.198 3.016 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.132 7.830 1.745 1.00 0.00 C ATOM 0 H PHE A 44 -7.019 11.828 2.153 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.059 13.904 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.153 12.431 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.157 12.051 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.238 10.911 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.945 9.821 4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.249 8.537 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.987 7.443 3.689 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.151 6.795 1.438 1.00 0.00 H new ATOM 725 N MET A 45 -4.219 13.684 0.283 1.00 0.00 N ATOM 726 CA MET A 45 -4.048 13.765 -1.166 1.00 0.00 C ATOM 727 C MET A 45 -3.167 12.603 -1.627 1.00 0.00 C ATOM 728 O MET A 45 -2.189 12.279 -0.953 1.00 0.00 O ATOM 729 CB MET A 45 -3.386 15.112 -1.489 1.00 0.00 C ATOM 730 CG MET A 45 -3.183 15.332 -2.989 1.00 0.00 C ATOM 731 SD MET A 45 -2.234 16.823 -3.373 1.00 0.00 S ATOM 732 CE MET A 45 -2.171 16.619 -5.167 1.00 0.00 C ATOM 0 H MET A 45 -3.528 14.218 0.811 1.00 0.00 H new ATOM 0 HA MET A 45 -5.006 13.698 -1.682 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.001 15.918 -1.089 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.421 15.167 -0.985 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.672 14.466 -3.410 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.157 15.395 -3.475 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.449 17.319 -5.588 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.870 15.599 -5.407 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.156 16.816 -5.590 1.00 0.00 H new ATOM 742 N GLY A 46 -3.437 12.013 -2.792 1.00 0.00 N ATOM 743 CA GLY A 46 -2.571 10.998 -3.368 1.00 0.00 C ATOM 744 C GLY A 46 -2.639 11.001 -4.886 1.00 0.00 C ATOM 745 O GLY A 46 -3.474 11.675 -5.492 1.00 0.00 O ATOM 0 H GLY A 46 -4.259 12.228 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.543 11.172 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.860 10.016 -2.992 1.00 0.00 H new ATOM 749 N LYS A 47 -1.735 10.251 -5.508 1.00 0.00 N ATOM 750 CA LYS A 47 -1.807 9.968 -6.936 1.00 0.00 C ATOM 751 C LYS A 47 -2.380 8.565 -7.070 1.00 0.00 C ATOM 752 O LYS A 47 -1.868 7.627 -6.455 1.00 0.00 O ATOM 753 CB LYS A 47 -0.415 10.053 -7.599 1.00 0.00 C ATOM 754 CG LYS A 47 -0.493 10.128 -9.138 1.00 0.00 C ATOM 755 CD LYS A 47 -0.920 11.516 -9.654 1.00 0.00 C ATOM 756 CE LYS A 47 0.202 12.565 -9.593 1.00 0.00 C ATOM 757 NZ LYS A 47 1.122 12.494 -10.757 1.00 0.00 N ATOM 0 H LYS A 47 -0.936 9.824 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.434 10.703 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.109 10.931 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.174 9.182 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.480 9.874 -9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.200 9.380 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.263 11.422 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.768 11.868 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.240 13.560 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.773 12.426 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.053 12.869 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.222 11.504 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.735 13.059 -11.540 1.00 0.00 H new ATOM 771 N TRP A 48 -3.447 8.422 -7.848 1.00 0.00 N ATOM 772 CA TRP A 48 -3.953 7.127 -8.250 1.00 0.00 C ATOM 773 C TRP A 48 -3.065 6.741 -9.431 1.00 0.00 C ATOM 774 O TRP A 48 -3.195 7.303 -10.519 1.00 0.00 O ATOM 775 CB TRP A 48 -5.443 7.229 -8.616 1.00 0.00 C ATOM 776 CG TRP A 48 -6.153 5.947 -8.949 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.603 4.713 -9.016 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.571 5.751 -9.244 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.555 3.786 -9.373 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.796 4.368 -9.522 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.698 6.602 -9.277 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.066 3.861 -9.836 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -9.983 6.101 -9.567 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.166 4.735 -9.852 1.00 0.00 C ATOM 0 H TRP A 48 -3.983 9.208 -8.216 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.913 6.370 -7.466 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.965 7.699 -7.782 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.537 7.900 -9.470 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.566 4.488 -8.818 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.366 2.793 -9.510 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.573 7.656 -9.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.196 2.813 -10.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.832 6.769 -9.571 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.152 4.359 -10.083 1.00 0.00 H new ATOM 795 N LYS A 49 -2.114 5.837 -9.205 1.00 0.00 N ATOM 796 CA LYS A 49 -1.188 5.307 -10.198 1.00 0.00 C ATOM 797 C LYS A 49 -1.808 4.009 -10.718 1.00 0.00 C ATOM 798 O LYS A 49 -1.320 2.911 -10.445 1.00 0.00 O ATOM 799 CB LYS A 49 0.197 5.114 -9.550 1.00 0.00 C ATOM 800 CG LYS A 49 0.895 6.467 -9.333 1.00 0.00 C ATOM 801 CD LYS A 49 2.179 6.386 -8.496 1.00 0.00 C ATOM 802 CE LYS A 49 3.215 5.405 -9.064 1.00 0.00 C ATOM 803 NZ LYS A 49 4.522 5.523 -8.372 1.00 0.00 N ATOM 0 H LYS A 49 -1.963 5.436 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.031 5.981 -11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.088 4.599 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.815 4.479 -10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.135 6.899 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.198 7.148 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.626 7.378 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.923 6.085 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.842 4.385 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.349 5.594 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.169 4.789 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.930 6.462 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.385 5.401 -7.348 1.00 0.00 H new ATOM 817 N LYS A 50 -2.959 4.157 -11.378 1.00 0.00 N ATOM 818 CA LYS A 50 -3.768 3.064 -11.907 1.00 0.00 C ATOM 819 C LYS A 50 -2.871 2.197 -12.779 1.00 0.00 C ATOM 820 O LYS A 50 -2.380 2.684 -13.795 1.00 0.00 O ATOM 821 CB LYS A 50 -4.949 3.650 -12.695 1.00 0.00 C ATOM 822 CG LYS A 50 -5.859 2.557 -13.276 1.00 0.00 C ATOM 823 CD LYS A 50 -6.981 3.200 -14.101 1.00 0.00 C ATOM 824 CE LYS A 50 -7.937 2.175 -14.728 1.00 0.00 C ATOM 825 NZ LYS A 50 -7.269 1.278 -15.704 1.00 0.00 N ATOM 0 H LYS A 50 -3.365 5.074 -11.564 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.181 2.446 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.534 4.298 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.570 4.273 -13.505 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.277 1.881 -13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.284 1.959 -12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.551 3.875 -13.463 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.539 3.806 -14.892 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.384 1.573 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.750 2.703 -15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.971 0.632 -16.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.835 1.847 -16.