USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 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 -176:sc= -0.0102 (180deg=-0.0151) USER MOD Set 1.2: A 74 CYS SG : rot 120:sc= 0.408 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 168:sc= 2.06 (180deg=1.08) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.791 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.22 (180deg=1.13) USER MOD Single : A 30 MET CE :methyl 142:sc= -0.923 (180deg=-3.36!) 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 94:sc= 1.28 USER MOD Single : A 45 MET CE :methyl -175:sc= -0.203 (180deg=-0.251) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 1.3 (180deg=0.945) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00567) USER MOD Single : A 61 LYS NZ :NH3+ -126:sc= 1.04 (180deg=-0.0263) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -147:sc= -0.0149 (180deg=-0.157) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.737 USER MOD Single : A 109 THR OG1 : rot 80:sc= 0.52 USER MOD Single : A 110 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.34) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ILE A 14 -6.829 8.320 -4.782 1.00 0.00 N ATOM 218 CA ILE A 14 -6.580 8.388 -6.219 1.00 0.00 C ATOM 219 C ILE A 14 -7.540 7.442 -6.941 1.00 0.00 C ATOM 220 O ILE A 14 -8.221 7.858 -7.880 1.00 0.00 O ATOM 221 CB ILE A 14 -5.088 8.073 -6.491 1.00 0.00 C ATOM 222 CG1 ILE A 14 -4.219 9.298 -6.151 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.799 7.631 -7.937 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.788 8.911 -5.788 1.00 0.00 C ATOM 0 HA ILE A 14 -6.770 9.389 -6.607 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.838 7.230 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.204 9.978 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.669 9.840 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.734 7.428 -8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.366 6.727 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.092 8.424 -8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.216 9.809 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.798 8.253 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.327 8.393 -6.629 1.00 0.00 H new ATOM 236 N GLU A 15 -7.623 6.194 -6.483 1.00 0.00 N ATOM 237 CA GLU A 15 -8.419 5.148 -7.104 1.00 0.00 C ATOM 238 C GLU A 15 -9.902 5.530 -7.181 1.00 0.00 C ATOM 239 O GLU A 15 -10.565 5.175 -8.155 1.00 0.00 O ATOM 240 CB GLU A 15 -8.198 3.848 -6.311 1.00 0.00 C ATOM 241 CG GLU A 15 -9.116 2.705 -6.754 1.00 0.00 C ATOM 242 CD GLU A 15 -8.740 1.378 -6.072 1.00 0.00 C ATOM 243 OE1 GLU A 15 -9.229 1.100 -4.954 1.00 0.00 O ATOM 244 OE2 GLU A 15 -7.971 0.584 -6.661 1.00 0.00 O ATOM 0 H GLU A 15 -7.125 5.879 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.100 5.005 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.160 3.535 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.360 4.045 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.150 2.956 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.056 2.588 -7.836 1.00 0.00 H new ATOM 251 N THR A 16 -10.417 6.259 -6.188 1.00 0.00 N ATOM 252 CA THR A 16 -11.848 6.542 -6.072 1.00 0.00 C ATOM 253 C THR A 16 -12.221 7.980 -6.475 1.00 0.00 C ATOM 254 O THR A 16 -13.409 8.260 -6.649 1.00 0.00 O ATOM 255 CB THR A 16 -12.345 6.148 -4.668 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.576 6.735 -3.634 1.00 0.00 O ATOM 257 CG2 THR A 16 -12.313 4.631 -4.457 1.00 0.00 C ATOM 0 H THR A 16 -9.854 6.669 -5.443 1.00 0.00 H new ATOM 0 HA THR A 16 -12.375 5.924 -6.799 1.00 0.00 H new ATOM 0 HB THR A 16 -13.369 6.518 -4.618 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.931 6.457 -2.764 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.671 4.395 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.954 4.148 -5.194 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.291 4.269 -4.572 1.00 0.00 H new ATOM 265 N GLU A 17 -11.244 8.877 -6.681 1.00 0.00 N ATOM 266 CA GLU A 17 -11.516 10.302 -6.918 1.00 0.00 C ATOM 267 C GLU A 17 -10.715 10.911 -8.079 1.00 0.00 C ATOM 268 O GLU A 17 -11.085 11.990 -8.544 1.00 0.00 O ATOM 269 CB GLU A 17 -11.275 11.120 -5.633 1.00 0.00 C ATOM 270 CG GLU A 17 -12.166 10.697 -4.455 1.00 0.00 C ATOM 271 CD GLU A 17 -11.961 11.609 -3.234 1.00 0.00 C ATOM 272 OE1 GLU A 17 -12.527 12.726 -3.197 1.00 0.00 O ATOM 273 OE2 GLU A 17 -11.261 11.194 -2.282 1.00 0.00 O ATOM 0 H GLU A 17 -10.253 8.637 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.565 10.354 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.230 11.021 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.447 12.175 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.212 10.726 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.943 9.666 -4.181 1.00 0.00 H new ATOM 280 N ILE A 18 -9.651 10.259 -8.572 1.00 0.00 N ATOM 281 CA ILE A 18 -8.737 10.853 -9.561 1.00 0.00 C ATOM 282 C ILE A 18 -8.680 9.984 -10.821 1.00 0.00 C ATOM 283 O ILE A 18 -8.792 10.519 -11.923 1.00 0.00 O ATOM 284 CB ILE A 18 -7.349 11.129 -8.922 1.00 0.00 C ATOM 285 CG1 ILE A 18 -7.520 12.057 -7.690 1.00 0.00 C ATOM 286 CG2 ILE A 18 -6.368 11.739 -9.942 1.00 0.00 C ATOM 287 CD1 ILE A 18 -6.230 12.516 -7.004 1.00 0.00 C ATOM 0 H ILE A 18 -9.400 9.309 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.117 11.824 -9.880 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.922 10.180 -8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.075 12.942 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.134 11.539 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.407 11.919 -9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.233 11.049 -10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.769 12.682 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.476 13.158 -6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.677 11.646 -6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.617 13.071 -7.715 1.00 0.00 H new ATOM 299 N ILE A 19 -8.585 8.656 -10.686 1.00 0.00 N ATOM 300 CA ILE A 19 -8.515 7.724 -11.817 1.00 0.00 C ATOM 301 C ILE A 19 -9.683 6.726 -11.810 1.00 0.00 C ATOM 302 O ILE A 19 -9.646 5.723 -12.517 1.00 0.00 O ATOM 303 CB ILE A 19 -7.132 7.064 -11.891 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.877 6.218 -10.634 1.00 0.00 C ATOM 305 CG2 ILE A 19 -6.047 8.128 -12.151 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.547 5.495 -10.727 1.00 0.00 C ATOM 0 H ILE A 19 -8.554 8.193 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.634 8.289 -12.741 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.094 6.375 -12.735 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.886 6.858 -9.752 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.681 5.493 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.070 7.647 -12.201 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.252 8.633 -13.095 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.051 8.857 -11.341 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.391 4.903 -9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.550 4.837 -11.596 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.743 6.224 -10.827 1.00 0.00 H new ATOM 318 N VAL A 20 -10.731 7.000 -11.032 1.00 0.00 N ATOM 319 CA VAL A 20 -11.926 6.159 -10.944 1.00 0.00 C ATOM 320 C VAL A 20 -12.562 5.910 -12.324 1.00 0.00 C ATOM 321 O VAL A 20 -13.087 4.824 -12.576 1.00 0.00 O ATOM 322 CB VAL A 20 -12.891 6.784 -9.914 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.498 8.125 -10.362 1.00 0.00 C ATOM 324 CG2 VAL A 20 -14.006 5.817 -9.498 1.00 0.00 C ATOM 0 H VAL A 20 -10.774 7.826 -10.435 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.656 5.163 -10.592 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.264 6.991 -9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.164 8.500 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.699 8.846 -10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.061 7.980 -11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.658 6.304 -8.773 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.587 5.533 -10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.566 4.926 -9.050 1.00 0.00 H new ATOM 334 N ASP A 21 -12.484 6.892 -13.231 1.00 0.00 N ATOM 335 CA ASP A 21 -13.055 6.810 -14.578 1.00 0.00 C ATOM 336 C ASP A 21 -12.057 6.229 -15.597 1.00 0.00 C ATOM 337 O ASP A 21 -12.422 5.972 -16.746 1.00 0.00 O ATOM 338 CB ASP A 21 -13.506 8.215 -15.004 1.00 0.00 C ATOM 339 CG ASP A 21 -14.249 8.215 -16.353 1.00 0.00 C ATOM 340 OD1 ASP A 21 -15.330 7.591 -16.455 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.793 8.894 -17.300 1.00 0.00 O ATOM 0 H ASP A 21 -12.015 7.778 -13.045 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.907 6.130 -14.555 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.156 8.632 -14.235 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.635 8.867 -15.073 1.00 0.00 H new ATOM 346 N ALA A 22 -10.793 6.035 -15.199 1.00 0.00 N ATOM 347 CA ALA A 22 -9.732 5.559 -16.080 1.00 0.00 C ATOM 348 C ALA A 22 -9.853 4.048 -16.344 1.00 0.00 C ATOM 349 O ALA A 22 -10.665 3.352 -15.728 1.00 0.00 O ATOM 350 CB ALA A 22 -8.362 5.916 -15.485 1.00 0.00 C ATOM 0 H ALA A 22 -10.480 6.208 -14.244 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.833 6.057 -17.044 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.573 5.558 -16.147 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.283 6.998 -15.378 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.256 5.446 -14.507 1.00 0.00 H new ATOM 356 N GLU A 23 -9.014 3.533 -17.250 1.00 0.00 N ATOM 357 CA GLU A 23 -9.011 2.129 -17.665 1.00 0.00 C ATOM 358 C GLU A 23 -7.598 1.701 -18.087 1.00 0.00 C ATOM 359 O GLU A 23 -7.132 0.629 -17.698 1.00 0.00 O ATOM 360 CB GLU A 23 -10.012 1.957 -18.825 1.00 0.00 C ATOM 361 CG GLU A 23 -10.251 0.497 -19.240 1.00 0.00 C ATOM 362 CD GLU A 23 -10.990 -0.312 -18.156 1.00 0.00 C ATOM 363 OE1 GLU A 23 -12.241 -0.284 -18.116 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.332 -1.009 -17.351 1.00 0.00 O ATOM 0 H GLU A 23 -8.305 4.093 -17.723 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.312 1.493 -16.833 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.965 2.402 -18.537 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.649 2.514 -19.689 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.830 0.475 -20.163 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.293 0.022 -19.454 1.00 0.00 H new ATOM 371 N ASP A 24 -6.869 2.566 -18.800 1.00 0.00 N ATOM 372 CA ASP A 24 -5.504 2.317 -19.274 1.00 0.00 C ATOM 373 C ASP A 24 -4.646 3.542 -18.955 1.00 0.00 C ATOM 374 O ASP A 24 -5.163 4.571 -18.518 1.00 0.00 O ATOM 375 CB ASP A 24 -5.519 2.008 -20.783 1.00 0.00 C ATOM 376 CG ASP A 24 -4.243 1.336 -21.329 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.280 1.091 -20.567 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.196 1.059 -22.548 1.00 0.00 O ATOM 0 H ASP A 24 -7.222 3.484 -19.071 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.077 1.450 -18.770 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.370 1.362 -20.997 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.681 2.939 -21.326 1.00 0.00 H new ATOM 383 N LYS A 25 -3.340 3.444 -19.170 1.00 0.00 N ATOM 384 CA LYS A 25 -2.328 4.427 -18.784 1.00 0.00 C ATOM 385 C LYS A 25 -2.611 5.832 -19.306 1.00 0.00 C ATOM 386 O LYS A 25 -2.386 6.801 -18.584 1.00 0.00 O ATOM 387 CB LYS A 25 -0.941 3.927 -19.218 1.00 0.00 C ATOM 388 CG LYS A 25 -0.769 3.703 -20.735 1.00 0.00 C ATOM 389 CD LYS A 25 0.473 2.859 -21.064 1.00 0.00 C ATOM 390 CE LYS A 25 0.412 1.417 -20.524 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.618 0.577 -21.187 1.00 0.00 N ATOM 0 H LYS A 25 -2.934 2.636 -19.642 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.359 4.520 -17.698 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.193 4.647 -18.886 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.733 2.990 -18.702 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.656 3.208 -21.130 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.693 4.668 -21.236 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.601 2.826 -22.146 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.354 3.353 -20.654 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.388 0.949 -20.651 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.210 1.447 -19.