USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 102 GLN : amide:sc= -1.71 K(o=-2.8,f=-4.5!) USER MOD Set 1.2: A 106 GLN : amide:sc= -1.12 K(o=-2.8,f=-4.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -0.0343 (180deg=-0.798) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0832) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.084 X(o=0.084,f=0.27) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -12:sc= 0.91 USER MOD Single : A 42 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 152:sc= 1.23 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.42 USER MOD Single : A 65 TYR OH : rot 130:sc= 0.253 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -3.19! C(o=-3.2!,f=-10!) USER MOD Single : A 73 SER OG : rot -88:sc= 0.676 USER MOD Single : A 76 SER OG : rot 127:sc= 0.63 USER MOD Single : A 80 CYS SG : rot -170:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -4.25 K(o=-4.2,f=-6!) USER MOD Single : A 82 THR OG1 : rot 140:sc= 0.755 USER MOD Single : A 84 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.8!) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -0.015 (180deg=-0.169) USER MOD Single : A 91 CYS SG : rot 54:sc= 0.178 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -4.8! C(o=-4.8!,f=-5.2!) USER MOD Single : A 105 MET CE :methyl 147:sc= -0.339 (180deg=-1.31) USER MOD Single : A 140 HIS : no HD1:sc= -0.866 K(o=-0.87,f=0.025) USER MOD Single : A 143 CYS SG : rot -120:sc= -1.61 USER MOD Single : A 145 ASN : amide:sc=-0.00468 X(o=-0.0047,f=0) USER MOD Single : A 147 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.8!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 10.905 -6.870 -2.067 1.00 0.00 N ATOM 235 CA THR A 19 9.778 -6.472 -2.901 1.00 0.00 C ATOM 236 C THR A 19 8.499 -7.183 -2.472 1.00 0.00 C ATOM 237 O THR A 19 7.593 -6.567 -1.909 1.00 0.00 O ATOM 238 CB THR A 19 10.046 -6.774 -4.388 1.00 0.00 C ATOM 239 OG1 THR A 19 8.844 -7.230 -5.019 1.00 0.00 O ATOM 240 CG2 THR A 19 11.135 -7.825 -4.539 1.00 0.00 C ATOM 0 HA THR A 19 9.653 -5.397 -2.773 1.00 0.00 H new ATOM 0 HB THR A 19 10.382 -5.855 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.022 -7.418 -5.964 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.307 -8.022 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.056 -7.462 -4.083 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.824 -8.745 -4.045 1.00 0.00 H new ATOM 248 N LYS A 20 8.430 -8.482 -2.742 1.00 0.00 N ATOM 249 CA LYS A 20 7.263 -9.278 -2.383 1.00 0.00 C ATOM 250 C LYS A 20 6.863 -9.033 -0.932 1.00 0.00 C ATOM 251 O LYS A 20 7.311 -9.737 -0.027 1.00 0.00 O ATOM 252 CB LYS A 20 7.547 -10.766 -2.601 1.00 0.00 C ATOM 253 CG LYS A 20 7.164 -11.262 -3.984 1.00 0.00 C ATOM 254 CD LYS A 20 8.164 -10.813 -5.035 1.00 0.00 C ATOM 255 CE LYS A 20 8.049 -11.643 -6.305 1.00 0.00 C ATOM 256 NZ LYS A 20 6.683 -11.573 -6.891 1.00 0.00 N ATOM 0 H LYS A 20 9.170 -9.006 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 20 6.436 -8.975 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.609 -10.952 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.004 -11.344 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.106 -12.350 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.172 -10.891 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.999 -9.762 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.175 -10.895 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.776 -11.291 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.297 -12.681 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.733 -11.767 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.072 -12.280 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.288 -10.623 -6.738 1.00 0.00 H new ATOM 270 N PHE A 21 6.016 -8.032 -0.717 1.00 0.00 N ATOM 271 CA PHE A 21 5.555 -7.695 0.625 1.00 0.00 C ATOM 272 C PHE A 21 4.313 -8.502 0.992 1.00 0.00 C ATOM 273 O PHE A 21 3.260 -8.361 0.370 1.00 0.00 O ATOM 274 CB PHE A 21 5.251 -6.198 0.722 1.00 0.00 C ATOM 275 CG PHE A 21 6.338 -5.328 0.158 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.539 -5.172 0.833 1.00 0.00 C ATOM 277 CD2 PHE A 21 6.160 -4.667 -1.046 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.541 -4.372 0.317 1.00 0.00 C ATOM 279 CE2 PHE A 21 7.159 -3.866 -1.567 1.00 0.00 C ATOM 280 CZ PHE A 21 8.350 -3.718 -0.885 1.00 0.00 C ATOM 0 H PHE A 21 5.635 -7.440 -1.455 1.00 0.00 H new ATOM 0 HA PHE A 21 6.350 -7.944 1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.320 -5.990 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.092 -5.935 1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.693 -5.681 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.230 -4.779 -1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.472 -4.258 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.008 -3.356 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.131 -3.092 -1.290 1.00 0.00 H new ATOM 290 N LYS A 22 4.444 -9.349 2.008 1.00 0.00 N ATOM 291 CA LYS A 22 3.335 -10.179 2.460 1.00 0.00 C ATOM 292 C LYS A 22 2.265 -9.333 3.143 1.00 0.00 C ATOM 293 O LYS A 22 2.438 -8.895 4.281 1.00 0.00 O ATOM 294 CB LYS A 22 3.837 -11.258 3.422 1.00 0.00 C ATOM 295 CG LYS A 22 4.925 -12.139 2.833 1.00 0.00 C ATOM 296 CD LYS A 22 4.339 -13.312 2.067 1.00 0.00 C ATOM 297 CE LYS A 22 5.404 -14.343 1.725 1.00 0.00 C ATOM 298 NZ LYS A 22 5.831 -15.118 2.923 1.00 0.00 N ATOM 0 H LYS A 22 5.308 -9.478 2.534 1.00 0.00 H new ATOM 0 HA LYS A 22 2.893 -10.657 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.217 -10.780 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.997 -11.884 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.554 -11.547 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.567 -12.509 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.555 -13.781 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.872 -12.952 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.018 -15.027 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.268 -13.842 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.398 -15.936 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.402 -14.510 3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.991 -15.449 3.440 1.00 0.00 H new ATOM 312 N VAL A 23 1.159 -9.107 2.442 1.00 0.00 N ATOM 313 CA VAL A 23 0.060 -8.315 2.982 1.00 0.00 C ATOM 314 C VAL A 23 -1.100 -9.206 3.413 1.00 0.00 C ATOM 315 O VAL A 23 -1.129 -10.399 3.107 1.00 0.00 O ATOM 316 CB VAL A 23 -0.451 -7.289 1.953 1.00 0.00 C ATOM 317 CG1 VAL A 23 0.696 -6.434 1.436 1.00 0.00 C ATOM 318 CG2 VAL A 23 -1.161 -7.994 0.806 1.00 0.00 C ATOM 0 H VAL A 23 1.000 -9.461 1.499 1.00 0.00 H new ATOM 0 HA VAL A 23 0.450 -7.785 3.851 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.168 -6.632 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.316 -5.715 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.156 -5.901 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.439 -7.073 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.516 -7.254 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.468 -8.675 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.009 -8.558 1.195 1.00 0.00 H new ATOM 328 N THR A 24 -2.056 -8.620 4.127 1.00 0.00 N ATOM 329 CA THR A 24 -3.218 -9.360 4.602 1.00 0.00 C ATOM 330 C THR A 24 -4.492 -8.535 4.458 1.00 0.00 C ATOM 331 O THR A 24 -4.729 -7.604 5.226 1.00 0.00 O ATOM 332 CB THR A 24 -3.054 -9.779 6.075 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.825 -10.493 6.247 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.219 -10.648 6.524 1.00 0.00 C ATOM 0 H THR A 24 -2.048 -7.634 4.389 1.00 0.00 H new ATOM 0 HA THR A 24 -3.297 -10.255 3.985 1.00 0.00 H new ATOM 0 HB THR A 24 -3.038 -8.877 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.727 -10.755 7.186 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.081 -10.931 7.567 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.150 -10.091 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.262 -11.546 5.907 1.00 0.00 H new ATOM 342 N ASN A 25 -5.309 -8.884 3.470 1.00 0.00 N ATOM 343 CA ASN A 25 -6.560 -8.175 3.226 1.00 0.00 C ATOM 344 C ASN A 25 -7.459 -8.219 4.458 1.00 0.00 C ATOM 345 O ASN A 25 -7.769 -9.293 4.976 1.00 0.00 O ATOM 346 CB ASN A 25 -7.290 -8.782 2.026 1.00 0.00 C ATOM 347 CG ASN A 25 -8.544 -8.012 1.662 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.653 -8.543 1.727 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.373 -6.753 1.275 1.00 0.00 N ATOM 0 H ASN A 25 -5.128 -9.653 2.825 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.322 -7.134 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.618 -8.803 1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.554 -9.816 2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.180 -6.185 1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.435 -6.354 1.236 1.00 0.00 H new ATOM 356 N VAL A 26 -7.876 -7.046 4.922 1.00 0.00 N ATOM 357 CA VAL A 26 -8.742 -6.950 6.092 1.00 0.00 C ATOM 358 C VAL A 26 -10.003 -6.153 5.778 1.00 0.00 C ATOM 359 O VAL A 26 -10.196 -5.694 4.653 1.00 0.00 O ATOM 360 CB VAL A 26 -8.012 -6.290 7.277 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.749 -7.063 7.624 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.689 -4.837 6.961 1.00 0.00 C ATOM 0 H VAL A 26 -7.628 -6.148 4.506 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.018 -7.968 6.366 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.671 -6.311 8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.247 -6.582 8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.011 -8.085 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.082 -7.077 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.173 -4.386 7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.049 -4.790 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.613 -4.293 6.767 1.00 0.00 H new ATOM 372 N ASP A 27 -10.859 -5.993 6.782 1.00 0.00 N ATOM 373 CA ASP A 27 -12.103 -5.250 6.614 1.00 0.00 C ATOM 374 C ASP A 27 -11.996 -3.863 7.240 1.00 0.00 C ATOM 375 O ASP A 27 -10.964 -3.505 7.809 1.00 0.00 O ATOM 376 CB ASP A 27 -13.268 -6.017 7.240 1.00 0.00 C ATOM 377 CG ASP A 27 -13.478 -5.662 8.699 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.599 -5.992 9.522 1.00 0.00 O ATOM 379 OD2 ASP A 27 -14.522 -5.055 9.018 1.00 0.00 O ATOM 0 H ASP A 27 -10.714 -6.367 7.720 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.287 -5.134 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.180 -5.805 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.083 -7.088 7.153 1.00 0.00 H new ATOM 384 N ASP A 28 -13.067 -3.085 7.130 1.00 0.00 N ATOM 385 CA ASP A 28 -13.094 -1.737 7.685 1.00 0.00 C ATOM 386 C ASP A 28 -12.536 -1.723 9.105 1.00 0.00 C ATOM 387 O ASP A 28 -11.770 -0.832 9.471 1.00 0.00 O ATOM 388 CB ASP A 28 -14.522 -1.189 7.680 1.00 0.00 C ATOM 389 CG ASP A 28 -15.546 -2.238 8.066 1.00 0.00 C ATOM 390 OD1 ASP A 28 -15.608 -2.595 9.261 1.00 0.00 O ATOM 391 OD2 ASP A 28 -16.286 -2.702 7.173 1.00 0.00 O ATOM 0 H ASP A 28 -13.929 -3.365 6.661 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.467 -1.101 7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.588 -0.349 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.757 -0.804 6.688 1.00 0.00 H new ATOM 396 N GLU A 29 -12.926 -2.715 9.899 1.00 0.00 N ATOM 397 CA GLU A 29 -12.465 -2.815 11.279 1.00 0.00 C ATOM 398 C GLU A 29 -10.990 -3.202 11.333 1.00 0.00 C ATOM 399 O GLU A 29 -10.181 -2.522 11.964 1.00 0.00 O ATOM 400 CB GLU A 29 -13.301 -3.840 12.047 1.00 0.00 C ATOM 401 CG GLU A 29 -14.689 -3.342 12.413 1.00 0.00 C ATOM 402 CD GLU A 29 -14.664 -2.304 13.518 1.00 0.00 C ATOM 403 OE1 GLU A 29 -14.409 -2.681 14.681 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.899 -1.114 13.219 1.00 0.00 O ATOM 0 H GLU A 29 -13.560 -3.460 9.611 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.584 -1.837 11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.396 -4.744 11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.772 -4.118 12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.162 -2.915 11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.303 -4.186 12.727 1.00 0.00 H new ATOM 411 N GLY A 30 -10.647 -4.300 10.667 1.00 0.00 N ATOM 412 CA GLY A 30 -9.271 -4.760 10.653 1.00 0.00 C ATOM 413 C GLY A 30 -9.156 -6.254 10.879 1.00 0.00 C ATOM 414 O GLY A 30 -8.175 -6.729 11.451 1.00 0.00 O ATOM 0 H GLY A 30 -11.298 -4.879 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.816 -4.504 9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.708 -4.235 11.424 1.00 0.00 H new ATOM 418 N VAL A 31 -10.163 -6.998 10.432 1.00 0.00 N ATOM 419 CA VAL A 31 -10.172 -8.447 10.590 1.00 0.00 C ATOM 420 C VAL A 31 -9.494 -9.133 9.409 1.00 0.00 C ATOM 421 O VAL A 31 -9.906 -8.963 8.262 1.00 0.00 O ATOM 422 CB VAL A 31 -11.607 -8.988 10.729 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.590 -10.488 10.982 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.345 -8.260 11.843 1.00 0.00 C ATOM 0 H VAL A 31 -10.983 -6.621 9.957 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.618 -8.669 11.502 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.137 -8.807 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.613 -10.852 11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.102 -10.992 10.148 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.043 -10.696 11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.357 -8.655 11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.818 -8.408 12.786 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.389 -7.195 11.615 1.00 0.00 H new ATOM 434 N GLU A 32 -8.454 -9.908 9.698 1.00 0.00 N ATOM 435 CA GLU A 32 -7.719 -10.619 8.658 1.00 0.00 C ATOM 436 C GLU A 32 -8.646 -11.540 7.871 1.00 0.00 C ATOM 437 O GLU A 32 -9.140 -12.539 8.395 1.00 0.00 O ATOM 438 CB GLU A 32 -6.578 -11.431 9.274 1.00 0.00 C ATOM 439 CG GLU A 32 -5.590 -10.590 10.065 1.00 0.00 C ATOM 440 CD GLU A 32 -4.467 -11.415 10.662 1.00 0.00 C ATOM 441 OE1 GLU A 32 -4.697 -12.067 11.702 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.358 -11.410 10.088 1.00 0.00 O ATOM 0 H GLU A 32 -8.101 -10.060 10.643 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.301 -9.881 7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.999 -12.194 9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.044 -11.952 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.167 -9.825 9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.119 -10.071 10.864 1.00 0.00 H new ATOM 449 N LEU A 33 -8.879 -11.197 6.609 1.00 0.00 N ATOM 450 CA LEU A 33 -9.747 -11.993 5.747 1.00 0.00 C ATOM 451 C LEU A 33 -8.936 -13.000 4.938 1.00 0.00 C ATOM 452 O LEU A 33 -9.093 -14.210 5.098 1.00 0.00 O ATOM 453 CB LEU A 33 -10.536 -11.082 4.805 1.00 0.00 C ATOM 454 CG LEU A 33 -11.448 -10.053 5.474 1.00 0.00 C ATOM 455 CD1 LEU A 33 -12.010 -9.088 4.442 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.573 -10.747 6.227 1.00 0.00 C ATOM 0 H LEU A 33 -8.479 -10.373 6.160 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.444 -12.541 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.828 -10.551 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.145 -11.708 4.152 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.857 -9.483 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.657 -8.363 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.191 -8.566 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.586 -9.642 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.212 -9.999 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.163 -11.343 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.151 -11.397 6.994 1.00 0.00 H new ATOM 468 N GLY A 34 -8.067 -12.492 4.070 1.00 0.00 N ATOM 469 CA GLY A 34 -7.243 -13.361 3.250 1.00 0.00 C ATOM 470 C GLY A 34 -5.802 -12.895 3.179 1.00 0.00 C ATOM 471 O GLY A 34 -5.521 -11.703 3.300 1.00 0.00 O ATOM 0 H GLY A 34 -7.919 -11.494 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.275 -14.373 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.657 -13.406 2.243 1.00 0.00 H new ATOM 475 N SER A 35 -4.886 -13.839 2.983 1.00 0.00 N ATOM 476 CA SER A 35 -3.465 -13.519 2.901 1.00 0.00 C ATOM 477 C SER A 35 -2.979 -13.569 1.456 1.00 0.00 C ATOM 478 O SER A 35 -3.399 -14.424 0.677 1.00 0.00 O ATOM 479 CB SER A 35 -2.652 -14.491 3.758 1.00 0.00 C ATOM 480 OG SER A 35 -2.903 -15.835 3.383 1.00 0.00 O ATOM 0 H SER A 35 -5.102 -14.830 2.878 1.00 0.00 H new ATOM 0 HA SER A 35 -3.324 -12.506 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.589 -14.273 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.903 -14.351 4.809 1.00 0.00 H new ATOM 0 HG SER A 35 -2.370 -16.436 3.944 1.00 0.00 H new ATOM 486 N GLY A 36 -2.091 -12.645 1.104 1.00 0.00 N ATOM 487 CA GLY A 36 -1.562 -12.600 -0.246 1.00 0.00 C ATOM 488 C GLY A 36 -0.233 -11.875 -0.325 1.00 0.00 C ATOM 489 O GLY A 36 0.157 -11.176 0.610 1.00 0.00 O ATOM 0 H GLY A 36 -1.728 -11.926 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.440 -13.617 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.281 -12.105 -0.898 1.00 0.00 H new ATOM 493 N VAL A 37 0.466 -12.043 -1.443 1.00 0.00 N ATOM 494 CA VAL A 37 1.760 -11.400 -1.640 1.00 0.00 C ATOM 495 C VAL A 37 1.635 -10.181 -2.547 1.00 0.00 C ATOM 496 O VAL A 37 1.157 -10.281 -3.676 1.00 0.00 O ATOM 497 CB VAL A 37 2.785 -12.376 -2.248 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.183 -11.779 -2.201 1.00 0.00 C ATOM 499 CG2 VAL A 37 2.742 -13.713 -1.523 1.00 0.00 C ATOM 0 H VAL A 37 0.158 -12.619 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 37 2.110 -11.084 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 37 2.524 -12.547 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.894 -12.482 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.201 -10.849 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.458 -11.577 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.472 -14.390 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.978 -13.563 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.745 -14.144 -1.614 1.00 0.00 H new ATOM 509 N MET A 38 2.068 -9.030 -2.044 1.00 0.00 N ATOM 510 CA MET A 38 2.007 -7.790 -2.810 1.00 0.00 C ATOM 511 C MET A 38 3.355 -7.481 -3.452 1.00 0.00 C ATOM 512 O MET A 38 4.372 -7.382 -2.766 1.00 0.00 O ATOM 513 CB MET A 38 1.580 -6.630 -1.909 1.00 0.00 C ATOM 514 CG MET A 38 1.374 -5.323 -2.658 1.00 0.00 C ATOM 515 SD MET A 38 0.575 -4.062 -1.647 1.00 0.00 S ATOM 516 CE MET A 38 -1.150 -4.378 -2.011 1.00 0.00 C ATOM 0 H MET A 38 2.465 -8.930 -1.110 1.00 0.00 H new ATOM 0 HA MET A 38 1.268 -7.917 -3.601 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.654 -6.898 -1.400 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.336 -6.482 -1.138 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.339 -4.950 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.769 -5.509 -3.546 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.773 -3.675 -1.458 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.325 -4.255 -3.080 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.403 -5.397 -1.717 1.00 0.00 H new ATOM 526 N GLU A 39 3.355 -7.329 -4.773 1.00 0.00 N ATOM 527 CA GLU A 39 4.580 -7.032 -5.507 1.00 0.00 C ATOM 528 C GLU A 39 4.474 -5.687 -6.220 1.00 0.00 C ATOM 529 O GLU A 39 3.389 -5.271 -6.629 1.00 0.00 O ATOM 530 CB GLU A 39 4.873 -8.138 -6.523 1.00 0.00 C ATOM 531 CG GLU A 39 6.037 -7.823 -7.447 1.00 0.00 C ATOM 532 CD GLU A 39 6.095 -8.747 -8.648 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.030 -9.015 -9.242 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.205 -9.202 -8.994 1.00 0.00 O ATOM 0 H GLU A 39 2.522 -7.407 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 39 5.399 -6.981 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.085 -9.064 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.981 -8.314 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.955 -6.792 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.970 -7.900 -6.889 1.00 0.00 H new ATOM 541 N LEU A 40 5.608 -5.010 -6.365 1.00 0.00 N ATOM 542 CA LEU A 40 5.645 -3.711 -7.028 1.00 0.00 C ATOM 543 C LEU A 40 6.687 -3.697 -8.141 1.00 0.00 C ATOM 544 O LEU A 40 7.891 -3.713 -7.881 1.00 0.00 O ATOM 545 CB LEU A 40 5.951 -2.608 -6.013 1.00 0.00 C ATOM 546 CG LEU A 40 4.742 -1.984 -5.315 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.413 -2.741 -4.038 1.00 0.00 C ATOM 548 CD2 LEU A 40 4.999 -0.514 -5.015 1.00 0.00 C ATOM 0 H LEU A 40 6.514 -5.339 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 40 4.666 -3.528 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.614 -3.017 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.500 -1.816 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 40 3.885 -2.053 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.550 -2.282 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.185 -3.779 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.268 -2.705 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.128 -0.086 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.869 -0.422 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.184 0.021 -5.947 1.00 0.00 H new ATOM 560 N THR A 41 6.217 -3.665 -9.384 1.00 0.00 N ATOM 561 CA THR A 41 7.108 -3.648 -10.538 1.00 0.00 C ATOM 562 C THR A 41 7.106 -2.281 -11.213 1.00 0.00 C ATOM 563 O THR A 41 6.066 -1.630 -11.313 1.00 0.00 O ATOM 564 CB THR A 41 6.710 -4.719 -11.571 1.00 0.00 C ATOM 565 OG1 THR A 41 5.385 -4.468 -12.052 1.00 0.00 O ATOM 566 CG2 THR A 41 6.778 -6.111 -10.960 1.00 0.00 C ATOM 0 H THR A 41 5.224 -3.650 -9.618 1.00 0.00 H new ATOM 0 HA THR A 41 8.110 -3.866 -10.168 1.00 0.00 H new ATOM 0 HB THR A 41 7.413 -4.669 -12.403 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.951 -3.799 -11.482 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.493 -6.851 -11.708 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.795 -6.310 -10.621 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.095 -6.170 -10.112 1.00 0.00 H new ATOM 574 N GLN A 42 8.276 -1.854 -11.677 1.00 0.00 N ATOM 575 CA GLN A 42 8.408 -0.563 -12.343 1.00 0.00 C ATOM 576 C GLN A 42 7.203 -0.287 -13.238 1.00 0.00 C ATOM 577 O GLN A 42 6.723 0.843 -13.317 1.00 0.00 O ATOM 578 CB GLN A 42 9.693 -0.522 -13.171 1.00 0.00 C ATOM 579 CG GLN A 42 9.813 0.714 -14.048 1.00 0.00 C ATOM 580 CD GLN A 42 9.168 0.529 -15.408 1.00 0.00 C ATOM 581 OE1 GLN A 42 8.245 1.257 -15.774 1.00 0.00 O ATOM 582 NE2 GLN A 42 9.652 -0.449 -16.165 1.00 0.00 N ATOM 0 H GLN A 42 9.145 -2.382 -11.604 1.00 0.00 H new ATOM 0 HA GLN A 42 8.453 0.211 -11.576 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.550 -0.565 -12.499 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.738 -1.410 -13.801 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.349 1.560 -13.542 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.867 0.960 -14.180 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.418 -1.028 -15.822 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.258 -0.621 -17.090 1.00 0.00 H new ATOM 591 N SER A 43 6.721 -1.328 -13.910 1.00 0.00 N ATOM 592 CA SER A 43 5.576 -1.196 -14.802 1.00 0.00 C ATOM 593 C SER A 43 4.341 -0.731 -14.037 1.00 0.00 C ATOM 594 O SER A 43 3.935 0.426 -14.138 1.00 0.00 O ATOM 595 CB SER A 43 5.287 -2.529 -15.496 1.00 0.00 C ATOM 596 OG SER A 43 6.290 -2.836 -16.449 1.00 0.00 O ATOM 0 H SER A 43 7.106 -2.271 -13.853 1.00 0.00 H new ATOM 0 HA SER A 43 5.819 -0.447 -15.555 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.231 -3.325 -14.753 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.315 -2.483 -15.988 1.00 0.00 H new ATOM 0 HG SER A 43 6.083 -3.693 -16.877 1.00 0.00 H new ATOM 602 N GLU A 44 3.749 -1.642 -13.271 1.00 0.00 N ATOM 603 CA GLU A 44 2.560 -1.325 -12.489 1.00 0.00 C ATOM 604 C GLU A 44 2.534 -2.126 -11.190 1.00 0.00 C ATOM 605 O GLU A 44 3.439 -2.915 -10.915 1.00 0.00 O ATOM 606 CB GLU A 44 1.296 -1.611 -13.302 1.00 0.00 C ATOM 607 CG GLU A 44 1.080 -3.087 -13.593 1.00 0.00 C ATOM 608 CD GLU A 44 1.814 -3.550 -14.836 1.00 0.00 C ATOM 609 OE1 GLU A 44 1.267 -3.382 -15.946 1.00 0.00 O ATOM 610 OE2 GLU A 44 2.936 -4.081 -14.698 1.00 0.00 O ATOM 0 H GLU A 44 4.073 -2.604 -13.175 1.00 0.00 H new ATOM 0 HA GLU A 44 2.592 -0.264 -12.242 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.432 -1.226 -12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.350 -1.068 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.414 -3.675 -12.