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.532 0.726 -15.220 1.00 0.00 H new ATOM 976 N GLU A 59 -0.986 4.565 -15.342 1.00 0.00 N ATOM 977 CA GLU A 59 -1.720 5.752 -15.723 1.00 0.00 C ATOM 978 C GLU A 59 -1.892 6.529 -14.415 1.00 0.00 C ATOM 979 O GLU A 59 -1.930 5.930 -13.338 1.00 0.00 O ATOM 980 CB GLU A 59 -3.049 5.322 -16.360 1.00 0.00 C ATOM 981 CG GLU A 59 -3.997 6.488 -16.655 1.00 0.00 C ATOM 982 CD GLU A 59 -3.448 7.466 -17.702 1.00 0.00 C ATOM 983 OE1 GLU A 59 -2.551 8.274 -17.374 1.00 0.00 O ATOM 984 OE2 GLU A 59 -3.955 7.440 -18.847 1.00 0.00 O ATOM 0 HA GLU A 59 -1.223 6.378 -16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.841 4.791 -17.289 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.549 4.618 -15.695 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.951 6.092 -17.003 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.194 7.030 -15.730 1.00 0.00 H new ATOM 991 N GLU A 60 -1.972 7.854 -14.483 1.00 0.00 N ATOM 992 CA GLU A 60 -1.920 8.707 -13.304 1.00 0.00 C ATOM 993 C GLU A 60 -3.118 9.649 -13.287 1.00 0.00 C ATOM 994 O GLU A 60 -3.428 10.289 -14.297 1.00 0.00 O ATOM 995 CB GLU A 60 -0.603 9.496 -13.287 1.00 0.00 C ATOM 996 CG GLU A 60 0.612 8.586 -13.061 1.00 0.00 C ATOM 997 CD GLU A 60 1.901 9.402 -12.871 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.014 10.129 -11.857 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.810 9.321 -13.729 1.00 0.00 O ATOM 0 H GLU A 60 -2.075 8.366 -15.359 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.961 8.086 -12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.487 10.027 -14.232 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.642 10.250 -12.500 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.442 7.963 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.728 7.914 -13.912 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.760 9.774 -12.122 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.789 10.776 -11.860 1.00 0.00 C ATOM 1008 C LYS A 61 -4.572 11.289 -10.441 1.00 0.00 C ATOM 1009 O LYS A 61 -4.297 10.498 -9.539 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.175 10.136 -12.061 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.322 11.149 -11.909 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.655 10.625 -12.468 1.00 0.00 C ATOM 1013 CE LYS A 61 -9.162 9.370 -11.739 1.00 0.00 C ATOM 1014 NZ LYS A 61 -10.425 8.856 -12.330 1.00 0.00 N ATOM 0 H LYS A 61 -3.573 9.169 -11.322 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.731 11.621 -12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.223 9.685 -13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.308 9.331 -11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.447 11.395 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.056 12.073 -12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.407 11.410 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.534 10.399 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.399 8.593 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.322 9.602 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.733 8.010 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.161 9.588 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.266 8.610 -13.328 1.00 0.00 H new ATOM 1028 N THR A 62 -4.650 12.597 -10.238 1.00 0.00 N ATOM 1029 CA THR A 62 -4.375 13.221 -8.951 1.00 0.00 C ATOM 1030 C THR A 62 -5.692 13.293 -8.181 1.00 0.00 C ATOM 1031 O THR A 62 -6.690 13.796 -8.707 1.00 0.00 O ATOM 1032 CB THR A 62 -3.725 14.588 -9.210 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.662 14.435 -10.137 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.143 15.176 -7.929 1.00 0.00 C ATOM 0 H THR A 62 -4.908 13.261 -10.968 1.00 0.00 H new ATOM 0 HA THR A 62 -3.674 12.653 -8.339 1.00 0.00 H new ATOM 0 HB THR A 62 -4.496 15.255 -9.597 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.247 15.307 -10.305 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.690 16.144 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.937 15.304 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.385 14.502 -7.531 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.720 12.789 -6.944 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.961 12.598 -6.212 1.00 0.00 C ATOM 1044 C VAL A 63 -6.810 13.008 -4.748 1.00 0.00 C ATOM 1045 O VAL A 63 -5.717 13.024 -4.181 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.440 11.129 -6.334 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.698 10.687 -7.784 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.476 10.106 -5.709 1.00 0.00 C ATOM 0 H VAL A 63 -4.885 12.506 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.719 13.244 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.376 11.135 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.030 9.649 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.469 11.319 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.778 10.779 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.880 9.101 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.506 10.171 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.358 10.319 -4.647 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.936 13.330 -4.130 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.067 13.525 -2.697 1.00 0.00 C ATOM 1060 C GLU A 64 -8.788 12.271 -2.214 1.00 0.00 C ATOM 1061 O GLU A 64 -9.889 11.983 -2.683 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.850 14.814 -2.400 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.989 15.042 -0.889 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.606 16.419 -0.580 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.846 16.571 -0.648 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.853 17.363 -0.247 1.00 0.00 O ATOM 0 H GLU A 64 -8.814 13.467 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.112 13.651 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.341 15.665 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.839 14.755 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.612 14.258 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.009 14.967 -0.417 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.159 11.482 -1.348 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.801 10.328 -0.740 1.00 0.00 C ATOM 1075 C VAL A 65 -9.654 10.841 0.411 1.00 0.00 C ATOM 1076 O VAL A 65 -9.203 11.680 1.197 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.811 9.215 -0.320 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -6.630 9.060 -1.297 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.281 9.274 1.115 1.00 0.00 C ATOM 0 H VAL A 65 -7.194 11.626 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.431 9.830 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.447 8.331 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.971 8.265 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.008 8.810 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.074 9.996 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.598 8.442 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.752 10.215 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.115 9.208 1.814 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.873 10.322 0.526 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.791 10.684 1.595 1.00 0.00 C ATOM 1091 C LEU A 66 -11.634 9.712 2.764 1.00 0.00 C ATOM 1092 O LEU A 66 -11.876 10.096 3.908 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.246 10.712 1.090 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.570 11.715 -0.041 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -12.933 13.095 0.171 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.176 11.195 -1.429 1.00 0.00 C ATOM 0 H LEU A 66 -11.252 9.634 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.547 11.689 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.505 9.712 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.896 10.933 1.937 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.654 11.824 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.200 13.750 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.297 13.524 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.849 12.992 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.427 11.942 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.104 11.001 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.717 