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.350 -0.425 -21.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.537 0.725 -20.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.689 0.842 -22.190 1.00 0.00 H new ATOM 405 N GLU A 26 -3.135 5.947 -20.528 1.00 0.00 N ATOM 406 CA GLU A 26 -3.476 7.241 -21.111 1.00 0.00 C ATOM 407 C GLU A 26 -4.639 7.855 -20.331 1.00 0.00 C ATOM 408 O GLU A 26 -4.623 9.044 -20.017 1.00 0.00 O ATOM 409 CB GLU A 26 -3.840 7.070 -22.595 1.00 0.00 C ATOM 410 CG GLU A 26 -2.616 6.713 -23.450 1.00 0.00 C ATOM 411 CD GLU A 26 -2.985 6.568 -24.937 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.384 5.461 -25.366 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.859 7.552 -25.701 1.00 0.00 O ATOM 0 H GLU A 26 -3.333 5.151 -21.135 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.618 7.911 -21.048 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.593 6.288 -22.696 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.286 7.992 -22.968 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.855 7.485 -23.337 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.180 5.781 -23.090 1.00 0.00 H new ATOM 420 N GLU A 27 -5.628 7.042 -19.956 1.00 0.00 N ATOM 421 CA GLU A 27 -6.782 7.504 -19.200 1.00 0.00 C ATOM 422 C GLU A 27 -6.378 7.814 -17.757 1.00 0.00 C ATOM 423 O GLU A 27 -6.882 8.775 -17.181 1.00 0.00 O ATOM 424 CB GLU A 27 -7.907 6.458 -19.240 1.00 0.00 C ATOM 425 CG GLU A 27 -8.298 5.980 -20.648 1.00 0.00 C ATOM 426 CD GLU A 27 -8.700 7.127 -21.595 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.597 7.928 -21.248 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.148 7.215 -22.715 1.00 0.00 O ATOM 0 H GLU A 27 -5.647 6.045 -20.170 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.156 8.420 -19.657 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.600 5.594 -18.651 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.790 6.877 -18.756 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.461 5.436 -21.084 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.128 5.278 -20.568 1.00 0.00 H new ATOM 435 N ARG A 28 -5.450 7.049 -17.164 1.00 0.00 N ATOM 436 CA ARG A 28 -4.946 7.339 -15.818 1.00 0.00 C ATOM 437 C ARG A 28 -4.199 8.669 -15.823 1.00 0.00 C ATOM 438 O ARG A 28 -4.390 9.474 -14.909 1.00 0.00 O ATOM 439 CB ARG A 28 -4.065 6.188 -15.290 1.00 0.00 C ATOM 440 CG ARG A 28 -4.901 4.951 -14.919 1.00 0.00 C ATOM 441 CD ARG A 28 -4.097 3.841 -14.217 1.00 0.00 C ATOM 442 NE ARG A 28 -3.383 2.945 -15.147 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.923 1.958 -15.872 1.00 0.00 C ATOM 444 NH1 ARG A 28 -5.234 1.724 -15.843 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.125 1.216 -16.626 1.00 0.00 N ATOM 0 H ARG A 28 -5.034 6.225 -17.598 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.791 7.424 -15.135 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.330 5.916 -16.048 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.510 6.527 -14.415 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.719 5.260 -14.269 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.350 4.543 -15.825 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.374 4.300 -13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.774 3.247 -13.603 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.379 3.092 -15.247 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.842 2.301 -15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.630 0.968 -16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.122 1.403 -16.645 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.513 0.458 -17.187 1.00 0.00 H new ATOM 459 N ALA A 29 -3.398 8.933 -16.857 1.00 0.00 N ATOM 460 CA ALA A 29 -2.719 10.206 -17.016 1.00 0.00 C ATOM 461 C ALA A 29 -3.738 11.337 -17.167 1.00 0.00 C ATOM 462 O ALA A 29 -3.596 12.365 -16.509 1.00 0.00 O ATOM 463 CB ALA A 29 -1.762 10.128 -18.207 1.00 0.00 C ATOM 0 H ALA A 29 -3.206 8.266 -17.604 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.129 10.425 -16.126 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.252 11.084 -18.327 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.026 9.343 -18.032 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.325 9.901 -19.112 1.00 0.00 H new ATOM 469 N MET A 30 -4.796 11.147 -17.964 1.00 0.00 N ATOM 470 CA MET A 30 -5.860 12.141 -18.087 1.00 0.00 C ATOM 471 C MET A 30 -6.590 12.365 -16.762 1.00 0.00 C ATOM 472 O MET A 30 -6.873 13.513 -16.433 1.00 0.00 O ATOM 473 CB MET A 30 -6.835 11.783 -19.213 1.00 0.00 C ATOM 474 CG MET A 30 -6.224 11.949 -20.612 1.00 0.00 C ATOM 475 SD MET A 30 -5.742 13.635 -21.105 1.00 0.00 S ATOM 476 CE MET A 30 -4.023 13.728 -20.523 1.00 0.00 C ATOM 0 H MET A 30 -4.935 10.312 -18.533 1.00 0.00 H new ATOM 0 HA MET A 30 -5.385 13.086 -18.352 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.164 10.752 -19.087 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.721 12.413 -19.133 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.342 11.312 -20.675 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.941 11.574 -21.342 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.424 14.284 -21.244 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.992 14.235 -19.559 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.620 12.721 -20.416 1.00 0.00 H new ATOM 486 N GLY A 31 -6.844 11.319 -15.973 1.00 0.00 N ATOM 487 CA GLY A 31 -7.481 11.445 -14.669 1.00 0.00 C ATOM 488 C GLY A 31 -6.675 12.366 -13.753 1.00 0.00 C ATOM 489 O GLY A 31 -7.212 13.347 -13.229 1.00 0.00 O ATOM 0 H GLY A 31 -6.611 10.359 -16.225 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.490 11.839 -14.790 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.575 10.461 -14.210 1.00 0.00 H new ATOM 493 N TRP A 32 -5.367 12.107 -13.634 1.00 0.00 N ATOM 494 CA TRP A 32 -4.458 12.995 -12.913 1.00 0.00 C ATOM 495 C TRP A 32 -4.482 14.410 -13.490 1.00 0.00 C ATOM 496 O TRP A 32 -4.629 15.371 -12.735 1.00 0.00 O ATOM 497 CB TRP A 32 -3.026 12.450 -12.950 1.00 0.00 C ATOM 498 CG TRP A 32 -2.661 11.515 -11.845 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.691 10.168 -11.898 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.165 11.854 -10.515 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.211 9.648 -10.713 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.878 10.644 -9.818 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.913 13.066 -9.835 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.357 10.645 -8.515 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.402 13.075 -8.522 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.120 11.866 -7.865 1.00 0.00 C ATOM 0 H TRP A 32 -4.916 11.283 -14.032 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.800 13.038 -11.879 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.877 11.937 -13.900 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.335 13.293 -12.931 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.037 9.585 -12.739 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.114 8.651 -10.522 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.116 14.004 -10.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.140 9.712 -8.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.227 14.015 -8.019 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.721 11.876 -6.861 1.00 0.00 H new ATOM 517 N TYR A 33 -4.344 14.544 -14.811 1.00 0.00 N ATOM 518 CA TYR A 33 -4.216 15.831 -15.478 1.00 0.00 C ATOM 519 C TYR A 33 -5.445 16.697 -15.217 1.00 0.00 C ATOM 520 O TYR A 33 -5.293 17.856 -14.833 1.00 0.00 O ATOM 521 CB TYR A 33 -3.997 15.599 -16.980 1.00 0.00 C ATOM 522 CG TYR A 33 -4.220 16.805 -17.872 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.485 17.990 -17.687 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.201 16.747 -18.879 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.738 19.113 -18.494 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.480 17.872 -19.670 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.742 19.064 -19.487 1.00 0.00 C ATOM 528 OH TYR A 33 -4.994 20.167 -20.248 1.00 0.00 O ATOM 0 H TYR A 33 -4.318 13.750 -15.450 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.355 16.367 -15.078 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.977 15.244 -17.129 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.664 14.801 -17.306 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.724 18.037 -16.922 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.744 15.828 -19.045 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.163 20.016 -18.354 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.258 17.827 -20.418 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.712 19.968 -20.885 1.00 0.00 H new ATOM 538 N TYR A 34 -6.651 16.145 -15.373 1.00 0.00 N ATOM 539 CA TYR A 34 -7.886 16.888 -15.179 1.00 0.00 C ATOM 540 C TYR A 34 -8.018 17.316 -13.718 1.00 0.00 C ATOM 541 O TYR A 34 -8.385 18.459 -13.449 1.00 0.00 O ATOM 542 CB TYR A 34 -9.094 16.025 -15.580 1.00 0.00 C ATOM 543 CG TYR A 34 -9.188 15.532 -17.020 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.425 16.093 -18.068 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.088 14.486 -17.307 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.575 15.623 -19.386 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.239 14.007 -18.619 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.485 14.577 -19.668 1.00 0.00 C ATOM 549 OH TYR A 34 -9.640 14.108 -20.939 1.00 0.00 O ATOM 0 H TYR A 34 -6.792 15.170 -15.637 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.861 17.777 -15.810 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.108 15.151 -14.929 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.997 16.597 -15.366 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.723 16.886 -17.857 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.668 14.047 -16.509 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.994 16.062 -20.184 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.931 13.204 -18.825 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.306 13.389 -20.943 1.00 0.00 H new ATOM 559 N TYR A 35 -7.710 16.420 -12.774 1.00 0.00 N ATOM 560 CA TYR A 35 -7.828 16.719 -11.357 1.00 0.00 C ATOM 561 C TYR A 35 -6.858 17.836 -10.963 1.00 0.00 C ATOM 562 O TYR A 35 -7.257 18.790 -10.297 1.00 0.00 O ATOM 563 CB TYR A 35 -7.585 15.443 -10.543 1.00 0.00 C ATOM 564 CG TYR A 35 -7.849 15.614 -9.061 1.00 0.00 C ATOM 565 CD1 TYR A 35 -9.169 15.578 -8.575 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.779 15.813 -8.168 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.422 15.739 -7.201 1.00 0.00 C ATOM 568 CE2 TYR A 35 -7.022 15.983 -6.794 1.00 0.00 C ATOM 569 CZ TYR A 35 -8.349 15.945 -6.303 1.00 0.00 C ATOM 570 OH TYR A 35 -8.606 16.095 -4.973 1.00 0.00 O ATOM 0 H TYR A 35 -7.376 15.478 -12.976 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.835 17.075 -11.141 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.223 14.648 -10.929 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.553 15.121 -10.686 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.991 15.426 -9.259 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.766 15.835 -8.541 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.436 15.705 -6.831 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.198 16.142 -6.114 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.764 16.227 -4.490 1.00 0.00 H new ATOM 580 N LEU A 36 -5.599 17.760 -11.402 1.00 0.00 N ATOM 581 CA LEU A 36 -4.586 18.765 -11.099 1.00 0.00 C ATOM 582 C LEU A 36 -4.948 20.089 -11.758 1.00 0.00 C ATOM 583 O LEU A 36 -4.880 21.121 -11.096 1.00 0.00 O ATOM 584 CB LEU A 36 -3.197 18.276 -11.551 1.00 0.00 C ATOM 585 CG LEU A 36 -2.372 17.609 -10.431 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.140 16.563 -9.613 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.137 16.945 -11.046 