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.014 -3.277 -13.713 1.00 0.00 H new ATOM 617 N LEU A 45 1.491 -1.918 -10.394 1.00 0.00 N ATOM 618 CA LEU A 45 1.346 -2.619 -9.123 1.00 0.00 C ATOM 619 C LEU A 45 0.668 -3.971 -9.322 1.00 0.00 C ATOM 620 O LEU A 45 -0.386 -4.062 -9.950 1.00 0.00 O ATOM 621 CB LEU A 45 0.539 -1.771 -8.139 1.00 0.00 C ATOM 622 CG LEU A 45 0.890 -1.941 -6.661 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.287 -0.815 -5.836 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.413 -3.293 -6.151 1.00 0.00 C ATOM 0 H LEU A 45 0.733 -1.269 -10.606 1.00 0.00 H new ATOM 0 HA LEU A 45 2.342 -2.789 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.668 -0.722 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.517 -2.005 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 45 1.974 -1.899 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.548 -0.953 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.678 0.141 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.798 -0.825 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.672 -3.396 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.668 -3.365 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.894 -4.087 -6.722 1.00 0.00 H new ATOM 636 N VAL A 46 1.280 -5.019 -8.780 1.00 0.00 N ATOM 637 CA VAL A 46 0.735 -6.366 -8.894 1.00 0.00 C ATOM 638 C VAL A 46 0.459 -6.966 -7.520 1.00 0.00 C ATOM 639 O VAL A 46 1.191 -6.714 -6.562 1.00 0.00 O ATOM 640 CB VAL A 46 1.691 -7.296 -9.665 1.00 0.00 C ATOM 641 CG1 VAL A 46 1.022 -8.632 -9.951 1.00 0.00 C ATOM 642 CG2 VAL A 46 2.151 -6.634 -10.955 1.00 0.00 C ATOM 0 H VAL A 46 2.154 -4.961 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.201 -6.282 -9.445 1.00 0.00 H new ATOM 0 HB VAL A 46 2.568 -7.482 -9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.713 -9.275 -10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.747 -9.110 -9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.127 -8.470 -10.551 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.826 -7.304 -11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.286 -6.417 -11.581 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.672 -5.705 -10.722 1.00 0.00 H new ATOM 652 N LEU A 47 -0.601 -7.762 -7.429 1.00 0.00 N ATOM 653 CA LEU A 47 -0.974 -8.400 -6.171 1.00 0.00 C ATOM 654 C LEU A 47 -1.267 -9.882 -6.378 1.00 0.00 C ATOM 655 O LEU A 47 -2.236 -10.247 -7.044 1.00 0.00 O ATOM 656 CB LEU A 47 -2.196 -7.706 -5.568 1.00 0.00 C ATOM 657 CG LEU A 47 -2.304 -7.742 -4.043 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.720 -7.410 -3.600 1.00 0.00 C ATOM 659 CD2 LEU A 47 -1.883 -9.105 -3.511 1.00 0.00 C ATOM 0 H LEU A 47 -1.217 -7.981 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.134 -8.308 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.191 -6.664 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.092 -8.164 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.631 -6.989 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.777 -7.441 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.986 -6.412 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.413 -8.139 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.966 -9.113 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.531 -9.875 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.850 -9.304 -3.797 1.00 0.00 H new ATOM 671 N HIS A 48 -0.424 -10.733 -5.802 1.00 0.00 N ATOM 672 CA HIS A 48 -0.594 -12.177 -5.921 1.00 0.00 C ATOM 673 C HIS A 48 -1.368 -12.733 -4.729 1.00 0.00 C ATOM 674 O HIS A 48 -1.045 -12.443 -3.576 1.00 0.00 O ATOM 675 CB HIS A 48 0.767 -12.865 -6.026 1.00 0.00 C ATOM 676 CG HIS A 48 1.526 -12.505 -7.265 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.276 -13.077 -8.494 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.534 -11.622 -7.461 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.098 -12.564 -9.392 1.00 0.00 C ATOM 680 NE2 HIS A 48 2.872 -11.678 -8.791 1.00 0.00 N ATOM 0 H HIS A 48 0.384 -10.448 -5.248 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.165 -12.377 -6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.366 -12.602 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.622 -13.945 -6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.988 -10.991 -6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.132 -12.825 -10.440 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.602 -11.126 -9.241 1.00 0.00 H new ATOM 689 N LEU A 49 -2.390 -13.531 -5.014 1.00 0.00 N ATOM 690 CA LEU A 49 -3.211 -14.128 -3.966 1.00 0.00 C ATOM 691 C LEU A 49 -3.315 -15.638 -4.148 1.00 0.00 C ATOM 692 O LEU A 49 -3.473 -16.130 -5.266 1.00 0.00 O ATOM 693 CB LEU A 49 -4.608 -13.505 -3.969 1.00 0.00 C ATOM 694 CG LEU A 49 -4.663 -11.978 -4.019 1.00 0.00 C ATOM 695 CD1 LEU A 49 -4.633 -11.489 -5.459 1.00 0.00 C ATOM 696 CD2 LEU A 49 -5.905 -11.465 -3.305 1.00 0.00 C ATOM 0 H LEU A 49 -2.671 -13.780 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.733 -13.929 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.156 -13.896 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.134 -13.838 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.785 -11.585 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.673 -10.400 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.714 -11.825 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.491 -11.891 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.927 -10.376 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.795 -11.867 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.883 -11.784 -2.263 1.00 0.00 H new ATOM 789 N ALA A 54 -4.755 -12.666 -10.429 1.00 0.00 N ATOM 790 CA ALA A 54 -3.725 -11.656 -10.221 1.00 0.00 C ATOM 791 C ALA A 54 -4.198 -10.284 -10.690 1.00 0.00 C ATOM 792 O ALA A 54 -4.379 -10.054 -11.885 1.00 0.00 O ATOM 793 CB ALA A 54 -2.445 -12.051 -10.944 1.00 0.00 C ATOM 0 HA ALA A 54 -3.522 -11.595 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.684 -11.288 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.089 -13.006 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.644 -12.142 -12.012 1.00 0.00 H new ATOM 799 N VAL A 55 -4.397 -9.376 -9.740 1.00 0.00 N ATOM 800 CA VAL A 55 -4.849 -8.026 -10.056 1.00 0.00 C ATOM 801 C VAL A 55 -3.670 -7.109 -10.361 1.00 0.00 C ATOM 802 O VAL A 55 -2.555 -7.337 -9.891 1.00 0.00 O ATOM 803 CB VAL A 55 -5.668 -7.423 -8.899 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.202 -6.051 -9.281 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.803 -8.357 -8.507 1.00 0.00 C ATOM 0 H VAL A 55 -4.252 -9.551 -8.745 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.483 -8.103 -10.939 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.013 -7.303 -8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.778 -5.641 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.368 -5.386 -9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.843 -6.141 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.371 -7.915 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.460 -8.511 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.392 -9.315 -8.188 1.00 0.00 H new ATOM 815 N ARG A 56 -3.924 -6.072 -11.152 1.00 0.00 N ATOM 816 CA ARG A 56 -2.883 -5.120 -11.521 1.00 0.00 C ATOM 817 C ARG A 56 -3.405 -3.688 -11.448 1.00 0.00 C ATOM 818 O ARG A 56 -4.393 -3.344 -12.096 1.00 0.00 O ATOM 819 CB ARG A 56 -2.369 -5.416 -12.932 1.00 0.00 C ATOM 820 CG ARG A 56 -1.462 -6.633 -13.006 1.00 0.00 C ATOM 821 CD ARG A 56 -1.528 -7.293 -14.375 1.00 0.00 C ATOM 822 NE ARG A 56 -0.349 -8.113 -14.644 1.00 0.00 N ATOM 823 CZ ARG A 56 0.842 -7.610 -14.945 1.00 0.00 C ATOM 824 NH1 ARG A 56 1.013 -6.297 -15.015 1.00 0.00 N ATOM 825 NH2 ARG A 56 1.867 -8.420 -15.177 1.00 0.00 N ATOM 0 H ARG A 56 -4.841 -5.870 -11.550 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.061 -5.225 -10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.220 -5.567 -13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.827 -4.546 -13.302 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.435 -6.337 -12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.752 -7.352 -12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.422 -7.913 -14.436 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.619 -6.526 -15.144 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.446 -9.127 -14.598 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.228 -5.670 -14.837 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.929 -5.914 -15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.740 -9.431 -15.124 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.782 -8.032 -15.408 1.00 0.00 H new ATOM 839 N TRP A 57 -2.735 -2.859 -10.656 1.00 0.00 N ATOM 840 CA TRP A 57 -3.131 -1.465 -10.498 1.00 0.00 C ATOM 841 C TRP A 57 -2.005 -0.527 -10.918 1.00 0.00 C ATOM 842 O TRP A 57 -0.973 -0.422 -10.253 1.00 0.00 O ATOM 843 CB TRP A 57 -3.529 -1.187 -9.047 1.00 0.00 C ATOM 844 CG TRP A 57 -4.688 -2.015 -8.580 1.00 0.00 C ATOM 845 CD1 TRP A 57 -5.981 -1.932 -9.013 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.659 -3.048 -7.590 1.00 0.00 C ATOM 847 NE1 TRP A 57 -6.757 -2.852 -8.350 1.00 0.00 N ATOM 848 CE2 TRP A 57 -5.970 -3.550 -7.473 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.653 -3.600 -6.792 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.299 -4.575 -6.590 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -3.981 -4.617 -5.916 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.294 -5.097 -5.821 1.00 0.00 C ATOM 0 H TRP A 57 -1.915 -3.128 -10.113 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.990 -1.283 -11.144 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.672 -1.376 -8.400 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.780 -0.132 -8.942 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.340 -1.245 -9.765 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.758 -2.992 -8.489 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.638 -3.238 -6.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.311 -4.945 -6.