10.272 -1.639 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.196 8.477 2.498 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.927 7.470 3.496 1.00 0.00 C ATOM 1110 C GLY A 67 -10.923 6.097 2.851 1.00 0.00 C ATOM 1111 O GLY A 67 -11.132 5.963 1.643 1.00 0.00 O ATOM 0 H GLY A 67 -11.017 8.153 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.964 7.662 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.682 7.511 4.281 1.00 0.00 H new ATOM 1115 N MET A 68 -10.671 5.075 3.661 1.00 0.00 N ATOM 1116 CA MET A 68 -10.847 3.688 3.241 1.00 0.00 C ATOM 1117 C MET A 68 -12.316 3.471 2.870 1.00 0.00 C ATOM 1118 O MET A 68 -13.216 4.061 3.478 1.00 0.00 O ATOM 1119 CB MET A 68 -10.425 2.713 4.353 1.00 0.00 C ATOM 1120 CG MET A 68 -8.916 2.704 4.637 1.00 0.00 C ATOM 1121 SD MET A 68 -7.875 1.885 3.392 1.00 0.00 S ATOM 1122 CE MET A 68 -8.258 0.140 3.716 1.00 0.00 C ATOM 0 H MET A 68 -10.341 5.182 4.620 1.00 0.00 H new ATOM 0 HA MET A 68 -10.212 3.492 2.377 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.955 2.972 5.269 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.738 1.706 4.077 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.580 3.736 4.741 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.750 2.217 5.598 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.628 -0.493 3.090 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.070 -0.085 4.766 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.306 -0.051 3.487 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.553 2.611 1.881 1.00 0.00 N ATOM 1133 CA ALA A 69 -13.888 2.142 1.541 1.00 0.00 C ATOM 1134 C ALA A 69 -14.481 1.366 2.734 1.00 0.00 C ATOM 1135 O ALA A 69 -13.721 0.880 3.580 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.790 1.270 0.284 1.00 0.00 C ATOM 0 H ALA A 69 -11.818 2.220 1.292 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.554 2.979 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.782 0.909 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.382 1.860 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.136 0.421 0.481 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.815 1.219 2.821 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.442 0.428 3.872 1.00 0.00 C ATOM 1144 C PRO A 70 -16.089 -1.057 3.730 1.00 0.00 C ATOM 1145 O PRO A 70 -15.612 -1.513 2.686 1.00 0.00 O ATOM 1146 CB PRO A 70 -17.948 0.686 3.735 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.117 1.037 2.259 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.826 1.787 1.939 1.00 0.00 C ATOM 0 HA PRO A 70 -16.089 0.711 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.532 -0.193 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.276 1.500 4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.230 0.146 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.997 1.657 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.549 1.661 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.941 2.857 2.112 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.406 -1.838 4.765 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.242 -3.293 4.785 1.00 0.00 C ATOM 1158 C ASP A 71 -16.941 -3.984 3.610 1.00 0.00 C ATOM 1159 O ASP A 71 -16.487 -5.036 3.172 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.740 -3.887 6.111 1.00 0.00 C ATOM 1161 CG ASP A 71 -18.273 -4.003 6.182 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.952 -2.961 6.320 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.805 -5.134 6.138 1.00 0.00 O ATOM 0 H ASP A 71 -16.793 -1.467 5.633 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.173 -3.480 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.300 -4.875 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.390 -3.265 6.935 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.987 -3.371 3.048 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.710 -3.882 1.881 1.00 0.00 C ATOM 1170 C ASP A 72 -17.810 -4.016 0.641 1.00 0.00 C ATOM 1171 O ASP A 72 -18.117 -4.787 -0.268 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.904 -2.969 1.580 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.773 -3.525 0.439 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -21.375 -4.611 0.602 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.917 -2.848 -0.604 1.00 0.00 O ATOM 0 H ASP A 72 -18.361 -2.489 3.398 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.061 -4.885 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.511 -2.856 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.544 -1.976 1.312 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.671 -3.316 0.624 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.615 -3.470 -0.371 1.00 0.00 C ATOM 1182 C GLU A 73 -14.375 -4.082 0.291 1.00 0.00 C ATOM 1183 O GLU A 73 -13.766 -5.002 -0.261 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.268 -2.100 -0.978 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.422 -1.410 -1.723 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.979 -2.214 -2.917 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -16.224 -2.945 -3.597 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -18.185 -2.076 -3.225 1.00 0.00 O ATOM 0 H GLU A 73 -16.456 -2.607 1.325 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.959 -4.131 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.925 -1.442 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.433 -2.226 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.232 -1.221 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.078 -0.440 -2.082 1.00 0.00 H new ATOM 1195 N CYS A 74 -14.021 -3.628 1.500 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.786 -4.016 2.175 1.00 0.00 C ATOM 1197 C CYS A 74 -12.765 -5.461 2.695 1.00 0.00 C ATOM 1198 O CYS A 74 -11.791 -5.876 3.319 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.421 -2.980 3.242 1.00 0.00 C ATOM 1200 SG CYS A 74 -11.925 -1.444 2.408 1.00 0.00 S ATOM 0 H CYS A 74 -14.592 -2.976 2.038 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.002 -4.018 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.271 -2.797 3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.609 -3.351 3.868 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.655 -0.460 2.842 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.817 -6.238 2.436 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.863 -7.682 2.663 1.00 0.00 C ATOM 1208 C LEU A 75 -13.178 -8.436 1.519 1.00 0.00 C ATOM 1209 O LEU A 75 -12.887 -9.623 1.671 1.00 0.00 O ATOM 1210 CB LEU A 75 -15.326 -8.154 2.767 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.908 -8.039 4.187 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -17.433 -8.143 4.122 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -15.365 -9.139 5.110 1.00 0.00 C ATOM 0 H LEU A 75 -14.686 -5.869 2.051 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.337 -7.893 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.939 -7.567 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.389 -9.192 2.440 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.610 -7.073 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.846 -8.062 5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.826 -7.338 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.714 -9.104 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.798 -9.026 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.631 -10.116 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.280 -9.057 5.175 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.937 -7.783 0.375 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.488 -8.444 -0.850 1.00 0.00 C ATOM 1227 C LYS A 76 -11.073 -8.010 -1.206 1.00 0.00 C ATOM 1228 O LYS A 76 -10.267 -8.852 -1.603 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.459 -8.137 -2.001 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.871 -8.688 -1.731 1.00 0.00 C ATOM 1231 CD LYS A 76 -15.857 -8.394 -2.870 1.00 0.00 C ATOM 1232 CE LYS A 76 -15.499 -9.147 -4.161 1.00 0.00 C ATOM 