1.00 0.00 C ATOM 0 H LEU A 36 -5.255 16.994 -11.981 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.551 18.923 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.321 17.566 -12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.636 19.123 -11.947 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.105 18.406 -9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.484 16.146 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.000 17.034 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.482 15.765 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.549 16.471 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.451 16.191 -11.768 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.531 17.699 -11.548 1.00 0.00 H new ATOM 599 N ASP A 37 -5.388 20.078 -13.016 1.00 0.00 N ATOM 600 CA ASP A 37 -5.817 21.287 -13.712 1.00 0.00 C ATOM 601 C ASP A 37 -6.987 21.974 -13.001 1.00 0.00 C ATOM 602 O ASP A 37 -7.065 23.202 -12.991 1.00 0.00 O ATOM 603 CB ASP A 37 -6.191 20.950 -15.159 1.00 0.00 C ATOM 604 CG ASP A 37 -6.714 22.183 -15.910 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.891 23.007 -16.364 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.946 22.308 -16.095 1.00 0.00 O ATOM 0 H ASP A 37 -5.456 19.231 -13.579 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.982 21.988 -13.708 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.319 20.551 -15.677 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.952 20.169 -15.166 1.00 0.00 H new ATOM 611 N ASP A 38 -7.866 21.198 -12.360 1.00 0.00 N ATOM 612 CA ASP A 38 -8.990 21.727 -11.586 1.00 0.00 C ATOM 613 C ASP A 38 -8.579 22.184 -10.178 1.00 0.00 C ATOM 614 O ASP A 38 -9.269 23.005 -9.572 1.00 0.00 O ATOM 615 CB ASP A 38 -10.087 20.659 -11.485 1.00 0.00 C ATOM 616 CG ASP A 38 -11.318 21.174 -10.719 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.032 22.061 -11.241 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.614 20.659 -9.617 1.00 0.00 O ATOM 0 H ASP A 38 -7.816 20.179 -12.364 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.361 22.607 -12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.386 20.349 -12.486 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.690 19.777 -10.983 1.00 0.00 H new ATOM 623 N THR A 39 -7.456 21.685 -9.655 1.00 0.00 N ATOM 624 CA THR A 39 -7.072 21.869 -8.256 1.00 0.00 C ATOM 625 C THR A 39 -6.025 22.973 -8.083 1.00 0.00 C ATOM 626 O THR A 39 -6.148 23.799 -7.177 1.00 0.00 O ATOM 627 CB THR A 39 -6.550 20.526 -7.713 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.578 19.559 -7.755 1.00 0.00 O ATOM 629 CG2 THR A 39 -6.025 20.631 -6.279 1.00 0.00 C ATOM 0 H THR A 39 -6.785 21.139 -10.195 1.00 0.00 H new ATOM 0 HA THR A 39 -7.947 22.188 -7.690 1.00 0.00 H new ATOM 0 HB THR A 39 -5.717 20.231 -8.351 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.511 19.046 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.670 19.655 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.203 21.346 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.827 20.967 -5.622 1.00 0.00 H new ATOM 637 N LEU A 40 -4.983 22.970 -8.916 1.00 0.00 N ATOM 638 CA LEU A 40 -3.812 23.818 -8.737 1.00 0.00 C ATOM 639 C LEU A 40 -4.227 25.271 -8.986 1.00 0.00 C ATOM 640 O LEU A 40 -4.801 25.580 -10.031 1.00 0.00 O ATOM 641 CB LEU A 40 -2.706 23.384 -9.714 1.00 0.00 C ATOM 642 CG LEU A 40 -2.161 21.951 -9.524 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.393 21.541 -10.784 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.234 21.770 -8.326 1.00 0.00 C ATOM 0 H LEU A 40 -4.932 22.372 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.421 23.725 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.090 23.474 -10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.874 24.083 -9.625 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.035 21.326 -9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.004 20.530 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.063 21.569 -11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.565 22.231 -10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.903 20.733 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.368 22.422 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.768 22.025 -7.411 1.00 0.00 H new ATOM 656 N GLU A 41 -3.936 26.171 -8.048 1.00 0.00 N ATOM 657 CA GLU A 41 -4.428 27.553 -8.061 1.00 0.00 C ATOM 658 C GLU A 41 -3.557 28.481 -8.931 1.00 0.00 C ATOM 659 O GLU A 41 -3.290 29.625 -8.561 1.00 0.00 O ATOM 660 CB GLU A 41 -4.646 28.062 -6.620 1.00 0.00 C ATOM 661 CG GLU A 41 -3.374 28.336 -5.785 1.00 0.00 C ATOM 662 CD GLU A 41 -3.238 29.804 -5.322 1.00 0.00 C ATOM 663 OE1 GLU A 41 -4.203 30.372 -4.758 1.00 0.00 O ATOM 664 OE2 GLU A 41 -2.139 30.388 -5.448 1.00 0.00 O ATOM 0 H GLU A 41 -3.343 25.960 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.404 27.566 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.228 28.983 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.252 27.329 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.379 27.687 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.498 28.068 -6.376 1.00 0.00 H new ATOM 671 N PHE A 42 -3.056 27.977 -10.064 1.00 0.00 N ATOM 672 CA PHE A 42 -2.140 28.705 -10.939 1.00 0.00 C ATOM 673 C PHE A 42 -2.740 30.034 -11.455 1.00 0.00 C ATOM 674 O PHE A 42 -3.966 30.135 -11.586 1.00 0.00 O ATOM 675 CB PHE A 42 -1.659 27.793 -12.080 1.00 0.00 C ATOM 676 CG PHE A 42 -2.746 27.108 -12.886 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.487 27.821 -13.848 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.977 25.732 -12.708 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.479 27.167 -14.600 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.970 25.079 -13.457 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.726 25.798 -14.399 1.00 0.00 C ATOM 0 H PHE A 42 -3.280 27.040 -10.400 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.270 28.993 -10.348 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.049 28.387 -12.761 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.010 27.026 -11.657 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.293 28.871 -14.008 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.389 25.176 -11.993 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.051 27.717 -15.332 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.153 24.025 -13.309 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.496 25.299 -14.968 1.00 0.00 H new ATOM 691 N PRO A 43 -1.909 31.036 -11.811 1.00 0.00 N ATOM 692 CA PRO A 43 -0.455 31.037 -11.671 1.00 0.00 C ATOM 693 C PRO A 43 -0.030 31.075 -10.195 1.00 0.00 C ATOM 694 O PRO A 43 -0.669 31.739 -9.378 1.00 0.00 O ATOM 695 CB PRO A 43 0.044 32.260 -12.447 1.00 0.00 C ATOM 696 CG PRO A 43 -1.142 33.223 -12.389 1.00 0.00 C ATOM 697 CD PRO A 43 -2.355 32.292 -12.396 1.00 0.00 C ATOM 0 HA PRO A 43 -0.018 30.122 -12.070 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.934 32.691 -11.989 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.305 32.005 -13.474 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.115 33.841 -11.491 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.151 33.901 -13.242 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.176 32.719 -11.820 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.722 32.140 -13.411 1.00 0.00 H new ATOM 705 N PHE A 44 1.043 30.354 -9.858 1.00 0.00 N ATOM 706 CA PHE A 44 1.592 30.279 -8.503 1.00 0.00 C ATOM 707 C PHE A 44 3.116 30.198 -8.593 1.00 0.00 C ATOM 708 O PHE A 44 3.649 29.807 -9.626 1.00 0.00 O ATOM 709 CB PHE A 44 0.989 29.089 -7.727 1.00 0.00 C ATOM 710 CG PHE A 44 1.371 27.683 -8.180 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.592 27.121 -7.765 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.491 26.900 -8.951 1.00 0.00 C ATOM 713 CE1 PHE A 44 2.958 25.822 -8.154 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.852 25.597 -9.342 1.00 0.00 C ATOM 715 CZ PHE A 44 2.086 25.056 -8.944 1.00 0.00 C ATOM 0 H PHE A 44 1.564 29.795 -10.534 1.00 0.00 H new ATOM 0 HA PHE A 44 1.324 31.176 -7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.272 29.193 -6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.097 29.173 -7.773 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.257 27.696 -7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.468 27.302 -9.244 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.909 25.413 -7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.178 25.011 -9.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.362 24.056 -9.244 1.00 0.00 H new ATOM 725 N MET A 45 3.843 30.570 -7.541 1.00 0.00 N ATOM 726 CA MET A 45 5.306 30.561 -7.562 1.00 0.00 C ATOM 727 C MET A 45 5.816 29.181 -7.145 1.00 0.00 C ATOM 728 O MET A 45 5.253 28.572 -6.234 1.00 0.00 O ATOM 729 CB MET A 45 5.802 31.645 -6.593 1.00 0.00 C ATOM 730 CG MET A 45 7.320 31.816 -6.628 1.00 0.00 C ATOM 731 SD MET A 45 7.940 32.975 -5.384 1.00 0.00 S ATOM 732 CE MET A 45 9.703 32.796 -5.734 1.00 0.00 C ATOM 0 H MET A 45 3.440 30.883 -6.658 1.00 0.00 H new ATOM 0 HA MET A 45 5.681 30.769 -8.564 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.328 32.594 -6.842 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.492 31.390 -5.579 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.791 30.845 -6.476 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.617 32.163 -7.618 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.278 33.369 -5.007 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.982 31.744 -5.670 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.914 33.167 -6.737 1.00 0.00 H new ATOM 742 N GLY A 46 6.915 28.697 -7.726 1.00 0.00 N ATOM 743 CA GLY A 46 7.568 27.493 -7.250 1.00 0.00 C ATOM 744 C GLY A 46 9.051 27.506 -7.570 1.00 0.00 C ATOM 745 O GLY A 46 9.549 28.336 -8.331 1.00 0.00 O ATOM 0 H GLY A 46 7.368 29.129 -8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.427 27.402 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.103 26.620 -7.707 1.00 0.00 H new ATOM 749 N LYS A 47 9.772 26.575 -6.960 1.00 0.00 N ATOM 750 CA LYS A 47 11.152 26.296 -7.311 1.00 0.00 C ATOM 751 C LYS A 47 11.134 25.116 -8.275 1.00 0.00 C ATOM 752 O LYS A 47 10.573 24.067 -7.950 1.00 0.00 O ATOM 753 CB LYS A 47 11.962 25.973 -6.042 1.00 0.00 C ATOM 754 CG LYS A 47 13.470 26.082 -6.298 1.00 0.00 C ATOM 755 CD LYS A 47 13.979 27.531 -6.395 1.00 0.00 C ATOM 756 CE LYS A 47 14.016 28.242 -5.036 1.00 0.00 C ATOM 757 NZ LYS A 47 14.986 29.360 -5.052 1.00 0.00 N ATOM 0 H LYS A 47 9.412 25.991 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 47 11.627 27.157 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.677 26.657 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.721 24.966 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.003 25.572 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.711 25.559 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.980 27.531 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.338 28.091 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.023 28.620 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.287 27.531 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.852 29.948 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.954 28.980 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.835 29.939 -5.903 1.00 0.00 H new ATOM 771 N TRP A 48 11.729 25.281 -9.452 1.00 0.00 N ATOM 772 CA TRP A 48 11.986 24.193 -10.376 1.00 0.00 C ATOM 773 C TRP A 48 13.322 23.602 -9.940 1.00 0.00 C ATOM 774 O TRP A 48 14.382 24.165 -10.203 1.00 0.00 O ATOM 775 CB TRP A 48 12.013 24.705 -11.825 1.00 0.00 C ATOM 776 CG TRP A 48 12.206 23.670 -12.895 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.247 22.330 -12.715 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.364 23.867 -14.334 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.429 21.692 -13.918 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.504 22.591 -14.961 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.387 24.999 -15.177 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.653 22.449 -16.349 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.526 24.868 -16.572 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.658 23.597 -17.160 1.00 0.00 C ATOM 0 H TRP A 48 12.049 26.188 -9.791 1.00 0.00 H new ATOM 0 HA TRP A 48 11.204 23.434 -10.355 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.077 25.228 -12.020 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.813 25.440 -11.913 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.150 21.832 -11.761 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.500 20.680 -14.026 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.296 25.984 -14.