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.212 -5.050 -5.294 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.517 -5.894 -5.128 1.00 0.00 H new ATOM 863 N PRO A 58 -2.203 0.171 -12.046 1.00 0.00 N ATOM 864 CA PRO A 58 -1.214 1.112 -12.578 1.00 0.00 C ATOM 865 C PRO A 58 -1.078 2.361 -11.713 1.00 0.00 C ATOM 866 O PRO A 58 -2.075 2.947 -11.291 1.00 0.00 O ATOM 867 CB PRO A 58 -1.774 1.475 -13.956 1.00 0.00 C ATOM 868 CG PRO A 58 -3.242 1.248 -13.839 1.00 0.00 C ATOM 869 CD PRO A 58 -3.408 0.095 -12.888 1.00 0.00 C ATOM 0 HA PRO A 58 -0.215 0.678 -12.610 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.553 2.511 -14.213 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.338 0.852 -14.737 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.746 2.139 -13.464 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.680 1.019 -14.810 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.318 0.190 -12.296 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.469 -0.856 -13.417 1.00 0.00 H new ATOM 877 N TYR A 59 0.161 2.763 -11.453 1.00 0.00 N ATOM 878 CA TYR A 59 0.427 3.941 -10.637 1.00 0.00 C ATOM 879 C TYR A 59 -0.124 5.199 -11.300 1.00 0.00 C ATOM 880 O TYR A 59 -0.706 6.061 -10.639 1.00 0.00 O ATOM 881 CB TYR A 59 1.930 4.094 -10.398 1.00 0.00 C ATOM 882 CG TYR A 59 2.628 2.790 -10.082 1.00 0.00 C ATOM 883 CD1 TYR A 59 2.174 1.967 -9.059 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.742 2.382 -10.805 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.809 0.775 -8.766 1.00 0.00 C ATOM 886 CE2 TYR A 59 4.383 1.192 -10.520 1.00 0.00 C ATOM 887 CZ TYR A 59 3.912 0.392 -9.499 1.00 0.00 C ATOM 888 OH TYR A 59 4.548 -0.794 -9.211 1.00 0.00 O ATOM 0 H TYR A 59 0.997 2.290 -11.796 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.075 3.808 -9.679 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.387 4.536 -11.283 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.090 4.791 -9.575 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.310 2.264 -8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.113 3.006 -11.604 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.443 0.147 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.247 0.890 -11.093 1.00 0.00 H new ATOM 0 HH TYR A 59 4.977 -1.140 -10.021 1.00 0.00 H new ATOM 898 N LEU A 60 0.063 5.299 -12.612 1.00 0.00 N ATOM 899 CA LEU A 60 -0.416 6.451 -13.368 1.00 0.00 C ATOM 900 C LEU A 60 -1.889 6.719 -13.077 1.00 0.00 C ATOM 901 O LEU A 60 -2.360 7.851 -13.197 1.00 0.00 O ATOM 902 CB LEU A 60 -0.213 6.222 -14.866 1.00 0.00 C ATOM 903 CG LEU A 60 -0.561 4.827 -15.386 1.00 0.00 C ATOM 904 CD1 LEU A 60 -1.045 4.898 -16.825 1.00 0.00 C ATOM 905 CD2 LEU A 60 0.641 3.900 -15.271 1.00 0.00 C ATOM 0 H LEU A 60 0.543 4.596 -13.174 1.00 0.00 H new ATOM 0 HA LEU A 60 0.160 7.323 -13.059 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.815 6.951 -15.409 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.830 6.427 -15.106 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.367 4.423 -14.773 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.288 3.895 -17.177 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.934 5.527 -16.879 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.261 5.323 -17.452 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.375 2.911 -15.646 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.467 4.301 -15.859 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.943 3.823 -14.226 1.00 0.00 H new ATOM 917 N CYS A 61 -2.611 5.672 -12.693 1.00 0.00 N ATOM 918 CA CYS A 61 -4.031 5.794 -12.384 1.00 0.00 C ATOM 919 C CYS A 61 -4.244 6.037 -10.893 1.00 0.00 C ATOM 920 O CYS A 61 -5.319 6.466 -10.470 1.00 0.00 O ATOM 921 CB CYS A 61 -4.780 4.534 -12.820 1.00 0.00 C ATOM 922 SG CYS A 61 -4.737 4.230 -14.602 1.00 0.00 S ATOM 0 H CYS A 61 -2.236 4.729 -12.588 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.425 6.649 -12.933 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.353 3.674 -12.305 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.819 4.613 -12.501 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.395 3.142 -14.873 1.00 0.00 H new ATOM 928 N LEU A 62 -3.215 5.759 -10.101 1.00 0.00 N ATOM 929 CA LEU A 62 -3.289 5.945 -8.656 1.00 0.00 C ATOM 930 C LEU A 62 -3.386 7.426 -8.303 1.00 0.00 C ATOM 931 O LEU A 62 -2.410 8.167 -8.419 1.00 0.00 O ATOM 932 CB LEU A 62 -2.065 5.326 -7.979 1.00 0.00 C ATOM 933 CG LEU A 62 -2.050 3.800 -7.885 1.00 0.00 C ATOM 934 CD1 LEU A 62 -0.886 3.330 -7.027 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.369 3.287 -7.325 1.00 0.00 C ATOM 0 H LEU A 62 -2.319 5.404 -10.435 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.187 5.445 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.175 5.645 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.988 5.733 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.922 3.394 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.891 2.241 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.052 3.666 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.983 3.745 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.340 2.199 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.527 3.701 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.186 3.593 -7.979 1.00 0.00 H new ATOM 947 N ARG A 63 -4.568 7.849 -7.868 1.00 0.00 N ATOM 948 CA ARG A 63 -4.792 9.241 -7.496 1.00 0.00 C ATOM 949 C ARG A 63 -4.168 9.548 -6.138 1.00 0.00 C ATOM 950 O ARG A 63 -3.387 10.489 -6.002 1.00 0.00 O ATOM 951 CB ARG A 63 -6.291 9.547 -7.462 1.00 0.00 C ATOM 952 CG ARG A 63 -6.923 9.649 -8.840 1.00 0.00 C ATOM 953 CD ARG A 63 -6.760 11.043 -9.426 1.00 0.00 C ATOM 954 NE ARG A 63 -7.382 11.159 -10.742 1.00 0.00 N ATOM 955 CZ ARG A 63 -6.848 10.666 -11.854 1.00 0.00 C ATOM 956 NH1 ARG A 63 -5.687 10.026 -11.809 1.00 0.00 N ATOM 957 NH2 ARG A 63 -7.474 10.812 -13.014 1.00 0.00 N ATOM 0 H ARG A 63 -5.386 7.248 -7.764 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.316 9.873 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.800 8.767 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.450 10.484 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.466 8.917 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.983 9.402 -8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.203 11.775 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.699 11.282 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.276 11.645 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.202 9.911 -10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.279 9.648 -12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.367 11.303 -13.053 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.063 10.433 -13.867 1.00 0.00 H new ATOM 971 N ARG A 64 -4.519 8.747 -5.137 1.00 0.00 N ATOM 972 CA ARG A 64 -3.994 8.935 -3.790 1.00 0.00 C ATOM 973 C ARG A 64 -3.576 7.600 -3.179 1.00 0.00 C ATOM 974 O ARG A 64 -4.078 6.544 -3.565 1.00 0.00 O ATOM 975 CB ARG A 64 -5.042 9.609 -2.901 1.00 0.00 C ATOM 976 CG ARG A 64 -6.387 8.901 -2.900 1.00 0.00 C ATOM 977 CD ARG A 64 -7.414 9.657 -2.073 1.00 0.00 C ATOM 978 NE ARG A 64 -8.080 10.700 -2.847 1.00 0.00 N ATOM 979 CZ ARG A 64 -9.083 11.436 -2.380 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.532 11.244 -1.147 1.00 0.00 N ATOM 981 NH2 ARG A 64 -9.638 12.366 -3.146 1.00 0.00 N ATOM 0 H ARG A 64 -5.164 7.963 -5.233 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.115 9.577 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.664 9.655 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.182 10.637 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.747 8.799 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.269 7.893 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.158 8.958 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.924 10.104 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.758 10.874 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.107 10.530 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.302 11.810 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.295 12.517 -4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.408 12.930 -2.786 1.00 0.00 H new ATOM 995 N TYR A 65 -2.655 7.656 -2.224 1.00 0.00 N ATOM 996 CA TYR A 65 -2.167 6.452 -1.562 1.00 0.00 C ATOM 997 C TYR A 65 -1.371 6.804 -0.309 1.00 0.00 C ATOM 998 O TYR A 65 -0.450 7.619 -0.353 1.00 0.00 O ATOM 999 CB TYR A 65 -1.298 5.634 -2.519 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.168 6.427 -3.137 1.00 0.00 C ATOM 1001 CD1 TYR A 65 1.050 6.564 -2.484 1.00 0.00 C ATOM 1002 CD2 TYR A 65 -0.319 7.038 -4.376 1.00 0.00 C ATOM 1003 CE1 TYR A 65 2.084 7.288 -3.045 1.00 0.00 C ATOM 1004 CE2 TYR A 65 0.710 7.762 -4.946 1.00 0.00 C ATOM 1005 CZ TYR A 65 1.910 7.884 -4.276 1.00 0.00 C ATOM 1006 OH TYR A 65 2.938 8.605 -4.839 1.00 0.00 O ATOM 0 H TYR A 65 -2.231 8.522 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.030 5.856 -1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.882 4.783 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.926 5.232 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.191 6.096 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.257 6.945 -4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.024 7.387 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.576 8.230 -5.910 1.00 0.00 H new ATOM 0 HH TYR A 65 3.075 8.312 -5.764 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.733 6.181 0.809 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.043 6.441 2.059 1.00 0.00 C ATOM 1018 C GLY A 66 -0.467 5.181 2.676 1.00 0.00 C ATOM 1019 O GLY A 66 -0.428 4.130 2.035 1.00 0.00 O ATOM 0 H GLY A 66 -2.491 5.502 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.240 7.157 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.735 6.903 2.763 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.018 5.286 3.921 1.00 0.00 N ATOM 1024 CA TYR A 67 0.562 4.148 4.623 1.00 0.00 C ATOM 1025 C TYR A 67 0.788 4.473 6.097 1.00 0.00 C ATOM 1026 O TYR A 67 1.239 5.566 6.440 1.00 0.00 O ATOM 1027 CB TYR A 67 1.884 3.740 3.971 1.00 0.00 C ATOM 1028 CG TYR A 67 3.059 4.588 4.404 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.047 5.966 4.231 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.182 4.010 4.983 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.119 6.745 4.624 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.258 4.781 5.380 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.221 6.148 5.198 1.00 0.00 C ATOM 1034 OH TYR A 67 6.291 6.919 5.591 1.00 0.00 O ATOM 0 H TYR A 67 -0.045 6.148 4.465 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.140 3.317 4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.091 2.697 4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.780 3.803 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.185 6.437 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.215 2.940 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.093 7.815 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.123 4.316 5.830 1.00 0.00 H new ATOM 0 HH TYR A 67 6.984 6.344 5.977 1.00 0.00 H new ATOM 1044 N ASP A 68 0.472 3.516 6.962 1.00 0.00 N ATOM 1045 CA ASP A 68 0.641 3.699 8.399 1.00 0.00 C ATOM 1046 C ASP A 68 1.835 2.900 8.911 1.00 0.00 C ATOM 1047 O ASP A 68 2.546 2.261 8.135 1.00 0.00 O ATOM 1048 CB ASP A 68 -0.628 3.275 9.141 1.00 0.00 C ATOM 1049 CG ASP A 68 -0.776 3.972 10.479 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -0.442 5.172 10.563 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.224 3.317 11.444 1.00 0.00 O ATOM 0 H ASP A 68 0.098 2.606 6.694 1.00 0.00 H new ATOM 0 HA ASP A 68 0.826 4.757 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.498 3.495 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.611 2.196 9.296 1.00 0.00 H new ATOM 1056 N SER A 69 2.051 2.943 10.222 1.00 0.00 N ATOM 1057 CA SER A 69 3.163 2.228 10.837 1.00 0.00 C ATOM 1058 C SER A 69 3.190 0.771 10.383 1.00 0.00 C ATOM 1059 O SER A 69 4.200 0.287 9.875 1.00 0.00 O ATOM 1060 CB SER A 69 3.060 2.296 12.362 1.00 0.00 C ATOM 1061 OG SER A 69 2.898 3.633 12.803 1.00 0.00 O ATOM 0 H SER A 69 1.471 3.465 10.878 1.00 0.00 H new ATOM 0 HA SER A 69 4.090 2.707 10.520 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.217 1.694 12.700 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.957 1.868 12.810 1.00 0.00 H new ATOM 0 HG SER A 69 2.833 3.649 13.781 1.00 0.00 H new ATOM 1067 N ASN A 70 2.071 0.079 10.570 1.00 0.00 N ATOM 1068 CA ASN A 70 1.965 -1.322 10.181 1.00 0.00 C ATOM 1069 C ASN A 70 0.697 -1.567 9.368 1.00 0.00 C ATOM 