1233 NZ LYS A 76 -16.490 -8.912 -5.241 1.00 0.00 N ATOM 0 H LYS A 76 -13.050 -6.774 0.276 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.477 -9.521 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.514 -7.059 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.073 -8.568 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.812 -9.766 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.253 -8.256 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.863 -8.672 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.870 -7.322 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.512 -8.833 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.439 -10.215 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.208 -9.439 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.428 -9.236 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.530 -7.896 -5.461 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.756 -6.725 -1.045 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.427 -6.153 -1.290 1.00 0.00 C ATOM 1249 C ASP A 77 -9.385 -4.784 -0.604 1.00 0.00 C ATOM 1250 O ASP A 77 -10.436 -4.286 -0.204 1.00 0.00 O ATOM 1251 CB ASP A 77 -9.167 -6.019 -2.802 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.732 -5.591 -3.145 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.818 -5.804 -2.318 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.515 -5.093 -4.271 1.00 0.00 O ATOM 0 H ASP A 77 -11.435 -6.031 -0.731 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.649 -6.801 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.377 -6.974 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.863 -5.291 -3.219 1.00 0.00 H new ATOM 1259 N MET A 78 -8.216 -4.173 -0.414 1.00 0.00 N ATOM 1260 CA MET A 78 -8.133 -2.866 0.235 1.00 0.00 C ATOM 1261 C MET A 78 -8.453 -1.775 -0.788 1.00 0.00 C ATOM 1262 O MET A 78 -7.808 -1.688 -1.838 1.00 0.00 O ATOM 1263 CB MET A 78 -6.749 -2.645 0.858 1.00 0.00 C ATOM 1264 CG MET A 78 -6.431 -3.628 1.992 1.00 0.00 C ATOM 1265 SD MET A 78 -7.547 -3.613 3.430 1.00 0.00 S ATOM 1266 CE MET A 78 -8.548 -5.093 3.093 1.00 0.00 C ATOM 0 H MET A 78 -7.317 -4.561 -0.699 1.00 0.00 H new ATOM 0 HA MET A 78 -8.862 -2.824 1.044 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.990 -2.738 0.082 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.689 -1.627 1.242 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.426 -4.636 1.576 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.420 -3.424 2.345 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.119 -5.357 3.983 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.233 -4.889 2.270 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.893 -5.921 2.823 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.409 -0.905 -0.461 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.887 0.156 -1.340 1.00 0.00 C ATOM 1278 C TYR A 79 -10.058 1.451 -0.551 1.00 0.00 C ATOM 1279 O TYR A 79 -10.210 1.436 0.673 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.234 -0.230 -1.971 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.277 -1.441 -2.885 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.897 -1.334 -4.237 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.817 -2.651 -2.411 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.079 -2.419 -5.113 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -12.010 -3.738 -3.279 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.640 -3.627 -4.639 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.820 -4.668 -5.501 1.00 0.00 O ATOM 0 H TYR A 79 -9.881 -0.921 0.443 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.151 0.301 -2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.945 -0.398 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.594 0.628 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.464 -0.415 -4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.086 -2.745 -1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.790 -2.329 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.440 -4.657 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.214 -5.426 -5.021 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.079 2.568 -1.271 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.193 3.917 -0.743 1.00 0.00 C ATOM 1299 C VAL A 80 -11.188 4.664 -1.623 1.00 0.00 C ATOM 1300 O VAL A 80 -11.211 4.480 -2.841 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.812 4.614 -0.702 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.018 4.205 0.544 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -7.936 4.335 -1.936 1.00 0.00 C ATOM 0 H VAL A 80 -10.014 2.553 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.551 3.903 0.286 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.043 5.679 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.053 4.712 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.574 4.486 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.861 3.126 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.985 4.858 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.754 3.263 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.448 4.686 -2.832 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.029 5.486 -1.005 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.891 6.417 -1.718 1.00 0.00 C ATOM 1315 C GLU A 81 -12.031 7.624 -2.086 1.00 0.00 C ATOM 1316 O GLU A 81 -11.290 8.126 -1.235 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.075 6.842 -0.838 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.035 5.676 -0.569 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.281 6.139 0.207 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.232 6.231 1.454 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.331 6.400 -0.423 1.00 0.00 O ATOM 0 H GLU A 81 -12.131 5.524 0.009 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.308 5.952 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.702 7.231 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.616 7.653 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.340 5.228 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.519 4.902 -0.002 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.118 8.097 -3.330 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.250 9.151 -3.848 1.00 0.00 C ATOM 1330 C VAL A 82 -12.050 10.110 -4.732 1.00 0.00 C ATOM 1331 O VAL A 82 -12.998 9.690 -5.391 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.034 8.544 -4.591 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.238 7.545 -3.737 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.388 7.848 -5.916 1.00 0.00 C ATOM 0 H VAL A 82 -12.798 7.756 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.855 9.730 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.421 9.420 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.400 7.157 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.861 8.047 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.887 6.721 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.481 7.451 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.085 7.032 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.849 8.567 -6.593 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.659 11.381 -4.790 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.266 12.403 -5.630 1.00 0.00 C ATOM 1346 C ALA A 83 -11.171 12.968 -6.525 1.00 0.00 C ATOM 1347 O ALA A 83 -10.083 13.285 -6.043 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.873 13.505 -4.755 1.00 0.00 C ATOM 0 H ALA A 83 -10.883 11.737 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.068 11.983 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.325 14.266 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.635 13.075 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.091 13.958 -4.146 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.442 13.071 -7.824 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.483 13.614 -8.785 1.00 0.00 C ATOM 1356 C ASP A 84 -10.307 15.116 -8.565 