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.763 21.469 -16.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.531 25.750 -17.195 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.763 23.504 -18.231 1.00 0.00 H new ATOM 795 N LYS A 49 13.282 22.495 -9.211 1.00 0.00 N ATOM 796 CA LYS A 49 14.443 21.770 -8.706 1.00 0.00 C ATOM 797 C LYS A 49 14.864 20.788 -9.802 1.00 0.00 C ATOM 798 O LYS A 49 14.649 19.582 -9.678 1.00 0.00 O ATOM 799 CB LYS A 49 14.029 21.078 -7.395 1.00 0.00 C ATOM 800 CG LYS A 49 13.789 22.096 -6.264 1.00 0.00 C ATOM 801 CD LYS A 49 13.023 21.477 -5.090 1.00 0.00 C ATOM 802 CE LYS A 49 13.834 20.428 -4.319 1.00 0.00 C ATOM 803 NZ LYS A 49 13.001 19.724 -3.313 1.00 0.00 N ATOM 0 H LYS A 49 12.401 22.057 -8.943 1.00 0.00 H new ATOM 0 HA LYS A 49 15.295 22.411 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.121 20.498 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.806 20.375 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.747 22.479 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.230 22.947 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.722 22.269 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.109 21.016 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.251 19.703 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.675 20.911 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.590 19.462 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.233 20.350 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.596 18.865 -3.737 1.00 0.00 H new ATOM 817 N LYS A 50 15.359 21.316 -10.925 1.00 0.00 N ATOM 818 CA LYS A 50 15.628 20.509 -12.111 1.00 0.00 C ATOM 819 C LYS A 50 16.717 19.501 -11.759 1.00 0.00 C ATOM 820 O LYS A 50 17.794 19.900 -11.323 1.00 0.00 O ATOM 821 CB LYS A 50 16.036 21.416 -13.283 1.00 0.00 C ATOM 822 CG LYS A 50 16.493 20.643 -14.529 1.00 0.00 C ATOM 823 CD LYS A 50 15.414 19.792 -15.212 1.00 0.00 C ATOM 824 CE LYS A 50 15.879 19.261 -16.580 1.00 0.00 C ATOM 825 NZ LYS A 50 17.114 18.440 -16.506 1.00 0.00 N ATOM 0 H LYS A 50 15.582 22.305 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 50 14.736 19.968 -12.426 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.192 22.052 -13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.842 22.074 -12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.882 21.357 -15.255 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.320 19.992 -14.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.152 18.953 -14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.511 20.388 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.080 18.664 -17.020 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.052 20.104 -17.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.353 18.086 -17.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.897 19.022 -16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.958 17.635 -15.866 1.00 0.00 H new ATOM 957 N ILE A 58 20.548 18.137 -8.248 1.00 0.00 N ATOM 958 CA ILE A 58 19.456 19.102 -8.307 1.00 0.00 C ATOM 959 C ILE A 58 20.093 20.467 -8.577 1.00 0.00 C ATOM 960 O ILE A 58 21.027 20.884 -7.889 1.00 0.00 O ATOM 961 CB ILE A 58 18.624 19.060 -7.004 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.914 17.695 -6.825 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.603 20.211 -6.935 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.785 17.387 -7.820 1.00 0.00 C ATOM 0 HA ILE A 58 18.749 18.873 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 58 19.327 19.189 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.662 16.906 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.504 17.651 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.041 20.143 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.128 21.166 -6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.917 20.140 -7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.362 16.407 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.007 18.146 -7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.183 17.389 -8.835 1.00 0.00 H new ATOM 976 N GLU A 59 19.557 21.164 -9.570 1.00 0.00 N ATOM 977 CA GLU A 59 19.964 22.480 -10.016 1.00 0.00 C ATOM 978 C GLU A 59 18.676 23.302 -9.988 1.00 0.00 C ATOM 979 O GLU A 59 17.798 23.163 -10.845 1.00 0.00 O ATOM 980 CB GLU A 59 20.628 22.398 -11.404 1.00 0.00 C ATOM 981 CG GLU A 59 21.992 21.681 -11.347 1.00 0.00 C ATOM 982 CD GLU A 59 22.722 21.627 -12.702 1.00 0.00 C ATOM 983 OE1 GLU A 59 22.689 22.603 -13.484 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.404 20.622 -13.000 1.00 0.00 O ATOM 0 H GLU A 59 18.778 20.798 -10.117 1.00 0.00 H new ATOM 0 HA GLU A 59 20.723 22.945 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.968 21.869 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.763 23.404 -11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.629 22.188 -10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.843 20.664 -10.984 1.00 0.00 H new ATOM 991 N GLU A 60 18.489 24.059 -8.907 1.00 0.00 N ATOM 992 CA GLU A 60 17.266 24.819 -8.705 1.00 0.00 C ATOM 993 C GLU A 60 17.224 26.063 -9.605 1.00 0.00 C ATOM 994 O GLU A 60 18.257 26.673 -9.903 1.00 0.00 O ATOM 995 CB GLU A 60 17.038 25.129 -7.221 1.00 0.00 C ATOM 996 CG GLU A 60 18.112 26.039 -6.635 1.00 0.00 C ATOM 997 CD GLU A 60 17.742 26.580 -5.244 1.00 0.00 C ATOM 998 OE1 GLU A 60 17.957 25.875 -4.231 1.00 0.00 O ATOM 999 OE2 GLU A 60 17.254 27.732 -5.158 1.00 0.00 O ATOM 0 H GLU A 60 19.174 24.159 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 60 16.424 24.199 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.063 25.600 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.013 24.195 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.051 25.489 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.281 26.876 -7.312 1.00 0.00 H new ATOM 1006 N LYS A 61 16.012 26.466 -9.990 1.00 0.00 N ATOM 1007 CA LYS A 61 15.686 27.719 -10.665 1.00 0.00 C ATOM 1008 C LYS A 61 14.385 28.201 -10.034 1.00 0.00 C ATOM 1009 O LYS A 61 13.564 27.375 -9.633 1.00 0.00 O ATOM 1010 CB LYS A 61 15.487 27.475 -12.173 1.00 0.00 C ATOM 1011 CG LYS A 61 16.797 27.129 -12.900 1.00 0.00 C ATOM 1012 CD LYS A 61 16.602 26.868 -14.401 1.00 0.00 C ATOM 1013 CE LYS A 61 15.826 25.566 -14.659 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.724 25.254 -16.108 1.00 0.00 N ATOM 0 H LYS A 61 15.185 25.891 -9.829 1.00 0.00 H new ATOM 0 HA LYS A 61 16.483 28.454 -10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.774 26.663 -12.314 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.050 28.365 -12.626 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.505 27.947 -12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.240 26.246 -12.438 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.066 27.705 -14.849 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.575 26.814 -14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.321 24.742 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.825 25.651 -14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.726 25.115 -16.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.117 26.042 -16.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.258 24.386 -16.315 1.00 0.00 H new ATOM 1028 N THR A 62 14.167 29.506 -9.945 1.00 0.00 N ATOM 1029 CA THR A 62 12.968 30.052 -9.315 1.00 0.00 C ATOM 1030 C THR A 62 12.013 30.453 -10.438 1.00 0.00 C ATOM 1031 O THR A 62 12.417 31.151 -11.372 1.00 0.00 O ATOM 1032 CB THR A 62 13.366 31.197 -8.372 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.433 30.779 -7.530 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.208 31.588 -7.460 1.00 0.00 C ATOM 0 H THR A 62 14.809 30.213 -10.304 1.00 0.00 H new ATOM 0 HA THR A 62 12.449 29.329 -8.685 1.00 0.00 H new ATOM 0 HB THR A 62 13.656 32.043 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.684 31.513 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.520 32.401 -6.804 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.362 31.914 -8.065 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.913 30.729 -6.858 1.00 0.00 H new ATOM 1042 N VAL A 63 10.762 29.989 -10.381 1.00 0.00 N ATOM 1043 CA VAL A 63 9.831 30.110 -11.492 1.00 0.00 C ATOM 1044 C VAL A 63 8.424 30.452 -11.009 1.00 0.00 C ATOM 1045 O VAL A 63 8.060 30.256 -9.849 1.00 0.00 O ATOM 1046 CB VAL A 63 9.819 28.807 -12.334 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.201 28.431 -12.896 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.290 27.582 -11.566 1.00 0.00 C ATOM 0 H VAL A 63 10.372 29.521 -9.563 1.00 0.00 H new ATOM 0 HA VAL A 63 10.171 30.931 -12.123 1.00 0.00 H new ATOM 0 HB VAL A 63 9.139 29.049 -13.151 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.120 27.511 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.563 29.233 -13.539 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.900 28.283 -12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.310 26.708 -12.217 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.918 27.400 -10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.266 27.770 -11.243 1.00 0.00 H new ATOM 1058 N GLU A 64 7.617 30.957 -11.930 1.00 0.00 N ATOM 1059 CA GLU A 64 6.186 31.130 -11.751 1.00 0.00 C ATOM 1060 C GLU A 64 5.561 30.019 -12.590 1.00 0.00 C ATOM 1061 O GLU A 64 5.777 29.964 -13.797 1.00 0.00 O ATOM 1062 CB GLU A 64 5.745 32.538 -12.178 1.00 0.00 C ATOM 1063 CG GLU A 64 4.271 32.778 -11.823 1.00 0.00 C ATOM 1064 CD GLU A 64 3.847 34.230 -12.112 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.492 34.553 -13.267 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.848 35.061 -11.175 1.00 0.00 O ATOM 0 H GLU A 64 7.949 31.265 -12.844 1.00 0.00 H new ATOM 0 HA GLU A 64 5.870 31.054 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.369 33.284 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.890 32.660 -13.