1070 O ASN A 70 0.006 -2.568 9.561 1.00 0.00 O ATOM 1071 CB ASN A 70 1.971 -2.220 11.420 1.00 0.00 C ATOM 1072 CG ASN A 70 3.155 -1.945 12.327 1.00 0.00 C ATOM 1073 OD1 ASN A 70 3.904 -0.992 12.116 1.00 0.00 O ATOM 1074 ND2 ASN A 70 3.328 -2.782 13.343 1.00 0.00 N ATOM 0 H ASN A 70 1.225 0.466 10.988 1.00 0.00 H new ATOM 0 HA ASN A 70 2.827 -1.566 9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.047 -2.071 11.978 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.990 -3.264 11.108 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.107 -2.648 13.987 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.682 -3.559 13.479 1.00 0.00 H new ATOM 1081 N LEU A 71 0.398 -0.647 8.458 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.786 -0.762 7.614 1.00 0.00 C ATOM 1083 C LEU A 71 -0.558 -0.094 6.261 1.00 0.00 C ATOM 1084 O LEU A 71 0.247 0.830 6.141 1.00 0.00 O ATOM 1085 CB LEU A 71 -1.995 -0.132 8.309 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.347 -0.345 7.627 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.851 -1.758 7.870 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.360 0.678 8.121 1.00 0.00 C ATOM 0 H LEU A 71 0.959 0.187 8.286 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.981 -1.821 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.055 -0.530 9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.820 0.940 8.398 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.217 -0.208 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.814 -1.891 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.135 -2.474 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.966 -1.924 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.316 0.512 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.487 0.573 9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.003 1.683 7.893 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.274 -0.566 5.246 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.151 -0.014 3.902 1.00 0.00 C ATOM 1102 C PHE A 72 -2.519 0.108 3.237 1.00 0.00 C ATOM 1103 O PHE A 72 -3.296 -0.846 3.210 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.233 -0.892 3.049 1.00 0.00 C ATOM 1105 CG PHE A 72 -0.147 -0.454 1.615 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.462 0.744 1.278 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.676 -1.239 0.604 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.542 1.150 -0.041 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.599 -0.839 -0.717 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.012 0.357 -1.040 1.00 0.00 C ATOM 0 H PHE A 72 -1.945 -1.329 5.329 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.716 0.982 3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.767 -0.887 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.591 -1.921 3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.879 1.368 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.155 -2.175 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.019 2.087 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.016 -1.461 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.075 0.671 -2.071 1.00 0.00 H new ATOM 1120 N SER A 73 -2.807 1.291 2.701 1.00 0.00 N ATOM 1121 CA SER A 73 -4.082 1.540 2.040 1.00 0.00 C ATOM 1122 C SER A 73 -3.918 2.547 0.905 1.00 0.00 C ATOM 1123 O SER A 73 -3.148 3.502 1.014 1.00 0.00 O ATOM 1124 CB SER A 73 -5.111 2.054 3.048 1.00 0.00 C ATOM 1125 OG SER A 73 -6.333 2.381 2.408 1.00 0.00 O ATOM 0 H SER A 73 -2.174 2.091 2.712 1.00 0.00 H new ATOM 0 HA SER A 73 -4.435 0.599 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.288 1.296 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.717 2.933 3.558 1.00 0.00 H new ATOM 0 HG SER A 73 -6.304 3.312 2.103 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.647 2.326 -0.184 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.582 3.212 -1.340 1.00 0.00 C ATOM 1133 C PHE A 74 -5.915 3.236 -2.081 1.00 0.00 C ATOM 1134 O PHE A 74 -6.739 2.336 -1.927 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.466 2.768 -2.288 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.692 1.407 -2.883 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -3.527 0.265 -2.116 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -4.068 1.271 -4.210 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -3.734 -0.988 -2.661 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -4.276 0.020 -4.760 1.00 0.00 C ATOM 1141 CZ PHE A 74 -4.108 -1.111 -3.985 1.00 0.00 C ATOM 0 H PHE A 74 -5.290 1.541 -0.290 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.366 4.219 -0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.372 3.497 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.520 2.767 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.233 0.355 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.200 2.152 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.603 -1.870 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.570 -0.073 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.269 -2.089 -4.413 1.00 0.00 H new ATOM 1151 N GLU A 75 -6.119 4.275 -2.886 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.353 4.417 -3.651 1.00 0.00 C ATOM 1153 C GLU A 75 -7.115 4.117 -5.128 1.00 0.00 C ATOM 1154 O GLU A 75 -6.171 4.626 -5.732 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.918 5.830 -3.491 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.412 5.921 -3.749 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.745 6.012 -5.225 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -8.889 6.490 -5.998 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.862 5.603 -5.607 1.00 0.00 O ATOM 0 H GLU A 75 -5.447 5.029 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.075 3.698 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.710 6.183 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.398 6.500 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.904 5.047 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.813 6.795 -3.235 1.00 0.00 H new ATOM 1166 N SER A 76 -7.978 3.285 -5.703 1.00 0.00 N ATOM 1167 CA SER A 76 -7.860 2.913 -7.108 1.00 0.00 C ATOM 1168 C SER A 76 -8.655 3.869 -7.992 1.00 0.00 C ATOM 1169 O SER A 76 -9.697 4.384 -7.589 1.00 0.00 O ATOM 1170 CB SER A 76 -8.350 1.479 -7.320 1.00 0.00 C ATOM 1171 OG SER A 76 -9.715 1.348 -6.961 1.00 0.00 O ATOM 0 H SER A 76 -8.766 2.856 -5.218 1.00 0.00 H new ATOM 0 HA SER A 76 -6.808 2.976 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.217 1.196 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.747 0.793 -6.725 1.00 0.00 H new ATOM 0 HG SER A 76 -10.213 0.954 -7.707 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.153 4.103 -9.201 1.00 0.00 N ATOM 1178 CA GLY A 77 -8.827 4.998 -10.124 1.00 0.00 C ATOM 1179 C GLY A 77 -10.137 4.427 -10.631 1.00 0.00 C ATOM 1180 O GLY A 77 -10.707 3.524 -10.019 1.00 0.00 O ATOM 0 H GLY A 77 -7.292 3.689 -9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.016 5.950 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.172 5.203 -10.970 1.00 0.00 H new ATOM 1184 N ARG A 78 -10.616 4.957 -11.752 1.00 0.00 N ATOM 1185 CA ARG A 78 -11.869 4.497 -12.339 1.00 0.00 C ATOM 1186 C ARG A 78 -11.607 3.540 -13.498 1.00 0.00 C ATOM 1187 O ARG A 78 -12.309 2.543 -13.664 1.00 0.00 O ATOM 1188 CB ARG A 78 -12.697 5.688 -12.824 1.00 0.00 C ATOM 1189 CG ARG A 78 -12.751 6.837 -11.831 1.00 0.00 C ATOM 1190 CD ARG A 78 -13.878 6.654 -10.827 1.00 0.00 C ATOM 1191 NE ARG A 78 -14.160 7.882 -10.090 1.00 0.00 N ATOM 1192 CZ ARG A 78 -15.223 8.044 -9.309 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -16.099 7.059 -9.165 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -15.410 9.192 -8.671 1.00 0.00 N ATOM 0 H ARG A 78 -10.156 5.705 -12.271 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.428 3.964 -11.570 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.281 6.050 -13.764 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.713 5.352 -13.034 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.800 6.908 -11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.889 7.776 -12.367 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.779 6.329 -11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.613 5.863 -10.125 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.505 8.659 -10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.958 6.175 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.914 7.185 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.738 9.951 -8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.226 9.315 -8.072 1.00 0.00 H new ATOM 1208 N ARG A 79 -10.592 3.852 -14.298 1.00 0.00 N ATOM 1209 CA ARG A 79 -10.238 3.021 -15.443 1.00 0.00 C ATOM 1210 C ARG A 79 -9.340 1.863 -15.017 1.00 0.00 C ATOM 1211 O ARG A 79 -8.131 1.884 -15.252 1.00 0.00 O ATOM 1212 CB ARG A 79 -9.535 3.860 -16.511 1.00 0.00 C ATOM 1213 CG ARG A 79 -10.489 4.528 -17.487 1.00 0.00 C ATOM 1214 CD ARG A 79 -10.939 3.565 -18.574 1.00 0.00 C ATOM 1215 NE ARG A 79 -9.824 3.117 -19.404 1.00 0.00 N ATOM 1216 CZ ARG A 79 -9.275 3.858 -20.360 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -9.735 5.077 -20.605 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -8.262 3.380 -21.072 1.00 0.00 N ATOM 0 H ARG A 79 -10.001 4.674 -14.174 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.157 2.611 -15.861 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.934 4.626 -16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.847 3.223 -17.067 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.359 4.902 -16.948 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.001 5.390 -17.942 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.420 2.701 -18.116 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.686 4.050 -19.202 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.446 2.184 -19.241 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.512 5.448 -20.059 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.311 5.644 -21.340 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.905 2.443 -20.885 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.841 3.950 -21.806 1.00 0.00 H new ATOM 1232 N CYS A 80 -9.938 0.856 -14.391 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.192 -0.310 -13.931 1.00 0.00 C ATOM 1234 C CYS A 80 -10.132 -1.473 -13.631 1.00 0.00 C ATOM 1235 O CYS A 80 -11.252 -1.272 -13.161 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.378 0.039 -12.684 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.247 1.103 -11.509 1.00 0.00 S ATOM 0 H CYS A 80 -10.937 0.823 -14.190 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.512 -0.613 -14.727 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.093 -0.884 -12.179 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.456 0.532 -12.991 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.416 1.513 -10.597 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.669 -2.688 -13.907 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.470 -3.882 -13.669 1.00 0.00 C ATOM 1245 C GLN A 81 -11.344 -3.714 -12.430 1.00 0.00 C ATOM 1246 O GLN A 81 -12.564 -3.578 -12.531 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.565 -5.105 -13.506 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.317 -6.374 -13.140 1.00 0.00 C ATOM 1249 CD GLN A 81 -10.456 -6.559 -11.642 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -11.509 -6.287 -11.066 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -9.389 -7.023 -11.001 1.00 0.00 N ATOM 0 H GLN A 81 -8.744 -2.871 -14.295 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.119 -4.031 -14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.021 -5.270 -14.436 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.823 -4.897 -12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.308 -6.347 -13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.797 -7.234 -13.562 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.536 -7.236 -11.518 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.423 -7.167 -9.992 1.00 0.00 H new ATOM 1260 N THR A 82 -10.712 -3.723 -11.260 1.00 0.00 N ATOM 1261 CA THR A 82 -11.432 -3.573 -10.002 1.00 0.00 C ATOM 1262 C THR A 82 -12.327 -2.339 -10.024 1.00 0.00 C ATOM 1263 O THR A 82 -13.475 -2.386 -9.586 1.00 0.00 O ATOM 1264 CB THR A 82 -10.462 -3.468 -8.810 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.478 -2.459 -9.065 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.774 -4.800 -8.552 1.00 0.00 C ATOM 0 H THR A 82 -9.703 -3.833 -11.158 1.00 0.00 H new ATOM 0 HA THR A 82 -12.049 -4.464 -9.883 1.00 0.00 H new ATOM 0 HB THR A 82 -11.038 -3.197 -7.925 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.310 -1.951 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.094 -4.700 -7.706 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.523 -5.559 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.211 -5.096 -9.437 1.00 0.00 H new ATOM 1274 N GLY A 83 -11.793 -1.235 -10.539 1.00 0.00 N ATOM 1275 CA GLY A 83 -12.559 -0.005 -10.609 1.00 0.00 C ATOM 1276 C GLY A 83 -12.505 0.786 -9.317 1.00 0.00 C ATOM 1277 O GLY A 83 -11.952 0.321 -8.321 1.00 0.00 O ATOM 0 H GLY A 83 -10.844 -1.171 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.179 0.610 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.597 -0.240 -10.844 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.079 1.985 -9.335 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.092 2.842 -8.155 1.00 0.00 C ATOM 1283 C GLN A 84 -13.250 2.016 -6.883 1.00 0.00 C ATOM 1284 O GLN A 84 -13.950 1.004 -6.871 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.224 3.867 -8.256 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.001 5.105 -7.403 1.00 0.00 C ATOM 1287 CD GLN A 84 -14.554 4.954 -5.999 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -15.273 4.000 -5.703 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -14.221 5.898 -5.127 1.00 0.00 N ATOM 0 H GLN A 84 -13.540 2.384 -10.152 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.138 3.367 -8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.338 4.169 -9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.159 3.394 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.933 5.316 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.471 5.963 -7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.622 6.671 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.564 5.850 -4.168 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.593 2.455 -5.813 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.673 1.744 -4.551 1.00 0.00 C ATOM 1300 C GLY A 85 -11.394 1.848 -3.744 1.00 0.00 C ATOM 1301 O GLY A 85 -10.338 2.178 -4.284 1.00 0.00 O ATOM 0 H GLY A 85 -12.007 3.290 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.502 2.142 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.894 0.694 -4.743 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.489 1.568 -2.449 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.330 1.632 -1.567 1.00 0.00 C ATOM 1307 C ILE A 86 -9.907 0.240 -1.112 1.00 0.00 C ATOM 1308 O ILE A 86 -10.747 -0.615 -0.830 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.613 2.501 -0.328 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.820 3.961 -0.738 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.474 2.383 0.674 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.502 4.796 0.323 1.00 0.00 C ATOM 0 H ILE A 86 -12.356 1.295 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.522 2.085 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.527 2.143 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.852 4.405 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.414 3.993 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.689 3.003 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.370 1.344 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.546 2.717 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.616 5.819 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.484 4.377 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.898 4.795 1.230 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.599 0.018 -1.041 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.063 -1.271 -0.618 1.00 0.00 C ATOM 1326 C PHE A 87 -7.008 -1.091 0.469 1.00 0.00 C ATOM 1327 O PHE A 87 -6.063 -0.318 0.311 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.460 -2.012 -1.813 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.414 -2.176 -2.961 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.266 -3.267 -3.022 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.460 -1.238 -3.980 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.144 -3.420 -4.077 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.337 -1.385 -5.038 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.181 -2.477 -5.086 1.00 0.00 C ATOM 0 H PHE A 87 -7.890 0.714 -1.271 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.883 -1.861 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.579 -1.472 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.123 -2.996 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.243 -4.006 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.803 -0.382 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.801 -4.276 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.362 -0.647 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.869 -2.594 -5.911 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.176 -1.811 1.573 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.239 -1.734 2.687 1.00 0.00 C ATOM 1346 C ALA A 88 -5.798 -3.124 3.131 1.00 0.00 C ATOM 1347 O ALA A 88 -6.624 -4.018 3.316 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.863 -0.978 3.851 1.00 0.00 C ATOM 0 H ALA A 88 -7.953 -2.455 1.720 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.355 -1.193 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.152 -0.928 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.120 0.032 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.764 -1.496 4.180 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.492 -3.300 3.301 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.941 -4.582 3.722 1.00 0.00 C ATOM 1356 C PHE A 89 -2.942 -4.398 4.861 1.00 0.00 C ATOM 1357 O PHE A 89 -2.180 -3.431 4.884 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.263 -5.283 2.543 1.00 0.00 C ATOM 1359 CG PHE A 89 -4.056 -5.214 1.269 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -4.167 -4.023 0.570 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.690 -6.341 0.771 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.895 -3.956 -0.603 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -5.419 -6.280 -0.402 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.523 -5.086 -1.089 1.00 0.00 C ATOM 0 H PHE A 89 -3.795 -2.570 3.153 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.763 -5.201 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.284 -4.833 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.094 -6.329 2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.679 -3.136 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.614 -7.277 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.973 -3.021 -1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.907 -7.166 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.094 -5.036 -2.004 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.953 -5.332 5.806 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.049 -5.275 6.949 1.00 0.00 C ATOM 1376 C LYS A 90 -0.668 -5.807 6.578 1.00 0.00 C ATOM 1377 O LYS A 90 -0.492 -7.007 6.365 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.620 -6.080 8.118 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.215 -5.545 9.481 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.140 -6.050 10.576 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.246 -5.053 11.719 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.028 -3.846 11.332 1.00 0.00 N ATOM 0 H LYS A 90 -3.578 -6.138 5.803 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.949 -4.232 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.708 -6.085 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.290 -7.115 8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.191 -5.846 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.230 -4.455 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.130 -6.235 10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.770 -7.003 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.719 -5.532 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.246 -4.753 12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.353 -3.353 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.427 -3.208 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.851 -4.133 10.765 1.00 0.00 H new ATOM 1396 N CYS A 91 0.307 -4.908 6.503 1.00 0.00 N ATOM 1397 CA CYS A 91 1.672 -5.288 6.158 1.00 0.00 C ATOM 1398 C CYS A 91 2.675 -4.618 7.091 1.00 0.00 C ATOM 1399 O CYS A 91 2.407 -3.551 7.644 1.00 0.00 O ATOM 1400 CB CYS A 91 1.977 -4.912 4.707 1.00 0.00 C ATOM 1401 SG CYS A 91 3.330 -5.857 3.968 1.00 0.00 S ATOM 0 H CYS A 91 0.178 -3.911 6.676 1.00 0.00 H new ATOM 0 HA CYS A 91 1.762 -6.368 6.272 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.078 -5.057 4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.222 -3.851 4.662 1.00 0.00 H new ATOM 0 HG CYS A 91 3.095 -7.129 4.103 1.00 0.00 H new ATOM 1407 N SER A 92 3.831 -5.252 7.263 1.00 0.00 N ATOM 1408 CA SER A 92 4.872 -4.720 8.134 1.00 0.00 C ATOM 1409 C SER A 92 5.823 -3.816 7.355 1.00 0.00 C ATOM 1410 O SER A 92 6.199 -2.742 7.823 1.00 0.00 O ATOM 1411 CB SER A 92 5.655 -5.862 8.785 1.00 0.00 C ATOM 1412 OG SER A 92 6.755 -5.368 9.528 1.00 0.00 O ATOM 0 H SER A 92 4.070 -6.134 6.811 1.00 0.00 H new ATOM 0 HA SER A 92 4.392 -4.128 8.913 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.996 -6.431 9.440 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.010 -6.548 8.016 1.00 0.00 H new ATOM 0 HG SER A 92 7.238 -6.117 9.935 1.00 0.00 H new ATOM 1418 N ARG A 93 6.207 -4.260 6.163 1.00 0.00 N ATOM 1419 CA ARG A 93 7.115 -3.493 5.318 1.00 0.00 C ATOM 1420 C ARG A 93 6.350 -2.460 4.496 1.00 0.00 C ATOM 1421 O ARG A 93 6.795 -2.053 3.423 1.00 0.00 O ATOM 1422 CB ARG A 93 7.892 -4.426 4.388 1.00 0.00 C ATOM 1423 CG ARG A 93 8.763 -5.432 5.123 1.00 0.00 C ATOM 1424 CD ARG A 93 9.491 -6.351 4.155 1.00 0.00 C ATOM 1425 NE ARG A 93 8.715 -7.550 3.851 1.00 0.00 N ATOM 1426 CZ ARG A 93 8.372 -8.455 4.761 1.00 0.00 C ATOM 1427 NH1 ARG A 93 8.735 -8.297 6.026 1.00 0.00 N ATOM 1428 NH2 ARG A 93 7.665 -9.520 4.406 1.00 0.00 N ATOM 0 H ARG A 93 5.904 -5.147 5.760 1.00 0.00 H new ATOM 0 HA ARG A 93 7.818 -2.969 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.187 -4.964 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.520 -3.827 3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.489 -4.903 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.145 -6.027 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.701 -5.811 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.452 -6.639 4.582 1.00 0.00 H new ATOM 0 HE ARG A 93 8.420 -7.701 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.279 -7.479 6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.471 -8.993 6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.384 -9.645 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.402 -10.214 5.106 1.00 0.00 H new ATOM 1442 N ALA A 94 5.197 -2.041 5.007 1.00 0.00 