1.00 0.00 C ATOM 1357 O ASP A 84 -11.275 15.873 -8.645 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.928 13.332 -10.224 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.151 14.211 -11.206 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.907 14.109 -11.250 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.794 15.039 -11.883 1.00 0.00 O ATOM 0 H ASP A 84 -12.328 12.782 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.524 13.121 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.767 12.281 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.997 13.521 -10.324 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.069 15.543 -8.308 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.717 16.951 -8.138 1.00 0.00 C ATOM 1368 C ILE A 85 -8.550 17.605 -9.524 1.00 0.00 C ATOM 1369 O ILE A 85 -8.750 18.813 -9.662 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.437 17.071 -7.268 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.609 16.390 -5.887 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.033 18.538 -7.029 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.325 16.348 -5.044 1.00 0.00 C ATOM 0 H ILE A 85 -8.274 14.911 -8.211 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.512 17.482 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.654 16.565 -7.833 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.381 16.918 -5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.965 15.371 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.133 18.572 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.839 19.022 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.841 19.059 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.530 15.856 -4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.555 15.794 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.978 17.365 -4.859 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.047 11.545 -6.728 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.241 10.595 -5.967 1.00 0.00 C ATOM 1459 C VAL A 92 -16.310 9.213 -6.634 1.00 0.00 C ATOM 1460 O VAL A 92 -17.296 8.859 -7.288 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.737 10.568 -4.497 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.831 9.747 -3.566 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.871 11.973 -3.877 1.00 0.00 C ATOM 0 HA VAL A 92 -15.194 10.899 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.718 10.097 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.234 9.769 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.788 8.716 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.828 10.173 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.222 11.885 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.901 12.470 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.585 12.559 -4.455 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.245 8.444 -6.436 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.967 7.138 -7.009 1.00 0.00 C ATOM 1475 C TYR A 93 -14.360 6.250 -5.914 1.00 0.00 C ATOM 1476 O TYR A 93 -14.166 6.685 -4.777 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.972 7.304 -8.175 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.412 8.257 -9.272 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.191 7.785 -10.344 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.036 9.614 -9.220 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.593 8.661 -11.368 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.441 10.498 -10.236 1.00 0.00 C ATOM 1483 CZ TYR A 93 -15.218 10.024 -11.319 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.588 10.878 -12.314 1.00 0.00 O ATOM 0 H TYR A 93 -14.492 8.747 -5.818 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.880 6.678 -7.387 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.021 7.653 -7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.790 6.325 -8.618 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.482 6.745 -10.381 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.436 9.976 -8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.188 8.293 -12.191 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.159 11.539 -10.189 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.246 11.775 -12.119 1.00 0.00 H new ATOM 1494 N THR A 94 -14.001 5.022 -6.280 1.00 0.00 N ATOM 1495 CA THR A 94 -13.277 4.091 -5.425 1.00 0.00 C ATOM 1496 C THR A 94 -12.055 3.613 -6.211 1.00 0.00 C ATOM 1497 O THR A 94 -12.153 3.343 -7.412 1.00 0.00 O ATOM 1498 CB THR A 94 -14.209 2.941 -4.993 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.433 3.443 -4.485 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.583 2.062 -3.907 1.00 0.00 C ATOM 0 H THR A 94 -14.212 4.640 -7.202 1.00 0.00 H new ATOM 0 HA THR A 94 -12.937 4.562 -4.503 1.00 0.00 H new ATOM 0 HB THR A 94 -14.379 2.343 -5.888 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.008 2.695 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.278 1.267 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.658 1.624 -4.282 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.366 2.669 -3.028 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.913 3.518 -5.531 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.641 3.079 -6.080 1.00 0.00 C ATOM 1510 C ALA A 95 -9.079 1.997 -5.164 1.00 0.00 C ATOM 1511 O ALA A 95 -9.385 1.962 -3.971 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.683 4.274 -6.168 1.00 0.00 C ATOM 0 H ALA A 95 -10.852 3.756 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.769 2.674 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.729 3.946 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.113 5.039 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.525 4.688 -5.172 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.250 1.107 -5.708 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.518 0.143 -4.903 1.00 0.00 C ATOM 1520 C LYS A 96 -6.460 0.924 -4.146 1.00 0.00 C ATOM 1521 O LYS A 96 -5.753 1.733 -4.750 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.849 -0.901 -5.808 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.851 -1.825 -6.519 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.171 -2.609 -7.651 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.033 -1.736 -8.911 1.00 0.00 C ATOM 1526 NZ LYS A 96 -5.902 -2.158 -9.770 1.00 0.00 N ATOM 0 H LYS A 96 -8.071 1.038 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.185 -0.384 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.245 -0.388 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.169 -1.507 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.284 -2.520 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.672 -1.234 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.186 -2.946 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.753 -3.501 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.959 -1.782 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.893 -0.696 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.840 -1.529 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.016 -2.105 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.055 -3.136 -10.090 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.281 0.632 -2.859 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.141 1.159 -2.108 1.00 0.00 C ATOM 1542 C LEU A 97 -3.836 0.704 -2.782 1.00 0.00 C ATOM 1543 O LEU A 97 -2.835 1.414 -2.759 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.211 0.687 -0.646 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.082 1.247 0.245 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.132 2.776 0.367 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.192 0.629 1.639 1.00 0.00 C ATOM 0 H LEU A 97 -6.907 0.037 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.168 2.249 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.173 0.981 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.172 -0.402 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.133 