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.643 32.094 -12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.109 32.554 -10.769 1.00 0.00 H new ATOM 1073 N VAL A 65 4.865 29.083 -11.961 1.00 0.00 N ATOM 1074 CA VAL A 65 4.096 28.053 -12.639 1.00 0.00 C ATOM 1075 C VAL A 65 2.862 28.743 -13.214 1.00 0.00 C ATOM 1076 O VAL A 65 2.065 29.299 -12.459 1.00 0.00 O ATOM 1077 CB VAL A 65 3.728 26.926 -11.651 1.00 0.00 C ATOM 1078 CG1 VAL A 65 2.933 25.828 -12.373 1.00 0.00 C ATOM 1079 CG2 VAL A 65 4.989 26.312 -11.017 1.00 0.00 C ATOM 0 H VAL A 65 4.819 29.018 -10.944 1.00 0.00 H new ATOM 0 HA VAL A 65 4.664 27.580 -13.440 1.00 0.00 H new ATOM 0 HB VAL A 65 3.116 27.360 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.679 25.038 -11.666 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.018 26.253 -12.786 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.537 25.412 -13.180 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.700 25.521 -10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.624 25.896 -11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.537 27.084 -10.477 1.00 0.00 H new ATOM 1089 N LEU A 66 2.713 28.736 -14.539 1.00 0.00 N ATOM 1090 CA LEU A 66 1.615 29.410 -15.229 1.00 0.00 C ATOM 1091 C LEU A 66 0.389 28.508 -15.344 1.00 0.00 C ATOM 1092 O LEU A 66 -0.728 29.025 -15.388 1.00 0.00 O ATOM 1093 CB LEU A 66 2.070 29.880 -16.625 1.00 0.00 C ATOM 1094 CG LEU A 66 2.582 31.334 -16.634 1.00 0.00 C ATOM 1095 CD1 LEU A 66 3.744 31.563 -15.663 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.030 31.716 -18.048 1.00 0.00 C ATOM 0 H LEU A 66 3.358 28.258 -15.168 1.00 0.00 H new ATOM 0 HA LEU A 66 1.332 30.280 -14.637 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.860 29.220 -16.985 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.237 29.790 -17.322 1.00 0.00 H new ATOM 0 HG LEU A 66 1.753 31.962 -16.307 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.061 32.605 -15.714 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.421 31.331 -14.648 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.578 30.916 -15.935 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.391 32.744 -18.050 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.831 31.050 -18.368 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.187 31.626 -18.733 1.00 0.00 H new ATOM 1108 N GLY A 67 0.567 27.186 -15.377 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.511 26.223 -15.451 1.00 0.00 C ATOM 1110 C GLY A 67 0.044 24.868 -15.854 1.00 0.00 C ATOM 1111 O GLY A 67 1.246 24.717 -16.086 1.00 0.00 O ATOM 0 H GLY A 67 1.491 26.754 -15.352 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.013 26.149 -14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.257 26.552 -16.175 1.00 0.00 H new ATOM 1115 N MET A 68 -0.836 23.877 -15.937 1.00 0.00 N ATOM 1116 CA MET A 68 -0.504 22.578 -16.514 1.00 0.00 C ATOM 1117 C MET A 68 -0.136 22.758 -17.990 1.00 0.00 C ATOM 1118 O MET A 68 -0.655 23.651 -18.668 1.00 0.00 O ATOM 1119 CB MET A 68 -1.679 21.596 -16.373 1.00 0.00 C ATOM 1120 CG MET A 68 -2.002 21.224 -14.919 1.00 0.00 C ATOM 1121 SD MET A 68 -0.716 20.288 -14.043 1.00 0.00 S ATOM 1122 CE MET A 68 -0.874 18.669 -14.843 1.00 0.00 C ATOM 0 H MET A 68 -1.798 23.950 -15.607 1.00 0.00 H new ATOM 0 HA MET A 68 0.346 22.161 -15.975 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.565 22.035 -16.832 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.450 20.687 -16.929 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.200 22.141 -14.364 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.922 20.640 -14.908 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.198 17.960 -14.365 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.900 18.314 -14.746 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.619 18.758 -15.899 1.00 0.00 H new ATOM 1132 N ALA A 69 0.750 21.894 -18.486 1.00 0.00 N ATOM 1133 CA ALA A 69 1.050 21.787 -19.908 1.00 0.00 C ATOM 1134 C ALA A 69 -0.192 21.289 -20.677 1.00 0.00 C ATOM 1135 O ALA A 69 -1.145 20.814 -20.050 1.00 0.00 O ATOM 1136 CB ALA A 69 2.237 20.833 -20.077 1.00 0.00 C ATOM 0 H ALA A 69 1.282 21.245 -17.905 1.00 0.00 H new ATOM 0 HA ALA A 69 1.314 22.762 -20.319 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.479 20.738 -21.135 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.100 21.228 -19.541 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.977 19.854 -19.675 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.204 21.365 -22.022 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.235 20.743 -22.842 1.00 0.00 C ATOM 1144 C PRO A 70 -1.445 19.261 -22.511 1.00 0.00 C ATOM 1145 O PRO A 70 -0.517 18.555 -22.097 1.00 0.00 O ATOM 1146 CB PRO A 70 -0.776 20.924 -24.293 1.00 0.00 C ATOM 1147 CG PRO A 70 0.078 22.188 -24.233 1.00 0.00 C ATOM 1148 CD PRO A 70 0.749 22.072 -22.866 1.00 0.00 C ATOM 0 HA PRO A 70 -2.201 21.211 -22.655 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.202 20.066 -24.644 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.621 21.041 -24.971 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.808 22.223 -25.041 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.528 23.091 -24.312 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.690 21.527 -22.936 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.980 23.056 -22.458 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.654 18.768 -22.787 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.013 17.359 -22.635 1.00 0.00 C ATOM 1158 C ASP A 71 -2.113 16.448 -23.475 1.00 0.00 C ATOM 1159 O ASP A 71 -1.861 15.314 -23.080 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.490 17.120 -22.985 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.740 16.957 -24.496 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -4.700 17.974 -25.225 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.017 15.827 -24.954 1.00 0.00 O ATOM 0 H ASP A 71 -3.422 19.346 -23.128 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.860 17.105 -21.586 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.839 16.226 -22.468 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.084 17.955 -22.614 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.579 16.951 -24.592 1.00 0.00 N ATOM 1169 CA ASP A 72 -0.683 16.204 -25.476 1.00 0.00 C ATOM 1170 C ASP A 72 0.597 15.770 -24.758 1.00 0.00 C ATOM 1171 O ASP A 72 1.148 14.708 -25.051 1.00 0.00 O ATOM 1172 CB ASP A 72 -0.328 17.057 -26.698 1.00 0.00 C ATOM 1173 CG ASP A 72 0.634 16.311 -27.638 1.00 0.00 C ATOM 1174 OD1 ASP A 72 0.199 15.358 -28.322 1.00 0.00 O ATOM 1175 OD2 ASP A 72 1.818 16.705 -27.736 1.00 0.00 O ATOM 0 H ASP A 72 -1.760 17.903 -24.911 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.207 15.303 -25.793 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.238 17.319 -27.238 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.130 17.991 -26.372 1.00 0.00 H new ATOM 1180 N GLU A 73 1.048 16.565 -23.784 1.00 0.00 N ATOM 1181 CA GLU A 73 2.196 16.236 -22.949 1.00 0.00 C ATOM 1182 C GLU A 73 1.712 15.532 -21.681 1.00 0.00 C ATOM 1183 O GLU A 73 2.305 14.532 -21.270 1.00 0.00 O ATOM 1184 CB GLU A 73 3.004 17.504 -22.625 1.00 0.00 C ATOM 1185 CG GLU A 73 3.652 18.081 -23.893 1.00 0.00 C ATOM 1186 CD GLU A 73 4.613 19.242 -23.584 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.778 18.984 -23.204 1.00 0.00 O ATOM 1188 OE2 GLU A 73 4.228 20.418 -23.773 1.00 0.00 O ATOM 0 H GLU A 73 0.620 17.462 -23.554 1.00 0.00 H new ATOM 0 HA GLU A 73 2.861 15.559 -23.485 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.351 18.251 -22.174 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.776 17.271 -21.891 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.196 17.291 -24.412 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.872 18.429 -24.570 1.00 0.00 H new ATOM 1195 N CYS A 74 0.592 15.981 -21.103 1.00 0.00 N ATOM 1196 CA CYS A 74 0.061 15.412 -19.866 1.00 0.00 C ATOM 1197 C CYS A 74 -0.527 14.000 -20.019 1.00 0.00 C ATOM 1198 O CYS A 74 -1.049 13.443 -19.056 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.911 16.377 -19.185 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.074 17.948 -18.834 1.00 0.00 S ATOM 0 H CYS A 74 0.033 16.746 -21.480 1.00 0.00 H new ATOM 0 HA CYS A 74 0.920 15.279 -19.209 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.775 16.550 -19.827 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.284 15.939 -18.259 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.686 18.914 -19.453 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.443 13.416 -21.214 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.748 12.015 -21.495 1.00 0.00 C ATOM 1208 C LEU A 75 0.410 11.108 -21.076 1.00 0.00 C ATOM 1209 O LEU A 75 0.204 9.905 -20.916 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.999 11.834 -23.006 1.00 0.00 C ATOM 1211 CG LEU A 75 -2.466 12.059 -23.415 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -2.551 12.274 -24.929 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -3.346 10.868 -23.018 1.00 0.00 C ATOM 0 H LEU A 75 -0.149 13.928 -22.046 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.637 11.740 -20.927 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.366 12.529 -23.557 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.699 10.828 -23.298 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.831 12.942 -22.891 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.590 12.433 -25.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.960 13.147 -25.206 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.163 11.395 -25.444 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.375 11.059 -23.321 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.983 9.967 -23.513 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.306 10.730 -21.938 1.00 0.00 H new ATOM 1225 N LYS A 76 1.623 11.656 -20.929 1.00 0.00 N ATOM 1226 CA LYS A 76 2.839 10.868 -20.743 1.00 0.00 C ATOM 1227 C LYS A 76 3.343 10.994 -19.312 1.00 0.00 C ATOM 1228 O LYS A 76 3.787 9.998 -18.741 1.00 0.00 O ATOM 1229 CB LYS A 76 3.909 11.330 -21.747 1.00 0.00 C ATOM 1230 CG LYS A 76 3.493 11.053 -23.204 1.00 0.00 C ATOM 1231 CD LYS A 76 4.552 11.489 -24.227 1.00 0.00 C ATOM 1232 CE LYS A 76 4.680 13.019 -24.307 1.00 0.00 C ATOM 1233 NZ LYS A 76 5.674 13.443 -25.325 1.00 0.00 N ATOM 0 H LYS A 76 1.785 12.663 -20.936 1.00 0.00 H new ATOM 0 HA LYS A 76 2.618 9.816 -20.925 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.090 12.397 -21.618 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.849 10.820 -21.535 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.298 9.987 -23.323 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.558 11.573 -23.414 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.516 11.058 -23.957 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.291 11.095 -25.209 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.709 13.452 -24.547 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.971 13.410 -23.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.728 14.481 -25.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.607 13.052 -25.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.384 13.093 -26.260 1.00 0.00 H new ATOM 1247 N ASP A 77 3.257 12.187 -18.724 1.00 0.00 N ATOM 1248 CA ASP A 77 3.674 12.476 -17.349 1.00 0.00 C ATOM 1249 C ASP A 77 3.044 13.812 -16.948 1.00 0.00 C ATOM 1250 O ASP A 77 2.529 14.504 -17.826 1.00 0.00 O ATOM 1251 CB ASP A 77 5.207 12.553 -17.267 1.00 0.00 C ATOM 1252 CG ASP A 77 5.696 12.410 -15.825 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.456 11.337 -15.228 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.335 13.349 -15.308 1.00 0.00 O ATOM 0 H ASP A 77 2.884 13.005 -19.205 1.00 0.00 H new ATOM 0 HA ASP A 77 3.347 11.687 -16.672 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.646 11.767 -17.881 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.548 13.504 -17.676 1.00 0.00 H new ATOM 1259 N MET A 78 3.039 14.212 -15.672 1.00 0.00 N ATOM 1260 CA MET A 78 2.486 15.519 -15.311 1.00 0.00 C ATOM 1261 C MET A 78 3.520 16.597 -15.631 1.00 0.00 C ATOM 1262 O MET A 78 4.641 16.562 -15.116 1.00 0.00 O ATOM 1263 CB MET A 78 2.080 15.581 -13.832 1.00 0.00 C ATOM 1264 CG MET A 78 0.871 14.698 -13.502 1.00 0.00 C ATOM 1265 SD MET A 78 -0.653 15.059 -14.428 1.00 0.00 S ATOM 1266 CE MET A 78 -0.601 13.733 -15.668 1.00 0.00 C ATOM 0 H MET A 78 3.402 13.665 -14.891 1.00 0.00 H new ATOM 0 HA MET A 78 1.580 15.687 -15.893 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.925 15.274 -13.216 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.851 16.613 -13.567 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.145 13.658 -13.682 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.657 14.792 -12.437 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.040 14.089 -16.600 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.434 13.439 -15.843 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.166 12.874 -15.306 1.00 0.00 H new ATOM 1276 N TYR A 79 3.127 17.585 -16.436 1.00 0.00 N ATOM 1277 CA TYR A 79 3.984 18.679 -16.868 1.00 0.00 C ATOM 1278 C TYR A 79 3.263 20.004 -16.637 1.00 0.00 C ATOM 1279 O TYR A 79 2.030 20.063 -16.626 1.00 0.00 O ATOM 1280 CB TYR A 79 4.339 18.523 -18.355 1.00 0.00 C ATOM 1281 CG TYR A 79 5.236 17.357 -18.726 1.00 0.00 C ATOM 1282 CD1 TYR A 79 6.627 17.443 -18.529 1.00 0.00 C ATOM 1283 CD2 TYR A 79 4.690 16.218 -19.345 1.00 0.00 C ATOM 1284 CE1 TYR A 79 7.468 16.393 -18.937 1.00 0.00 C ATOM 1285 CE2 TYR A 79 5.522 15.170 -19.773 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.919 15.250 -19.563 1.00 0.00 C ATOM 1287 OH TYR A 79 7.745 14.240 -19.961 1.00 0.00 O ATOM 0 H TYR A 79 2.181 17.644 -16.812 1.00 0.00 H new ATOM 0 HA TYR A 79 4.908 18.662 -16.290 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.410 