N ATOM 1443 CA ALA A 94 4.371 -1.055 4.321 1.00 0.00 C ATOM 1444 C ALA A 94 5.195 0.160 3.908 1.00 0.00 C ATOM 1445 O ALA A 94 5.144 0.594 2.758 1.00 0.00 O ATOM 1446 CB ALA A 94 3.210 -0.630 5.208 1.00 0.00 C ATOM 0 H ALA A 94 4.814 -2.369 5.894 1.00 0.00 H new ATOM 0 HA ALA A 94 3.974 -1.517 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.602 0.106 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.599 -1.500 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.597 -0.192 6.128 1.00 0.00 H new ATOM 1452 N GLU A 95 5.953 0.705 4.855 1.00 0.00 N ATOM 1453 CA GLU A 95 6.787 1.871 4.588 1.00 0.00 C ATOM 1454 C GLU A 95 7.474 1.750 3.231 1.00 0.00 C ATOM 1455 O GLU A 95 7.489 2.697 2.445 1.00 0.00 O ATOM 1456 CB GLU A 95 7.836 2.039 5.689 1.00 0.00 C ATOM 1457 CG GLU A 95 9.135 2.659 5.203 1.00 0.00 C ATOM 1458 CD GLU A 95 9.831 3.472 6.278 1.00 0.00 C ATOM 1459 OE1 GLU A 95 9.824 3.036 7.448 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.382 4.543 5.949 1.00 0.00 O ATOM 0 H GLU A 95 6.006 0.358 5.813 1.00 0.00 H new ATOM 0 HA GLU A 95 6.143 2.750 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.421 2.661 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.050 1.064 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.804 1.870 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.929 3.299 4.345 1.00 0.00 H new ATOM 1467 N GLU A 96 8.040 0.577 2.963 1.00 0.00 N ATOM 1468 CA GLU A 96 8.730 0.333 1.702 1.00 0.00 C ATOM 1469 C GLU A 96 7.774 0.483 0.522 1.00 0.00 C ATOM 1470 O GLU A 96 8.082 1.164 -0.457 1.00 0.00 O ATOM 1471 CB GLU A 96 9.349 -1.067 1.696 1.00 0.00 C ATOM 1472 CG GLU A 96 10.500 -1.227 2.676 1.00 0.00 C ATOM 1473 CD GLU A 96 11.645 -0.276 2.390 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.470 -0.588 1.505 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.717 0.781 3.052 1.00 0.00 O ATOM 0 H GLU A 96 8.034 -0.218 3.602 1.00 0.00 H new ATOM 0 HA GLU A 96 9.524 1.074 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.576 -1.798 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.704 -1.294 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.136 -1.057 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.866 -2.253 2.637 1.00 0.00 H new ATOM 1482 N ILE A 97 6.615 -0.158 0.622 1.00 0.00 N ATOM 1483 CA ILE A 97 5.614 -0.096 -0.437 1.00 0.00 C ATOM 1484 C ILE A 97 5.238 1.348 -0.753 1.00 0.00 C ATOM 1485 O ILE A 97 4.889 1.675 -1.888 1.00 0.00 O ATOM 1486 CB ILE A 97 4.341 -0.874 -0.055 1.00 0.00 C ATOM 1487 CG1 ILE A 97 4.652 -2.365 0.088 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.252 -0.651 -1.093 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.626 -3.121 0.902 1.00 0.00 C ATOM 0 H ILE A 97 6.345 -0.726 1.425 1.00 0.00 H new ATOM 0 HA ILE A 97 6.059 -0.555 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 97 3.981 -0.504 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.717 -2.811 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.631 -2.481 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.359 -1.207 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.015 0.411 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.601 -0.997 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.911 -4.171 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.577 -2.701 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.649 -3.036 0.425 1.00 0.00 H new ATOM 1501 N PHE A 98 5.314 2.208 0.257 1.00 0.00 N ATOM 1502 CA PHE A 98 4.983 3.618 0.086 1.00 0.00 C ATOM 1503 C PHE A 98 6.115 4.362 -0.617 1.00 0.00 C ATOM 1504 O PHE A 98 5.918 4.953 -1.678 1.00 0.00 O ATOM 1505 CB PHE A 98 4.698 4.265 1.443 1.00 0.00 C ATOM 1506 CG PHE A 98 4.362 5.726 1.353 1.00 0.00 C ATOM 1507 CD1 PHE A 98 3.067 6.136 1.078 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.340 6.689 1.541 1.00 0.00 C ATOM 1509 CE1 PHE A 98 2.754 7.480 0.995 1.00 0.00 C ATOM 1510 CE2 PHE A 98 5.032 8.034 1.459 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.738 8.430 1.184 1.00 0.00 C ATOM 0 H PHE A 98 5.602 1.954 1.202 1.00 0.00 H new ATOM 0 HA PHE A 98 4.089 3.683 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.871 3.739 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.569 4.140 2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.294 5.397 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.354 6.385 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.740 7.787 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.803 8.775 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.496 9.480 1.117 1.00 0.00 H new ATOM 1521 N ASN A 99 7.300 4.327 -0.017 1.00 0.00 N ATOM 1522 CA ASN A 99 8.464 4.999 -0.584 1.00 0.00 C ATOM 1523 C ASN A 99 8.799 4.435 -1.961 1.00 0.00 C ATOM 1524 O ASN A 99 9.347 5.135 -2.814 1.00 0.00 O ATOM 1525 CB ASN A 99 9.668 4.850 0.348 1.00 0.00 C ATOM 1526 CG ASN A 99 10.549 3.674 -0.029 1.00 0.00 C ATOM 1527 OD1 ASN A 99 11.028 3.580 -1.159 1.00 0.00 O ATOM 1528 ND2 ASN A 99 10.765 2.769 0.919 1.00 0.00 N ATOM 0 H ASN A 99 7.480 3.841 0.861 1.00 0.00 H new ATOM 0 HA ASN A 99 8.226 6.057 -0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.259 5.766 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.318 4.724 1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.348 1.955 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.347 2.888 1.842 1.00 0.00 H new ATOM 1535 N LEU A 100 8.466 3.167 -2.173 1.00 0.00 N ATOM 1536 CA LEU A 100 8.731 2.508 -3.447 1.00 0.00 C ATOM 1537 C LEU A 100 7.711 2.930 -4.500 1.00 0.00 C ATOM 1538 O LEU A 100 8.076 3.359 -5.596 1.00 0.00 O ATOM 1539 CB LEU A 100 8.702 0.989 -3.274 1.00 0.00 C ATOM 1540 CG LEU A 100 8.916 0.164 -4.544 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.306 0.405 -5.110 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.702 -1.316 -4.262 1.00 0.00 C ATOM 0 H LEU A 100 8.012 2.574 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 100 9.722 2.810 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.469 0.711 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.741 0.711 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 100 8.184 0.481 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.439 -0.191 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.422 1.462 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.054 0.117 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.859 -1.887 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.409 -1.648 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.685 -1.475 -3.905 1.00 0.00 H new ATOM 1554 N LEU A 101 6.433 2.809 -4.161 1.00 0.00 N ATOM 1555 CA LEU A 101 5.359 3.180 -5.077 1.00 0.00 C ATOM 1556 C LEU A 101 5.584 4.580 -5.640 1.00 0.00 C ATOM 1557 O LEU A 101 5.520 4.789 -6.851 1.00 0.00 O ATOM 1558 CB LEU A 101 4.008 3.116 -4.362 1.00 0.00 C ATOM 1559 CG LEU A 101 2.774 3.315 -5.242 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.376 2.008 -5.909 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.618 3.871 -4.422 1.00 0.00 C ATOM 0 H LEU A 101 6.114 2.457 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 101 5.359 2.471 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.926 2.147 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.997 3.874 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 101 3.021 4.036 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.496 2.170 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.198 1.651 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.148 1.264 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.748 4.006 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.372 3.174 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.905 4.831 -3.993 1.00 0.00 H new ATOM 1573 N GLN A 102 5.849 5.533 -4.753 1.00 0.00 N ATOM 1574 CA GLN A 102 6.084 6.913 -5.162 1.00 0.00 C ATOM 1575 C GLN A 102 7.406 7.040 -5.912 1.00 0.00 C ATOM 1576 O GLN A 102 7.542 7.867 -6.814 1.00 0.00 O ATOM 1577 CB GLN A 102 6.085 7.836 -3.942 1.00 0.00 C ATOM 1578 CG GLN A 102 7.216 7.554 -2.967 1.00 0.00 C ATOM 1579 CD GLN A 102 8.448 8.394 -3.242 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.571 9.007 -4.302 1.00 0.00 O ATOM 1581 NE2 GLN A 102 9.368 8.427 -2.285 1.00 0.00 N ATOM 0 H GLN A 102 5.906 5.375 -3.747 1.00 0.00 H new ATOM 0 HA GLN A 102 5.277 7.210 -5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.156 8.870 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.133 7.736 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.870 7.745 -1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.482 6.498 -3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.225 7.903 -1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.218 8.976 -2.413 1.00 0.00 H new ATOM 1590 N ASP A 103 8.377 6.216 -5.533 1.00 0.00 N ATOM 1591 CA ASP A 103 9.689 6.236 -6.170 1.00 0.00 C ATOM 1592 C ASP A 103 9.599 5.754 -7.614 1.00 0.00 C ATOM 1593 O ASP A 103 10.254 6.299 -8.504 1.00 0.00 O ATOM 1594 CB ASP A 103 10.672 5.363 -5.388 1.00 0.00 C ATOM 1595 CG ASP A 103 11.366 6.126 -4.277 1.00 0.00 C ATOM 1596 OD1 ASP A 103 11.483 7.364 -4.390 1.00 0.00 O ATOM 1597 OD2 ASP A 103 11.792 5.484 -3.294 1.00 0.00 O ATOM 0 H ASP A 103 8.280 5.526 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 103 10.050 7.265 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.139 4.512 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.420 4.961 -6.071 1.00 0.00 H new ATOM 1602 N LEU A 104 8.784 4.729 -7.841 1.00 0.00 N ATOM 1603 CA LEU A 104 8.608 4.173 -9.178 1.00 0.00 C ATOM 1604 C LEU A 104 7.993 5.202 -10.120 1.00 0.00 C ATOM 1605 O LEU A 104 8.466 5.394 -11.240 1.00 0.00 O ATOM 1606 CB LEU A 104 7.725 2.925 -9.120 1.00 0.00 C ATOM 1607 CG LEU A 104 8.306 1.726 -8.370 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.269 0.620 -8.248 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.555 1.213 -9.071 1.00 0.00 C ATOM 0 H LEU A 104 8.235 4.266 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 104 9.590 3.898 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.778 3.196 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.500 2.616 -10.141 1.00 0.00 H new ATOM 0 HG LEU A 104 8.583 2.049 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.700 -0.225 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.402 0.993 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.961 0.299 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.955 0.360 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.303 0.907 -10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.303 2.005 -9.106 1.00 0.00 H new ATOM 1621 N MET A 105 6.937 5.863 -9.658 1.00 0.00 N ATOM 1622 CA MET A 105 6.259 6.876 -10.458 1.00 0.00 C ATOM 1623 C MET A 105 7.238 7.955 -10.911 1.00 0.00 C ATOM 1624 O MET A 105 7.249 8.344 -12.079 1.00 0.00 O ATOM 1625 CB MET A 105 5.118 7.509 -9.659 1.00 0.00 C ATOM 1626 CG MET A 105 4.000 6.537 -9.323 1.00 0.00 C ATOM 1627 SD MET A 105 2.923 7.143 -8.010 1.00 0.00 S ATOM 1628 CE MET A 105 1.476 7.620 -8.951 1.00 0.00 C ATOM 0 H MET A 105 6.532 5.715 -8.734 1.00 0.00 H new ATOM 0 HA MET A 105 5.847 6.389 -11.342 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.519 7.923 -8.734 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.705 8.342 -10.228 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.406 6.350 -10.217 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.432 5.583 -9.022 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.581 7.453 -8.352 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.545 8.675 -9.214 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.420 7.022 -9.861 1.00 0.00 H new ATOM 1638 N GLN A 106 8.056 8.434 -9.980 1.00 0.00 N ATOM 1639 CA GLN A 106 9.037 9.469 -10.285 1.00 0.00 C ATOM 1640 C GLN A 106 10.156 8.917 -11.163 1.00 0.00 C ATOM 