0.987 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.316 3.117 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.031 3.223 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.084 3.075 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.397 1.020 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.160 0.880 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.097 -0.454 1.565 1.00 0.00 H new ATOM 1559 N SER A 98 -3.877 -0.457 -3.441 1.00 0.00 N ATOM 1560 CA SER A 98 -2.798 -1.055 -4.216 1.00 0.00 C ATOM 1561 C SER A 98 -2.287 -0.164 -5.352 1.00 0.00 C ATOM 1562 O SER A 98 -1.140 -0.296 -5.780 1.00 0.00 O ATOM 1563 CB SER A 98 -3.359 -2.343 -4.816 1.00 0.00 C ATOM 1564 OG SER A 98 -4.060 -3.072 -3.819 1.00 0.00 O ATOM 0 H SER A 98 -4.717 -1.036 -3.445 1.00 0.00 H new ATOM 0 HA SER A 98 -1.948 -1.219 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.027 -2.108 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.549 -2.949 -5.221 1.00 0.00 H new ATOM 0 HG SER A 98 -5.024 -2.929 -3.926 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.139 0.743 -5.827 1.00 0.00 N ATOM 1571 CA ASP A 99 -2.896 1.607 -6.977 1.00 0.00 C ATOM 1572 C ASP A 99 -2.792 3.064 -6.513 1.00 0.00 C ATOM 1573 O ASP A 99 -2.780 3.969 -7.341 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.021 1.439 -8.019 1.00 0.00 C ATOM 1575 CG ASP A 99 -3.953 0.154 -8.850 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.874 -0.961 -8.286 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.108 0.246 -10.088 1.00 0.00 O ATOM 0 H ASP A 99 -4.053 0.901 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.955 1.324 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.980 1.468 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.998 2.293 -8.696 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.717 3.328 -5.208 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.647 4.672 -4.646 1.00 0.00 C ATOM 1584 C ILE A 100 -1.276 4.855 -4.015 1.00 0.00 C ATOM 1585 O ILE A 100 -0.696 3.939 -3.428 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.834 4.899 -3.674 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.066 5.324 -4.502 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.574 5.875 -2.507 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.218 6.823 -4.777 1.00 0.00 C ATOM 0 H ILE A 100 -2.703 2.595 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.751 5.438 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.004 3.949 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.031 4.803 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.961 4.979 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.471 5.956 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.751 5.502 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.316 6.857 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.119 6.995 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.294 7.360 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.349 7.182 -5.329 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.789 6.084 -4.123 1.00 0.00 N ATOM 1602 CA GLU A 101 0.440 6.539 -3.502 1.00 0.00 C ATOM 1603 C GLU A 101 0.123 7.888 -2.863 1.00 0.00 C ATOM 1604 O GLU A 101 -0.284 8.823 -3.555 1.00 0.00 O ATOM 1605 CB GLU A 101 1.548 6.610 -4.562 1.00 0.00 C ATOM 1606 CG GLU A 101 2.921 6.894 -3.939 1.00 0.00 C ATOM 1607 CD GLU A 101 4.024 6.940 -5.010 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.313 5.896 -5.637 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.620 8.019 -5.228 1.00 0.00 O ATOM 0 H GLU A 101 -1.256 6.812 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 101 0.807 5.861 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.586 5.669 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.309 7.390 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.891 7.844 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.156 6.123 -3.205 1.00 0.00 H new ATOM 1616 N ALA A 102 0.234 7.977 -1.537 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.096 9.192 -0.808 1.00 0.00 C ATOM 1618 C ALA A 102 0.967 10.260 -1.075 1.00 0.00 C ATOM 1619 O ALA A 102 2.152 9.949 -1.227 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.188 8.891 0.689 1.00 0.00 C ATOM 0 H ALA A 102 0.554 7.211 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.062 9.566 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.435 9.805 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.964 8.145 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.769 8.508 1.043 1.00 0.00 H new ATOM 1626 N ILE A 103 0.538 11.519 -1.075 1.00 0.00 N ATOM 1627 CA ILE A 103 1.379 12.685 -1.323 1.00 0.00 C ATOM 1628 C ILE A 103 1.421 13.514 -0.036 1.00 0.00 C ATOM 1629 O ILE A 103 0.379 13.829 0.542 1.00 0.00 O ATOM 1630 CB ILE A 103 0.825 13.486 -2.529 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.892 12.665 -3.840 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.584 14.812 -2.724 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.068 13.280 -4.979 1.00 0.00 C ATOM 0 H ILE A 103 -0.436 11.763 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 103 2.397 12.394 -1.584 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.218 13.703 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.932 12.581 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.535 11.653 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.169 15.347 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.483 15.424 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.639 14.604 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.157 12.658 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.979 13.339 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.440 14.281 -5.198 1.00 0.00 H new ATOM 1645 N ASP A 104 2.641 13.897 0.364 1.00 0.00 N ATOM 1646 CA ASP A 104 2.945 14.825 1.461 1.00 0.00 C ATOM 1647 C ASP A 104 2.166 14.517 2.752 1.00 0.00 C ATOM 1648 O ASP A 104 1.675 15.415 3.441 1.00 0.00 O ATOM 1649 CB ASP A 104 2.794 16.277 0.972 1.00 0.00 C ATOM 1650 CG ASP A 104 3.308 17.307 1.997 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.418 17.129 2.548 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.634 18.341 2.211 1.00 0.00 O ATOM 0 H ASP A 104 3.485 13.550 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 104 3.986 14.682 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.339 16.399 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.744 16.477 0.758 1.00 0.00 H new ATOM 1657 N VAL A 105 2.010 13.225 3.058 1.00 0.00 N ATOM 1658 CA VAL A 105 1.198 12.755 4.179 1.00 0.00 C ATOM 1659 C VAL A 105 2.084 12.481 5.409 1.00 0.00 C ATOM 1660 O VAL A 105 3.316 12.507 5.311 1.00 0.00 O ATOM 1661 CB VAL A 105 0.332 11.570 3.699 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.058 10.217 3.695 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.987 11.511 4.471 1.00 0.00 C ATOM 0 H VAL A 105 2.449 12.472 2.528 1.00 0.00 H new ATOM 0 HA VAL A 105 0.500 13.519 4.521 1.00 0.00 H new ATOM 0 HB VAL A 105 0.111 11.767 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.378 9.440 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.922 10.269 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.390 9.979 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.580 10.668 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.781 11.387 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.542 12.436 4.315 1.00 0.00 H new ATOM 1673 N ASP A 106 1.468 12.250 6.575 1.00 0.00 N ATOM 1674 CA ASP A 106 2.201 11.967 7.811 1.00 0.00 C ATOM 1675 C ASP A 106 2.830 10.574 7.756 1.00 0.00 C ATOM 1676 O ASP A 106 2.436 9.720 6.961 1.00 0.00 O ATOM 1677 CB ASP A 106 1.293 12.072 9.044 1.00 0.00 C ATOM 1678 CG ASP A 106 2.053 12.159 10.382 1.00 0.00 C ATOM 1679 OD1 ASP A 106 3.253 12.513 10.399 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.439 11.881 11.435 1.00 0.00 O ATOM 0 H ASP A 106 0.454 12.254 6.686 1.00 0.00 H new ATOM 0 HA ASP A 106 2.987 12.717 