18.429 -18.918 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.822 19.442 -18.687 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.050 18.320 -18.062 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.622 16.149 -19.492 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.533 16.459 -18.772 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.096 14.306 -20.261 1.00 0.00 H new ATOM 0 HH TYR A 79 7.214 13.526 -20.373 1.00 0.00 H new ATOM 1297 N VAL A 80 4.038 21.074 -16.496 1.00 0.00 N ATOM 1298 CA VAL A 80 3.565 22.406 -16.164 1.00 0.00 C ATOM 1299 C VAL A 80 4.369 23.410 -16.980 1.00 0.00 C ATOM 1300 O VAL A 80 5.570 23.231 -17.185 1.00 0.00 O ATOM 1301 CB VAL A 80 3.696 22.678 -14.648 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.488 22.135 -13.876 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.979 22.120 -14.004 1.00 0.00 C ATOM 0 H VAL A 80 5.050 21.032 -16.615 1.00 0.00 H new ATOM 0 HA VAL A 80 2.507 22.499 -16.408 1.00 0.00 H new ATOM 0 HB VAL A 80 3.744 23.765 -14.576 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.612 22.343 -12.813 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.579 22.617 -14.236 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.413 21.058 -14.029 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.985 22.358 -12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.011 21.038 -14.134 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.850 22.568 -14.481 1.00 0.00 H new ATOM 1313 N GLU A 81 3.703 24.455 -17.460 1.00 0.00 N ATOM 1314 CA GLU A 81 4.355 25.601 -18.070 1.00 0.00 C ATOM 1315 C GLU A 81 4.876 26.468 -16.926 1.00 0.00 C ATOM 1316 O GLU A 81 4.130 26.755 -15.985 1.00 0.00 O ATOM 1317 CB GLU A 81 3.361 26.393 -18.934 1.00 0.00 C ATOM 1318 CG GLU A 81 2.888 25.592 -20.154 1.00 0.00 C ATOM 1319 CD GLU A 81 2.033 26.456 -21.100 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.835 26.683 -20.817 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.548 26.904 -22.149 1.00 0.00 O ATOM 0 H GLU A 81 2.686 24.528 -17.435 1.00 0.00 H new ATOM 0 HA GLU A 81 5.168 25.284 -18.724 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.499 26.673 -18.329 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.830 27.318 -19.268 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.752 25.206 -20.694 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.308 24.731 -19.822 1.00 0.00 H new ATOM 1328 N VAL A 82 6.137 26.892 -16.992 1.00 0.00 N ATOM 1329 CA VAL A 82 6.779 27.654 -15.925 1.00 0.00 C ATOM 1330 C VAL A 82 7.591 28.795 -16.539 1.00 0.00 C ATOM 1331 O VAL A 82 8.248 28.604 -17.561 1.00 0.00 O ATOM 1332 CB VAL A 82 7.619 26.726 -15.011 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.823 25.515 -14.495 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.906 26.191 -15.659 1.00 0.00 C ATOM 0 H VAL A 82 6.744 26.715 -17.792 1.00 0.00 H new ATOM 0 HA VAL A 82 6.024 28.101 -15.278 1.00 0.00 H new ATOM 0 HB VAL A 82 7.891 27.382 -14.184 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.463 24.902 -13.861 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.966 25.862 -13.918 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.475 24.922 -15.340 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.431 25.551 -14.950 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.653 25.615 -16.549 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.548 27.027 -15.938 1.00 0.00 H new ATOM 1344 N ALA A 83 7.554 29.983 -15.942 1.00 0.00 N ATOM 1345 CA ALA A 83 8.236 31.170 -16.433 1.00 0.00 C ATOM 1346 C ALA A 83 9.367 31.482 -15.465 1.00 0.00 C ATOM 1347 O ALA A 83 9.163 31.526 -14.253 1.00 0.00 O ATOM 1348 CB ALA A 83 7.251 32.338 -16.544 1.00 0.00 C ATOM 0 H ALA A 83 7.034 30.148 -15.080 1.00 0.00 H new ATOM 0 HA ALA A 83 8.643 31.003 -17.430 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.773 33.221 -16.913 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.451 32.075 -17.236 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.827 32.551 -15.563 1.00 0.00 H new ATOM 1354 N ASP A 84 10.570 31.659 -15.999 1.00 0.00 N ATOM 1355 CA ASP A 84 11.792 31.836 -15.225 1.00 0.00 C ATOM 1356 C ASP A 84 11.891 33.282 -14.742 1.00 0.00 C ATOM 1357 O ASP A 84 12.408 34.159 -15.440 1.00 0.00 O ATOM 1358 CB ASP A 84 12.980 31.383 -16.079 1.00 0.00 C ATOM 1359 CG ASP A 84 14.331 31.891 -15.564 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.686 31.614 -14.397 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.057 32.517 -16.368 1.00 0.00 O ATOM 0 H ASP A 84 10.726 31.684 -17.007 1.00 0.00 H new ATOM 0 HA ASP A 84 11.790 31.220 -14.326 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.999 30.294 -16.112 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.836 31.731 -17.102 1.00 0.00 H new ATOM 1366 N ILE A 85 11.316 33.522 -13.560 1.00 0.00 N ATOM 1367 CA ILE A 85 11.287 34.808 -12.866 1.00 0.00 C ATOM 1368 C ILE A 85 12.699 35.412 -12.860 1.00 0.00 C ATOM 1369 O ILE A 85 13.661 34.760 -12.446 1.00 0.00 O ATOM 1370 CB ILE A 85 10.740 34.642 -11.425 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.340 33.985 -11.379 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.674 36.000 -10.701 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.878 33.629 -9.956 1.00 0.00 C ATOM 0 H ILE A 85 10.836 32.789 -13.038 1.00 0.00 H new ATOM 0 HA ILE A 85 10.616 35.488 -13.391 1.00 0.00 H new ATOM 0 HB ILE A 85 11.441 33.978 -10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.614 34.662 -11.830 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.352 33.080 -11.986 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.287 35.856 -9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.673 36.433 -10.648 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.015 36.673 -11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.889 33.172 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.583 32.928 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.834 34.534 -9.351 1.00 0.00 H new ATOM 1457 N VAL A 92 8.573 31.492 -21.436 1.00 0.00 N ATOM 1458 CA VAL A 92 8.162 30.316 -20.676 1.00 0.00 C ATOM 1459 C VAL A 92 8.887 29.036 -21.131 1.00 0.00 C ATOM 1460 O VAL A 92 9.306 28.905 -22.284 1.00 0.00 O ATOM 1461 CB VAL A 92 6.613 30.263 -20.781 1.00 0.00 C ATOM 1462 CG1 VAL A 92 6.113 29.820 -22.165 1.00 0.00 C ATOM 1463 CG2 VAL A 92 5.934 29.423 -19.698 1.00 0.00 C ATOM 0 HA VAL A 92 8.452 30.387 -19.628 1.00 0.00 H new ATOM 0 HB VAL A 92 6.319 31.300 -20.620 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.023 29.804 -22.170 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.470 30.519 -22.922 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.491 28.822 -22.386 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.854 29.441 -19.847 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.291 28.395 -19.757 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.172 29.834 -18.717 1.00 0.00 H new ATOM 1473 N TYR A 93 9.005 28.097 -20.195 1.00 0.00 N ATOM 1474 CA TYR A 93 9.518 26.740 -20.333 1.00 0.00 C ATOM 1475 C TYR A 93 8.395 25.753 -19.974 1.00 0.00 C ATOM 1476 O TYR A 93 7.324 26.150 -19.511 1.00 0.00 O ATOM 1477 CB TYR A 93 10.671 26.524 -19.329 1.00 0.00 C ATOM 1478 CG TYR A 93 11.987 27.233 -19.581 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.852 26.759 -20.587 1.00 0.00 C ATOM 1480 CD2 TYR A 93 12.421 28.249 -18.707 1.00 0.00 C ATOM 1481 CE1 TYR A 93 14.153 27.279 -20.709 1.00 0.00 C ATOM 1482 CE2 TYR A 93 13.723 28.768 -18.819 1.00 0.00 C ATOM 1483 CZ TYR A 93 14.601 28.276 -19.811 1.00 0.00 C ATOM 1484 OH TYR A 93 15.863 28.780 -19.901 1.00 0.00 O ATOM 0 H TYR A 93 8.717 28.286 -19.235 1.00 0.00 H new ATOM 0 HA TYR A 93 9.868 26.584 -21.353 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.315 26.825 -18.344 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.874 25.454 -19.281 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.514 25.992 -21.268 1.00 0.00 H new ATOM 0 HD2 TYR A 93 11.752 28.630 -17.949 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.809 26.918 -21.487 1.00 0.00 H new ATOM 0 HE2 TYR A 93 14.053 29.545 -18.145 1.00 0.00 H new ATOM 0 HH TYR A 93 15.996 29.456 -19.204 1.00 0.00 H new ATOM 1494 N THR A 94 8.672 24.457 -20.103 1.00 0.00 N ATOM 1495 CA THR A 94 7.811 23.393 -19.601 1.00 0.00 C ATOM 1496 C THR A 94 8.689 22.482 -18.739 1.00 0.00 C ATOM 1497 O THR A 94 9.827 22.178 -19.110 1.00 0.00 O ATOM 1498 CB THR A 94 7.106 22.655 -20.756 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.650 23.562 -21.747 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.889 21.872 -20.252 1.00 0.00 C ATOM 0 H THR A 94 9.513 24.114 -20.566 1.00 0.00 H new ATOM 0 HA THR A 94 6.999 23.788 -18.991 1.00 0.00 H new ATOM 0 HB THR A 94 7.844 21.975 -21.182 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.209 23.065 -22.467 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.412 21.362 -21.089 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.210 21.137 -19.514 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.178 22.560 -19.794 1.00 0.00 H new ATOM 1508 N ALA A 95 8.167 22.079 -17.581 1.00 0.00 N ATOM 1509 CA ALA A 95 8.872 21.315 -16.563 1.00 0.00 C ATOM 1510 C ALA A 95 7.988 20.148 -16.138 1.00 0.00 C ATOM 1511 O ALA A 95 6.760 20.255 -16.178 1.00 0.00 O ATOM 1512 CB ALA A 95 9.156 22.230 -15.366 1.00 0.00 C ATOM 0 H ALA A 95 7.203 22.286 -17.320 1.00 0.00 H new ATOM 0 HA ALA A 95 9.817 20.932 -16.950 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.684 21.668 -14.596 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.771 23.070 -15.688 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.215 22.603 -14.962 1.00 0.00 H new ATOM 1518 N LYS A 96 8.591 19.032 -15.721 1.00 0.00 N ATOM 1519 CA LYS A 96 7.838 17.956 -15.095 1.00 0.00 C ATOM 1520 C LYS A 96 7.463 18.423 -13.696 1.00 0.00 C ATOM 1521 O LYS A 96 8.300 18.971 -12.976 1.00 0.00 O ATOM 1522 CB LYS A 96 8.613 16.631 -15.122 1.00 0.00 C ATOM 1523 CG LYS A 96 9.962 16.640 -14.384 1.00 0.00 C ATOM 1524 CD LYS A 96 10.708 15.313 -14.570 1.00 0.00 C ATOM 1525 CE LYS A 96 11.265 15.167 -15.995 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.020 13.901 -16.178 1.00 0.00 N ATOM 0 H LYS A 96 9.592 18.856 -15.807 1.00 0.00 H new ATOM 0 HA LYS A 96 6.925 17.740 -15.650 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.985 15.854 -14.686 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.789 16.354 -16.161 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.577 17.460 -14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.797 16.821 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.526 15.252 -13.852 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.034 14.484 -14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.443 15.204 -16.710 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.917 16.012 -16.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.376 13.847 -17.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.821 13.876 -15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.392 13.093 -15.994 1.00 0.00 H new ATOM 1540 N LEU A 97 6.221 18.175 -13.291 1.00 0.00 N ATOM 1541 CA LEU A 97 5.744 18.487 -11.946 1.00 0.00 C ATOM 1542 C LEU A 97 6.577 17.753 -10.884 1.00 0.00 C ATOM 1543 O LEU A 97 6.701 18.224 -9.757 1.00 0.00 O ATOM 1544 CB LEU A 97 4.251 18.130 -11.842 1.00 0.00 C ATOM 1545 CG LEU A 97 3.559 18.670 -10.573 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.586 20.205 -10.529 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.102 18.201 -10.561 1.00 0.00 C ATOM 0 H LEU A 97 5.513 17.750 -13.889 1.00 0.00 H new ATOM 0 HA LEU A 97 5.861 19.554 -11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.734 18.520 -12.718 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.146 17.045 -11.866 1.00 0.00 H new ATOM 0 HG LEU A 97 4.096 18.291 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.090 20.552 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.620 20.551 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.067 20.603 -11.401 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.606 18.578 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.591 18.579 -11.447 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.070 17.111 -10.561 1.00 0.00 H new ATOM 1559 N SER A 98 7.196 16.632 -11.262 1.00 0.00 N ATOM 1560 CA SER A 98 8.085 15.831 -10.427 1.00 0.00 C ATOM 1561 C SER A 98 9.325 16.604 -9.950 1.00 0.00 C ATOM 1562 O SER A 98 9.952 16.208 -8.967 1.00 0.00 O ATOM 1563 CB SER A 98 8.518 14.609 -11.243 1.00 0.00 C ATOM 1564 OG SER A 98 7.415 14.106 -11.983 1.00 0.00 O ATOM 0 H SER A 98 7.085 16.244 -12.199 1.00 0.00 H new ATOM 0 HA SER A 98 7.541 15.543 -9.527 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.327 14.881 -11.920 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.904 13.836 -10.579 1.00 0.00 H new ATOM 0 HG SER A 98 7.699 13.326 -12.504 1.00 0.00 H new ATOM 1570 N ASP A 99 9.666 17.707 -10.625 1.00 0.00 N ATOM 1571 CA ASP A 99 10.846 18.528 -10.352 1.00 0.00 C ATOM 1572 C ASP A 99 10.401 19.907 -9.847 1.00 0.00 C ATOM 1573 O ASP A 99 11.206 20.832 -9.810 1.00 0.00 O ATOM 1574 CB ASP A 99 11.742 18.630 -11.612 1.00 0.00 C ATOM 1575 CG ASP A 99 12.743 17.474 -11.809 1.00 0.00 C ATOM 1576 OD1 ASP A 99 12.552 16.366 -11.260 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.726 17.682 -12.558 1.00 0.00 O ATOM 0 H ASP A 99 9.108 18.063 -11.402 1.00 0.00 H new ATOM 0 HA ASP A 99 11.448 18.060 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.099 18.685 -12.490 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.299 19.566 -11.566 1.00 0.00 H new ATOM 1582 N ILE A 100 9.139 20.086 -9.446 1.00 0.00 N ATOM 1583 CA ILE A 100 8.620 21.357 -8.948 1.00 0.00 C ATOM 1584 C ILE A 100 8.279 21.202 -7.473 1.00 0.00 C ATOM 1585 O ILE A 100 7.792 20.165 -7.016 1.00 0.00 O ATOM 1586 CB ILE A 100 7.434 21.829 -9.827 1.00 0.00 C ATOM 1587 CG1 ILE A 100 7.999 22.538 -11.076 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.376 22.705 -9.121 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.311 24.029 -10.935 1.00 0.00 C ATOM 0 H ILE A 100 8.443 19.341 -9.459 1.00 0.00 H new ATOM 0 HA ILE A 100 9.369 22.146 -9.020 1.00 0.00 H new ATOM 0 HB ILE A 100 6.878 20.930 -10.095 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.913 22.025 -11.374 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.285 22.415 -11.890 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.595 22.976 -9.831 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.937 22.149 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.849 23.610 -8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.701 24.410 -11.879 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.400 24.568 -10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.054 24.173 -10.151 1.00 0.00 H new ATOM 1601 N GLU A 101 8.515 22.290 -6.752 1.00 0.00 N ATOM 1602 CA GLU A 101 8.147 22.469 -5.356 1.00 0.00 C ATOM 1603 C GLU A 101 7.487 23.844 -5.260 1.00 0.00 C ATOM 1604 O GLU A 101 8.143 24.856 -5.502 1.00 0.00 O ATOM 1605 CB GLU A 101 9.412 22.346 -4.489 1.00 0.00 C ATOM 1606 CG GLU A 101 9.120 22.459 -2.987 1.00 0.00 C ATOM 1607 CD GLU A 101 10.413 22.399 -2.153 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.086 21.343 -2.139 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.758 23.403 -1.488 1.00 0.00 O ATOM 0 H GLU A 101 8.988 23.105 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 101 7.449 21.713 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.892 21.388 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.120 23.124 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.600 23.396 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.453 21.652 -2.684 1.00 0.00 H new ATOM 1616 N ALA A 102 6.182 23.903 -4.978 1.00 0.00 N ATOM 1617 CA ALA A 102 5.478 25.178 -4.897 1.00 0.00 C ATOM 1618 C ALA A 102 5.933 25.965 -3.667 1.00 0.00 C ATOM 1619 O ALA A 102 6.315 25.390 -2.644 1.00 0.00 O ATOM 1620 CB ALA A 102 3.966 24.964 -4.841 1.00 0.00 C ATOM 0 H ALA A 102 5.598 23.085 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 102 5.717 25.749 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.464 25.930 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.639 24.440 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.715 24.369 -3.963 1.00 0.00 H new ATOM 1626 N ILE A 103 5.820 27.287 -3.764 1.00 0.00 N ATOM 1627 CA ILE A 103 6.191 28.238 -2.727 1.00 0.00 C ATOM 1628 C ILE A 103 4.932 29.043 -2.389 1.00 0.00 C ATOM 1629 O ILE A 103 4.267 29.574 -3.280 1.00 0.00 O ATOM 1630 CB ILE A 103 7.355 29.127 -3.231 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.626 28.298 -3.542 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.696 30.220 -2.202 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.676 29.074 -4.347 1.00 0.00 C ATOM 0 H ILE A 103 5.453 27.740 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 103 6.550 27.745 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 103 7.016 29.593 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.071 27.964 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.341 27.404 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.516 30.831 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.821 30.849 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.992 29.755 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.540 28.435 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.247 29.386 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.988 29.954 -3.785 1.00 0.00 H new ATOM 1645 N ASP A 104 4.649 29.153 -1.086 1.00 0.00 N ATOM 1646 CA ASP A 104 3.595 29.988 -0.496 1.00 0.00 C ATOM 1647 C ASP A 104 2.226 29.824 -1.184 1.00 0.00 C ATOM 1648 O ASP A 104 1.486 30.791 -1.383 1.00 0.00 O ATOM 1649 CB ASP A 104 4.078 31.447 -0.405 1.00 0.00 C ATOM 1650 CG ASP A 104 3.126 32.341 0.413 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.700 31.940 1.521 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.849 33.485 -0.014 1.00 0.00 O ATOM 0 H ASP A 104 5.174 28.637 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 104 3.411 29.637 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.069 31.469 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.178 31.855 -1.411 1.00 0.00 H new ATOM 1657 N VAL A 105 1.901 28.594 -1.595 1.00 0.00 N ATOM 1658 CA VAL A 105 0.686 28.291 -2.351 1.00 0.00 C ATOM 1659 C VAL A 105 -0.440 27.827 -1.410 1.00 0.00 C ATOM 1660 O VAL A 105 -0.213 27.631 -0.211 1.00 0.00 O ATOM 1661 CB VAL A 105 1.035 27.311 -3.492 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.158 25.841 -3.063 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.085 27.488 -4.674 1.00 0.00 C ATOM 0 H VAL A 105 2.480 27.775 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 105 0.287 29.186 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 105 2.041 27.581 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.405 25.228 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.945 25.745 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.212 25.505 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.352 26.786 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.938 27.297 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.162 28.507 -5.053 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.660 27.671 -1.939 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.790 27.157 -1.168 1.00 0.00 C ATOM 1675 C ASP A 106 -2.557 25.699 -0.789 1.00 0.00 C ATOM 1676 O ASP A 106 -1.823 24.961 -1.449 1.00 0.00 O ATOM 1677 CB ASP A 106 -4.104 27.245 -1.950 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.330 26.987 -1.063 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.759 27.911 -0.337 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.840 25.845 -1.065 1.00 0.00 O ATOM 0 H ASP A 106 -1.887 27.897 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.867 27.776 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.188 28.232 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.089 26.520 -2.764 1.00 0.00 H new ATOM 1685 N ASP A 107 -3.263 25.271 0.244 1.00 0.00 N ATOM 1686 CA ASP A 107 -3.169 23.929 0.801 1.00 0.00 C ATOM 1687 C ASP A 107 -3.550 22.881 -0.240 1.00 0.00 C ATOM 1688 O ASP A 107 -2.883 21.856 -0.344 1.00 0.00 O ATOM 1689 CB ASP A 107 -4.079 23.809 2.026 1.00 0.00 C ATOM 1690 CG ASP A 107 -4.059 22.382 2.597 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -3.060 22.005 3.250 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -5.067 21.655 2.451 1.00 0.00 O ATOM 0 H ASP A 107 -3.936 25.862 0.732 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.136 23.751 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.757 24.514 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.099 24.080 1.752 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.578 23.144 -1.052 1.00 0.00 N ATOM 1698 CA ASP A 108 -5.079 22.161 -2.009 1.00 0.00 C ATOM 1699 C ASP A 108 -4.116 22.011 -3.195 1.00 0.00 C ATOM 1700 O ASP A 108 -3.942 20.913 -3.725 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.487 22.574 -2.465 1.00 0.00 C ATOM 1702 CG ASP A 108 -7.338 21.414 -3.015 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -7.086 20.231 -2.697 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.346 21.703 -3.700 1.00 0.00 O ATOM 0 H ASP A 108 -5.079 24.033 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.142 21.184 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.011 23.027 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.397 23.341 -3.235 1.00 0.00 H new ATOM 1709 N THR A 109 -3.425 23.097 -3.571 1.00 0.00 N ATOM 1710 CA THR A 109 -2.362 23.059 -4.577 1.00 0.00 C ATOM 1711 C THR A 109 -1.179 22.268 -4.014 1.00 0.00 C ATOM 1712 O THR A 109 -0.668 21.371 -4.687 1.00 0.00 O ATOM 1713 CB THR A 109 -1.976 24.500 -4.971 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.138 25.155 -5.442 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.963 24.593 -6.111 1.00 0.00 C ATOM 0 H THR A 109 -3.590 24.026 -3.184 1.00 0.00 H new ATOM 0 HA THR A 109 -2.699 22.557 -5.484 1.00 0.00 H new ATOM 0 HB THR A 109 -1.534 24.944 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.678 25.452 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.749 25.641 -6.323 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.043 24.085 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.374 24.119 -7.003 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.775 22.552 -2.770 1.00 0.00 N ATOM 1724 CA GLN A 110 0.349 21.875 -2.143 1.00 0.00 C ATOM 1725 C GLN A 110 0.056 20.373 -2.043 1.00 0.00 C ATOM 1726 O GLN A 110 0.904 19.572 -2.422 1.00 0.00 O ATOM 1727 CB GLN A 110 0.657 22.519 -0.777 1.00 0.00 C ATOM 1728 CG GLN A 110 2.139 22.415 -0.377 1.00 0.00 C ATOM 1729 CD GLN A 110 2.624 20.974 -0.197 1.00 0.00 C ATOM 1730 OE1 GLN A 110 2.210 20.273 0.723 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.503 20.500 -1.067 1.00 0.00 N ATOM 0 H GLN A 110 -1.220 23.254 -2.179 1.00 0.00 H new ATOM 0 HA GLN A 110 1.245 21.988 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.368 23.570 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.046 22.040 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.748 22.902 -1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.295 22.961 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.839 21.092 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.844 19.543 -0.977 1.00 0.00 H new ATOM 1740 N GLU A 111 -1.144 19.978 -1.609 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.519 18.574 -1.470 1.00 0.00 C ATOM 1742 C GLU A 111 -1.466 17.840 -2.807 1.00 0.00 C ATOM 1743 O GLU A 111 -0.971 16.715 -2.853 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.924 18.450 -0.861 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.931 18.670 0.656 1.00 0.00 C ATOM 1746 CD GLU A 111 -2.264 17.511 1.421 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -2.870 16.421 1.531 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -1.136 17.683 1.933 1.00 0.00 O ATOM 0 H GLU A 111 -1.884 20.628 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.795 18.109 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.586 19.176 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.326 17.461 