7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.659 12.953 8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.632 11.205 9.070 1.00 0.00 H new ATOM 1685 N ASP A 107 3.779 10.340 8.651 1.00 0.00 N ATOM 1686 CA ASP A 107 4.661 9.175 8.651 1.00 0.00 C ATOM 1687 C ASP A 107 3.890 7.861 8.724 1.00 0.00 C ATOM 1688 O ASP A 107 4.157 6.958 7.936 1.00 0.00 O ATOM 1689 CB ASP A 107 5.652 9.271 9.814 1.00 0.00 C ATOM 1690 CG ASP A 107 6.570 8.037 9.860 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.486 7.931 9.015 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.413 7.197 10.774 1.00 0.00 O ATOM 0 H ASP A 107 3.965 10.977 9.426 1.00 0.00 H new ATOM 0 HA ASP A 107 5.202 9.177 7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.255 10.173 9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.107 9.359 10.754 1.00 0.00 H new ATOM 1697 N ASP A 108 2.903 7.759 9.620 1.00 0.00 N ATOM 1698 CA ASP A 108 2.124 6.532 9.778 1.00 0.00 C ATOM 1699 C ASP A 108 1.282 6.281 8.529 1.00 0.00 C ATOM 1700 O ASP A 108 1.226 5.154 8.038 1.00 0.00 O ATOM 1701 CB ASP A 108 1.215 6.600 11.015 1.00 0.00 C ATOM 1702 CG ASP A 108 1.977 6.334 12.321 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.330 5.165 12.596 1.00 0.00 O ATOM 1704 OD2 ASP A 108 2.209 7.289 13.097 1.00 0.00 O ATOM 0 H ASP A 108 2.626 8.514 10.247 1.00 0.00 H new ATOM 0 HA ASP A 108 2.823 5.708 9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.748 7.584 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.412 5.870 10.912 1.00 0.00 H new ATOM 1709 N THR A 109 0.659 7.324 7.973 1.00 0.00 N ATOM 1710 CA THR A 109 -0.166 7.177 6.781 1.00 0.00 C ATOM 1711 C THR A 109 0.719 6.735 5.606 1.00 0.00 C ATOM 1712 O THR A 109 0.349 5.816 4.875 1.00 0.00 O ATOM 1713 CB THR A 109 -0.941 8.482 6.515 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.675 8.855 7.672 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.992 8.347 5.416 1.00 0.00 C ATOM 0 H THR A 109 0.713 8.277 8.333 1.00 0.00 H new ATOM 0 HA THR A 109 -0.918 6.401 6.922 1.00 0.00 H new ATOM 0 HB THR A 109 -0.182 9.209 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.163 9.686 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.500 9.301 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.508 8.057 4.483 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.719 7.586 5.699 1.00 0.00 H new ATOM 1723 N GLN A 110 1.915 7.316 5.460 1.00 0.00 N ATOM 1724 CA GLN A 110 2.856 6.922 4.422 1.00 0.00 C ATOM 1725 C GLN A 110 3.263 5.458 4.628 1.00 0.00 C ATOM 1726 O GLN A 110 3.259 4.685 3.672 1.00 0.00 O ATOM 1727 CB GLN A 110 4.064 7.879 4.432 1.00 0.00 C ATOM 1728 CG GLN A 110 4.803 7.947 3.085 1.00 0.00 C ATOM 1729 CD GLN A 110 5.475 6.631 2.684 1.00 0.00 C ATOM 1730 OE1 GLN A 110 6.382 6.145 3.355 1.00 0.00 O ATOM 1731 NE2 GLN A 110 5.047 6.027 1.586 1.00 0.00 N ATOM 0 H GLN A 110 2.251 8.070 6.059 1.00 0.00 H new ATOM 0 HA GLN A 110 2.392 6.995 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.723 8.879 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.763 7.561 5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.096 8.235 2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.559 8.730 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.293 6.441 1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.471 5.148 1.289 1.00 0.00 H new ATOM 1740 N GLU A 111 3.559 5.053 5.864 1.00 0.00 N ATOM 1741 CA GLU A 111 3.964 3.689 6.175 1.00 0.00 C ATOM 1742 C GLU A 111 2.879 2.684 5.815 1.00 0.00 C ATOM 1743 O GLU A 111 3.217 1.612 5.330 1.00 0.00 O ATOM 1744 CB GLU A 111 4.346 3.558 7.656 1.00 0.00 C ATOM 1745 CG GLU A 111 5.754 4.096 7.926 1.00 0.00 C ATOM 1746 CD GLU A 111 6.840 3.034 7.667 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.118 2.683 6.498 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.431 2.519 8.642 1.00 0.00 O ATOM 0 H GLU A 111 3.523 5.667 6.678 1.00 0.00 H new ATOM 0 HA GLU A 111 4.840 3.464 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.625 4.101 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.293 2.511 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.938 4.964 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.820 4.436 8.959 1.00 0.00 H new ATOM 1755 N ALA A 112 1.596 3.007 5.989 1.00 0.00 N ATOM 1756 CA ALA A 112 0.508 2.132 5.564 1.00 0.00 C ATOM 1757 C ALA A 112 0.482 1.952 4.039 1.00 0.00 C ATOM 1758 O ALA A 112 0.248 0.842 3.560 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.822 2.696 6.057 1.00 0.00 C ATOM 0 H ALA A 112 1.286 3.876 6.425 1.00 0.00 H new ATOM 0 HA ALA A 112 0.673 1.148 6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.634 2.042 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.810 2.758 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.973 3.691 5.639 1.00 0.00 H new ATOM 1765 N ILE A 113 0.729 3.018 3.267 1.00 0.00 N ATOM 1766 CA ILE A 113 0.832 2.921 1.812 1.00 0.00 C ATOM 1767 C ILE A 113 2.038 2.050 1.456 1.00 0.00 C ATOM 1768 O ILE A 113 1.887 1.106 0.682 1.00 0.00 O ATOM 1769 CB ILE A 113 0.873 4.336 1.176 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.552 4.871 0.919 1.00 0.00 C ATOM 1771 CG2 ILE A 113 1.595 4.429 -0.171 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.131 5.529 2.157 1.00 0.00 C ATOM 0 H ILE A 113 0.861 3.961 3.632 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.050 2.437 1.394 1.00 0.00 H new ATOM 0 HB ILE A 113 1.426 4.920 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.529 5.590 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.198 4.051 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.567 5.458 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.632 4.115 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.101 3.780 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.135 5.894 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.177 4.802 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.498 6.365 2.455 1.00 0.00 H new ATOM 1784 N ALA A 114 3.214 2.326 2.031 1.00 0.00 N ATOM 1785 CA ALA A 114 4.426 1.567 1.744 1.00 0.00 C ATOM 1786 C ALA A 114 4.218 0.090 2.086 1.00 0.00 C ATOM 1787 O ALA A 114 4.534 -0.783 1.284 1.00 0.00 O ATOM 1788 CB ALA A 114 5.602 2.151 2.534 1.00 0.00 C ATOM 0 H ALA A 114 3.347 3.080 2.705 1.00 0.00 H new ATOM 0 HA ALA A 114 4.653 1.639 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.505 1.581 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.752 3.192 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.386 2.096 3.601 1.00 0.00 H new ATOM 1794 N ASP A 115 3.626 -0.173 3.250 1.00 0.00 N ATOM 1795 CA ASP A 115 3.307 -1.504 3.749 1.00 0.00 C ATOM 1796 C ASP A 115 2.440 -2.277 2.761 1.00 0.00 C ATOM 1797 O ASP A 115 2.767 -3.415 2.409 1.00 0.00 O ATOM 1798 CB ASP A 115 2.606 -1.396 5.106 1.00 0.00 C ATOM 1799 CG ASP A 115 2.047 -2.747 5.556 1.00 0.00 C ATOM 1800 OD1 ASP A 115 2.817 -3.526 6.160 1.00 0.00 O ATOM 1801 OD2 ASP A 115 0.842 -2.994 5.345 1.00 0.00 O ATOM 0 H ASP A 115 3.346 0.566 3.894 1.00 0.00 H new ATOM 0 HA ASP A 115 4.240 -2.055 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.309 -1.025 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.796 -0.669 5.042 1.00 0.00 H new ATOM 1806 N TRP A 116 1.365 -1.656 2.269 1.00 0.00 N ATOM 1807 CA TRP A 116 0.472 -2.319 1.344 1.00 0.00 C ATOM 1808 C TRP A 116 1.137 -2.500 -0.023 1.00 0.00 C ATOM 1809 O TRP A 116 0.933 -3.528 -0.666 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.846 -1.551 1.249 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.914 -2.336 0.564 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.439 -2.059 -0.645 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.525 -3.593 0.985 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.332 -3.047 -1.006 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.442 -4.011 -0.025 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.376 -4.436 2.107 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.203 -5.183 0.104 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.106 -5.632 2.217 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.028 -6.003 1.227 1.00 0.00 C ATOM 0 H TRP A 116 1.101 -0.698 2.501 1.00 0.00 H new ATOM 0 HA TRP A 116 0.248 -3.318 1.718 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.181 -1.285 2.251 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.682 -0.618 0.709 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -2.197 -1.193 -1.243 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.846 -3.063 -1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.690 -4.158 2.