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.413 19.600 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.959 18.784 0.999 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.937 18.460 -3.892 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.909 17.838 -5.211 1.00 0.00 C ATOM 1757 C ALA A 112 -0.469 17.560 -5.659 1.00 0.00 C ATOM 1758 O ALA A 112 -0.175 16.482 -6.178 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.625 18.747 -6.212 1.00 0.00 C ATOM 0 H ALA A 112 -2.343 19.396 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.425 16.879 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.607 18.286 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.659 18.891 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.120 19.712 -6.253 1.00 0.00 H new ATOM 1765 N ILE A 113 0.433 18.520 -5.443 1.00 0.00 N ATOM 1766 CA ILE A 113 1.843 18.393 -5.800 1.00 0.00 C ATOM 1767 C ILE A 113 2.493 17.332 -4.914 1.00 0.00 C ATOM 1768 O ILE A 113 3.149 16.425 -5.420 1.00 0.00 O ATOM 1769 CB ILE A 113 2.532 19.760 -5.642 1.00 0.00 C ATOM 1770 CG1 ILE A 113 1.941 20.764 -6.651 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.061 19.658 -5.807 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.200 22.200 -6.216 1.00 0.00 C ATOM 0 H ILE A 113 0.201 19.414 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 113 1.947 18.079 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 113 2.343 20.115 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.379 20.595 -7.635 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.868 20.598 -6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.507 20.646 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.464 18.984 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.295 19.272 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.771 22.885 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.740 22.374 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.274 22.371 -6.145 1.00 0.00 H new ATOM 1784 N ALA A 114 2.304 17.439 -3.598 1.00 0.00 N ATOM 1785 CA ALA A 114 2.842 16.493 -2.632 1.00 0.00 C ATOM 1786 C ALA A 114 2.426 15.067 -2.996 1.00 0.00 C ATOM 1787 O ALA A 114 3.273 14.184 -3.054 1.00 0.00 O ATOM 1788 CB ALA A 114 2.368 16.852 -1.221 1.00 0.00 C ATOM 0 H ALA A 114 1.767 18.195 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 114 3.930 16.548 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.777 16.137 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.710 17.855 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.279 16.820 -1.184 1.00 0.00 H new ATOM 1794 N ASP A 115 1.147 14.850 -3.305 1.00 0.00 N ATOM 1795 CA ASP A 115 0.636 13.539 -3.703 1.00 0.00 C ATOM 1796 C ASP A 115 1.248 13.053 -5.017 1.00 0.00 C ATOM 1797 O ASP A 115 1.508 11.862 -5.160 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.892 13.557 -3.784 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.506 12.181 -4.103 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -0.915 11.127 -3.760 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.636 12.184 -4.637 1.00 0.00 O ATOM 0 H ASP A 115 0.435 15.580 -3.286 1.00 0.00 H new ATOM 0 HA ASP A 115 0.935 12.828 -2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.294 13.915 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.199 14.269 -4.550 1.00 0.00 H new ATOM 1806 N TRP A 116 1.561 13.949 -5.956 1.00 0.00 N ATOM 1807 CA TRP A 116 2.281 13.560 -7.167 1.00 0.00 C ATOM 1808 C TRP A 116 3.708 13.104 -6.820 1.00 0.00 C ATOM 1809 O TRP A 116 4.192 12.104 -7.354 1.00 0.00 O ATOM 1810 CB TRP A 116 2.288 14.697 -8.199 1.00 0.00 C ATOM 1811 CG TRP A 116 3.051 14.364 -9.443 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.271 14.848 -9.770 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.716 13.398 -10.487 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.721 14.239 -10.922 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.802 13.338 -11.409 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.621 12.543 -10.738 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.796 12.484 -12.519 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.599 11.688 -11.857 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.688 11.653 -12.747 1.00 0.00 C ATOM 0 H TRP A 116 1.329 14.941 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 116 1.759 12.717 -7.620 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.260 14.942 -8.466 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.720 15.588 -7.744 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.811 15.599 -9.212 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.622 14.432 -11.359 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.782 12.545 -10.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.638 12.465 -13.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.741 11.056 -12.033 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.672 10.991 -13.600 1.00 0.00 H new ATOM 1830 N LEU A 117 4.380 13.795 -5.894 1.00 0.00 N ATOM 1831 CA LEU A 117 5.717 13.416 -5.441 1.00 0.00 C ATOM 1832 C LEU A 117 5.670 12.099 -4.658 1.00 0.00 C ATOM 1833 O LEU A 117 6.571 11.273 -4.796 1.00 0.00 O ATOM 1834 CB LEU A 117 6.351 14.540 -4.601 1.00 0.00 C ATOM 1835 CG LEU A 117 6.598 15.854 -5.374 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.078 16.944 -4.411 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.619 15.687 -6.506 1.00 0.00 C ATOM 0 H LEU A 117 4.011 14.631 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 117 6.345 13.263 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.703 14.750 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.300 14.185 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 117 5.649 16.141 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.250 17.868 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.320 17.114 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.007 16.627 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.755 16.640 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.572 15.358 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.257 14.944 -7.216 1.00 0.00 H new ATOM 1849 N TYR A 118 4.618 11.856 -3.873 1.00 0.00 N ATOM 1850 CA TYR A 118 4.432 10.584 -3.190 1.00 0.00 C ATOM 1851 C TYR A 118 4.132 9.478 -4.201 1.00 0.00 C ATOM 1852 O TYR A 118 4.694 8.400 -4.067 1.00 0.00 O ATOM 1853 CB TYR A 118 3.314 10.670 -2.147 1.00 0.00 C ATOM 1854 CG TYR A 118 3.462 11.709 -1.052 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.711 12.002 -0.470 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.315 12.399 -0.619 1.00 0.00 C ATOM 1857 CE1 TYR A 118 4.816 13.008 0.507 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.416 13.433 0.323 1.00 0.00 C ATOM 1859 CZ TYR A 118 3.670 13.741 0.898 1.00 0.00 C ATOM 1860 OH TYR A 118 3.759 14.738 1.823 1.00 0.00 O ATOM 0 H TYR A 118 3.877 12.535 -3.697 1.00 0.00 H new ATOM 0 HA TYR A 118 5.359 10.345 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.378 10.863 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.218 9.693 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.590 11.453 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.347 12.130 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.773 13.222 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.538 13.993 0.608 1.00 0.00 H new ATOM 0 HH TYR A 118 2.873 15.131 1.966 1.00 0.00 H new ATOM 1870 N TRP A 119 3.318 9.723 -5.233 1.00 0.00 N ATOM 1871 CA TRP A 119 3.086 8.806 -6.352 1.00 0.00 C ATOM 1872 C TRP A 119 4.403 8.428 -7.035 1.00 0.00 C ATOM 1873 O TRP A 119 4.595 7.264 -7.396 1.00 0.00 O ATOM 1874 CB TRP A 119 2.066 9.431 -7.310 1.00 0.00 C ATOM 1875 CG TRP A 119 2.055 8.967 -8.732 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.959 9.335 -9.666 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.065 8.156 -9.438 1.00 0.00 C ATOM 1878 NE1 TRP A 119 2.618 8.794 -10.881 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.424 8.116 -10.818 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.118 7.477 -9.071 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.635 7.481 -11.784 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.939 6.869 -10.038 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.573 6.882 -11.397 1.00 0.00 C ATOM 0 H TRP A 119 2.787 10.590 -5.314 1.00 0.00 H new ATOM 0 HA TRP A 119 2.666 7.869 -5.986 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.072 9.260 -6.896 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.229 10.509 -7.313 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.820 9.961 -9.484 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.181 8.884 -11.726 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.397 7.424 -8.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.953 7.452 -12.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.858 6.388 -9.735 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.218 6.433 -12.138 1.00 0.00 H new ATOM 1894 N LEU A 120 5.332 9.383 -7.147 1.00 0.00 N ATOM 1895 CA LEU A 120 6.677 9.141 -7.652 1.00 0.00 C ATOM 1896 C LEU A 120 7.359 8.055 -6.812 1.00 0.00 C ATOM 1897 O LEU A 120 7.848 7.065 -7.354 1.00 0.00 O ATOM 1898 CB LEU A 120 7.497 10.448 -7.620 1.00 0.00 C ATOM 1899 CG LEU A 120 8.374 10.633 -8.867 1.00 0.00 C ATOM 1900 CD1 LEU A 120 7.574 11.357 -9.955 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.624 11.449 -8.521 1.00 0.00 C ATOM 0 H LEU A 120 5.164 10.354 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 120 6.617 8.797 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.817 11.295 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.130 10.452 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 120 8.682 9.652 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.198 11.488 -10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.696 10.766 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.259 12.333 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.237 11.572 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 120 9.327 12.429 -8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.199 10.927 -7.756 1.00 0.00 H new ATOM 1913 N ALA A 121 7.341 8.212 -5.482 1.00 0.00 N ATOM 1914 CA ALA A 121 7.940 7.261 -4.549 1.00 0.00 C ATOM 1915 C ALA A 121 7.108 5.975 -4.397 1.00 0.00 C ATOM 1916 O ALA A 121 7.636 4.945 -3.984 1.00 0.00 O ATOM 1917 CB ALA A 121 8.129 7.941 -3.189 1.00 0.00 C ATOM 0 H ALA A 121 6.905 9.012 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 121 8.905 6.958 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 121 8.576 7.236 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.784 8.805 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.161 8.267 -2.808 1.00 0.00 H new ATOM 1923 N ARG A 122 5.815 6.008 -4.730 1.00 0.00 N ATOM 1924 CA ARG A 122 4.909 4.855 -4.790 1.00 0.00 C ATOM 1925 C ARG A 122 5.081 4.086 -6.111 1.00 0.00 C ATOM 1926 O ARG A 122 4.402 3.081 -6.319 1.00 0.00 O ATOM 1927 CB ARG A 122 3.457 5.329 -4.561 1.00 0.00 C ATOM 1928 CG ARG A 122 2.974 5.270 -3.093 1.00 0.00 C ATOM 1929 CD ARG A 122 2.242 6.533 -2.594 1.00 0.00 C ATOM 1930 NE ARG A 122 1.209 6.991 -3.530 1.00 0.00 N ATOM 1931 CZ ARG A 122 0.596 8.179 -3.549 1.00 0.00 C ATOM 1932 NH1 ARG A 122 0.621 9.063 -2.571 1.00 0.00 N ATOM 1933 NH2 ARG A 122 -0.087 8.514 -4.618 1.00 0.00 N ATOM 0 H ARG A 122 5.348 6.880 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 122 5.159 4.152 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.365 6.355 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.791 4.719 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.308 4.414 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.836 5.090 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.785 6.326 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.967 7.332 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 122 0.926 6.326 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.138 8.862 -1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.123 9.948 -2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.141 7.874 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.564 9.415 -4.657 1.00 0.00 H new