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.920 -5.452 -0.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.955 -6.273 3.073 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.599 -6.914 1.329 1.00 0.00 H new ATOM 1830 N LEU A 117 1.974 -1.553 -0.461 1.00 0.00 N ATOM 1831 CA LEU A 117 2.733 -1.688 -1.699 1.00 0.00 C ATOM 1832 C LEU A 117 3.737 -2.839 -1.597 1.00 0.00 C ATOM 1833 O LEU A 117 3.895 -3.566 -2.579 1.00 0.00 O ATOM 1834 CB LEU A 117 3.438 -0.369 -2.059 1.00 0.00 C ATOM 1835 CG LEU A 117 2.477 0.737 -2.543 1.00 0.00 C ATOM 1836 CD1 LEU A 117 3.216 2.079 -2.578 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.896 0.440 -3.931 1.00 0.00 C ATOM 0 H LEU A 117 2.141 -0.677 0.034 1.00 0.00 H new ATOM 0 HA LEU A 117 2.034 -1.921 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.982 -0.008 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.176 -0.563 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 117 1.645 0.777 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.537 2.860 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.575 2.323 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.063 2.010 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.226 1.248 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.707 0.358 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.341 -0.498 -3.900 1.00 0.00 H new ATOM 1849 N TYR A 118 4.371 -3.066 -0.437 1.00 0.00 N ATOM 1850 CA TYR A 118 5.232 -4.233 -0.262 1.00 0.00 C ATOM 1851 C TYR A 118 4.408 -5.507 -0.423 1.00 0.00 C ATOM 1852 O TYR A 118 4.852 -6.423 -1.102 1.00 0.00 O ATOM 1853 CB TYR A 118 5.935 -4.284 1.104 1.00 0.00 C ATOM 1854 CG TYR A 118 6.722 -3.069 1.559 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.600 -2.378 0.700 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.594 -2.659 2.896 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.330 -1.272 1.180 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.285 -1.536 3.373 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.174 -0.847 2.522 1.00 0.00 C ATOM 1860 OH TYR A 118 8.886 0.201 3.025 1.00 0.00 O ATOM 0 H TYR A 118 4.302 -2.462 0.382 1.00 0.00 H new ATOM 0 HA TYR A 118 6.006 -4.153 -1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.177 -4.490 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.615 -5.135 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.713 -2.696 -0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 118 5.955 -3.216 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 118 9.009 -0.748 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.137 -1.200 4.389 1.00 0.00 H new ATOM 0 HH TYR A 118 8.641 0.343 3.963 1.00 0.00 H new ATOM 1870 N TRP A 119 3.214 -5.579 0.172 1.00 0.00 N ATOM 1871 CA TRP A 119 2.359 -6.757 0.086 1.00 0.00 C ATOM 1872 C TRP A 119 1.848 -6.978 -1.345 1.00 0.00 C ATOM 1873 O TRP A 119 1.742 -8.120 -1.801 1.00 0.00 O ATOM 1874 CB TRP A 119 1.217 -6.596 1.089 1.00 0.00 C ATOM 1875 CG TRP A 119 0.136 -7.621 1.002 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.987 -7.483 0.268 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.039 -8.934 1.634 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.799 -8.582 0.446 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.231 -9.498 1.306 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.889 -9.702 2.461 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.663 -10.727 1.828 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.473 -10.944 2.977 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.809 -11.444 2.681 1.00 0.00 C ATOM 0 H TRP A 119 2.817 -4.820 0.726 1.00 0.00 H new ATOM 0 HA TRP A 119 2.932 -7.650 0.337 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.635 -6.619 2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.772 -5.611 0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.216 -6.638 -0.364 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.707 -8.703 -0.003 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.874 -9.330 2.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.639 -11.116 1.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.141 -11.516 3.603 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.136 -12.380 3.110 1.00 0.00 H new ATOM 1894 N LEU A 120 1.573 -5.901 -2.086 1.00 0.00 N ATOM 1895 CA LEU A 120 1.210 -5.976 -3.494 1.00 0.00 C ATOM 1896 C LEU A 120 2.377 -6.604 -4.267 1.00 0.00 C ATOM 1897 O LEU A 120 2.189 -7.605 -4.959 1.00 0.00 O ATOM 1898 CB LEU A 120 0.833 -4.560 -3.983 1.00 0.00 C ATOM 1899 CG LEU A 120 0.048 -4.434 -5.305 1.00 0.00 C ATOM 1900 CD1 LEU A 120 0.825 -4.893 -6.540 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -1.310 -5.144 -5.252 1.00 0.00 C ATOM 0 H LEU A 120 1.598 -4.950 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 120 0.340 -6.611 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.246 -4.082 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.754 -3.986 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.118 -3.362 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.203 -4.772 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.728 -4.292 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.098 -5.942 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.821 -5.024 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.158 -6.205 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.918 -4.708 -4.459 1.00 0.00 H new ATOM 1913 N ALA A 121 3.597 -6.084 -4.076 1.00 0.00 N ATOM 1914 CA ALA A 121 4.809 -6.610 -4.701 1.00 0.00 C ATOM 1915 C ALA A 121 5.102 -8.058 -4.278 1.00 0.00 C ATOM 1916 O ALA A 121 5.575 -8.851 -5.090 1.00 0.00 O ATOM 1917 CB ALA A 121 5.996 -5.707 -4.348 1.00 0.00 C ATOM 0 H ALA A 121 3.768 -5.277 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 121 4.652 -6.618 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.901 -6.097 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.807 -4.698 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.126 -5.683 -3.266 1.00 0.00 H new ATOM 1923 N ARG A 122 4.804 -8.412 -3.022 1.00 0.00 N ATOM 1924 CA ARG A 122 4.970 -9.751 -2.449 1.00 0.00 C ATOM 1925 C ARG A 122 4.142 -10.795 -3.200 1.00 0.00 C ATOM 1926 O ARG A 122 4.481 -11.977 -3.124 1.00 0.00 O ATOM 1927 CB ARG A 122 4.605 -9.693 -0.950 1.00 0.00 C ATOM 1928 CG ARG A 122 4.808 -10.958 -0.104 1.00 0.00 C ATOM 1929 CD ARG A 122 6.264 -11.420 -0.033 1.00 0.00 C ATOM 1930 NE ARG A 122 6.622 -12.308 -1.150 1.00 0.00 N ATOM 1931 CZ ARG A 122 7.761 -13.005 -1.229 1.00 0.00 C ATOM 1932 NH1 ARG A 122 8.700 -12.873 -0.295 1.00 0.00 N ATOM 1933 NH2 ARG A 122 7.954 -13.830 -2.253 1.00 0.00 N ATOM 0 H ARG A 122 4.425 -7.745 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 122 6.009 -10.064 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.188 -8.892 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.556 -9.406 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.445 -10.771 0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.200 -11.763 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.920 -10.550 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.433 -11.940 0.910 1.00 0.00 H new ATOM 0 HE ARG A 122 5.956 -12.398 -1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.554 -12.237 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 122 9.566 -13.408 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.236 -13.928 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.820 -14.365 -2.321 1.00 0.00 H new