1641 O GLN A 106 10.717 9.633 -11.993 1.00 0.00 O ATOM 1642 CB GLN A 106 9.622 10.044 -8.994 1.00 0.00 C ATOM 1643 CG GLN A 106 10.269 8.997 -8.101 1.00 0.00 C ATOM 1644 CD GLN A 106 10.901 9.599 -6.861 1.00 0.00 C ATOM 1645 OE1 GLN A 106 10.207 10.117 -5.985 1.00 0.00 O ATOM 1646 NE2 GLN A 106 12.225 9.533 -6.780 1.00 0.00 N ATOM 0 H GLN A 106 8.059 8.122 -9.009 1.00 0.00 H new ATOM 0 HA GLN A 106 8.530 10.264 -10.831 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.363 10.802 -9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.830 10.545 -8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.518 8.265 -7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.030 8.461 -8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.761 9.095 -7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.706 9.921 -5.968 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.128 -6.945 0.335 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.177 -6.157 0.971 1.00 0.00 C ATOM 2024 C PHE A 136 -13.047 -4.682 0.604 1.00 0.00 C ATOM 2025 O PHE A 136 -12.040 -4.042 0.907 1.00 0.00 O ATOM 2026 CB PHE A 136 -13.119 -6.324 2.491 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.203 -5.580 3.217 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -15.497 -6.074 3.252 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -13.928 -4.386 3.864 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -16.496 -5.391 3.919 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -14.923 -3.698 4.533 1.00 0.00 C ATOM 2032 CZ PHE A 136 -16.209 -4.202 4.561 1.00 0.00 C ATOM 0 HA PHE A 136 -14.139 -6.519 0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -13.190 -7.384 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.149 -5.979 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -15.727 -7.003 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.924 -3.988 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -17.501 -5.787 3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -14.695 -2.768 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.988 -3.667 5.084 1.00 0.00 H new ATOM 2042 N ARG A 137 -14.073 -4.149 -0.051 1.00 0.00 N ATOM 2043 CA ARG A 137 -14.074 -2.750 -0.462 1.00 0.00 C ATOM 2044 C ARG A 137 -14.408 -1.838 0.715 1.00 0.00 C ATOM 2045 O ARG A 137 -15.479 -1.946 1.314 1.00 0.00 O ATOM 2046 CB ARG A 137 -15.079 -2.529 -1.593 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.560 -2.948 -2.959 1.00 0.00 C ATOM 2048 CD ARG A 137 -14.609 -4.457 -3.135 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.932 -4.917 -3.551 1.00 0.00 N ATOM 2050 CZ ARG A 137 -16.377 -4.841 -4.800 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -15.610 -4.325 -5.750 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -17.592 -5.281 -5.100 1.00 0.00 N ATOM 0 H ARG A 137 -14.914 -4.665 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 137 -13.075 -2.502 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.989 -3.087 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.351 -1.474 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.155 -2.470 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.535 -2.599 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.870 -4.760 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.335 -4.940 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.547 -5.318 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -14.676 -3.985 -5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -15.954 -4.268 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.185 -5.678 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.933 -5.222 -6.059 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.485 -0.941 1.043 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.680 -0.010 2.149 1.00 0.00 C ATOM 2068 C LEU A 138 -14.484 1.207 1.701 1.00 0.00 C ATOM 2069 O LEU A 138 -14.497 1.554 0.520 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.330 0.435 2.712 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.478 -0.659 3.358 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.133 -0.100 3.795 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.211 -1.277 4.540 1.00 0.00 C ATOM 0 H LEU A 138 -12.593 -0.838 0.558 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.240 -0.525 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.754 0.887 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.507 1.215 3.453 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.300 -1.439 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.541 -0.893 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.604 0.294 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.289 0.700 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.590 -2.053 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.420 -0.506 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.149 -1.715 4.198 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.151 1.852 2.652 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.956 3.031 2.356 1.00 0.00 C ATOM 2087 C ARG A 139 -15.152 4.308 2.580 1.00 0.00 C ATOM 2088 O ARG A 139 -15.238 5.254 1.796 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.214 3.048 3.226 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.298 2.096 2.748 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.620 2.360 3.451 1.00 0.00 C ATOM 2092 NE ARG A 139 -19.527 2.140 4.892 1.00 0.00 N ATOM 2093 CZ ARG A 139 -20.550 2.293 5.726 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.736 2.663 5.265 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -20.386 2.074 7.024 1.00 0.00 N ATOM 0 H ARG A 139 -15.150 1.578 3.635 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.249 2.986 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.941 2.790 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.616 4.061 3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.429 2.203 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -17.987 1.067 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.933 3.386 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -20.389 1.709 3.034 1.00 0.00 H new ATOM 0 HE ARG A 139 -18.628 1.853 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.866 2.831 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -22.519 2.780 5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -19.475 1.788 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -21.171 2.191 7.664 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.371 4.329 3.655 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.551 5.490 3.983 1.00 0.00 C ATOM 2111 C HIS A 140 -12.075 5.111 4.051 1.00 0.00 C ATOM 2112 O HIS A 140 -11.724 3.932 4.012 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.997 6.096 5.314 1.00 0.00 C ATOM 2114 CG HIS A 140 -13.958 5.127 6.456 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -13.138 5.289 7.552 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -14.646 3.981 6.668 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -13.322 4.283 8.389 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -14.233 3.476 7.876 1.00 0.00 N ATOM 0 H HIS A 140 -14.289 3.555 4.314 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.681 6.231 3.194 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.358 6.947 5.549 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -15.012 6.479 5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -15.383 3.545 6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -12.814 4.144 9.332 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -14.574 2.617 8.307 1.00 0.00 H new ATOM 2127 N PHE A 141 -11.214 6.119 4.152 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.776 5.892 4.224 1.00 0.00 C ATOM 2129 C PHE A 141 -9.325 5.713 5.671 1.00 0.00 C ATOM 2130 O PHE A 141 -9.483 6.600 6.511 1.00 0.00 O ATOM 2131 CB PHE A 141 -9.021 7.058 3.583 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.706 6.660 2.977 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.663 5.852 1.851 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.513 7.094 3.531 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.454 5.484 1.292 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.301 6.729 2.975 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.272 5.924 1.854 1.00 0.00 C ATOM 0 H PHE A 141 -11.488 7.101 4.186 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.550 4.977 3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.647 7.505 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.847 7.826 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.584 5.507 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.530 7.725 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.434 4.853 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.378 7.073 3.417 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.326 5.639 1.417 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.751 4.539 5.971 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.265 4.215 7.316 1.00 0.00 C ATOM 2149 C PRO A 142 -7.032 5.027 7.698 1.00 0.00 C ATOM 2150 O PRO A 142 -6.989 5.643 8.763 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.917 2.728 7.219 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.629 2.499 5.775 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.531 3.436 5.020 1.00 0.00 C ATOM 0 HA PRO A 142 -9.005 4.444 8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -7.054 2.482 7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.743 2.105 7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.582 2.699 5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.823 1.463 5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.066 3.787 4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.468 2.954 4.740 1.00 0.00 H new ATOM 2161 N CYS A 143 -6.033 5.024 6.822 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.799 5.761 7.068 1.00 0.00 C ATOM 2163 C CYS A 143 -5.066 7.261 7.142 1.00 0.00 C ATOM 2164 O CYS A 143 -6.130 7.732 6.743 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.776 5.466 5.970 1.00 0.00 C ATOM 2166 SG CYS A 143 -2.063 5.781 6.452 1.00 0.00 S ATOM 0 H CYS A 143 -6.054 4.520 5.936 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.396 5.435 8.027 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.872 4.422 5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -4.013 6.072 5.095 1.00 0.00 H new ATOM 0 HG CYS A 143 -1.548 6.676 5.663 1.00 0.00 H new ATOM 2172 N GLY A 144 -4.092 8.006 7.656 1.00 0.00 N ATOM 2173 CA GLY A 144 -4.242 9.445 7.774 1.00 0.00 C ATOM 2174 C GLY A 144 -3.298 10.203 6.862 1.00 0.00 C ATOM 2175 O GLY A 144 -3.617 11.298 6.401 1.00 0.00 O ATOM 0 H GLY A 144 -3.202 7.639 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -5.270 9.721 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -4.061 9.743 8.807 1.00 0.00 H new ATOM 2179 N ASN A 145 -2.132 9.620 6.604 1.00 0.00 N ATOM 2180 CA ASN A 145 -1.137 10.250 5.743 1.00 0.00 C ATOM 2181 C ASN A 145 -1.325 9.820 4.291 1.00 0.00 C ATOM 2182 O ASN A 145 -0.841 8.766 3.877 1.00 0.00 O ATOM 2183 CB ASN A 145 0.274 9.894 6.214 1.00 0.00 C ATOM 2184 CG ASN A 145 0.400 9.909 7.725 1.00 0.00 C ATOM 2185 OD1 ASN A 145 0.605 10.960 8.332 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.278 8.738 8.341 1.00 0.00 N ATOM 0 H ASN A 145 -1.853 8.713 6.978 1.00 0.00 H new ATOM 0 HA ASN A 145 -1.271 11.330 5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 145 0.540 8.906 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 145 0.986 10.600 5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.354 8.686 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 145 0.108 7.891 7.798 1.00 0.00 H new ATOM 2193 N VAL A 146 -2.029 10.643 3.522 1.00 0.00 N ATOM 2194 CA VAL A 146 -2.279 10.350 2.116 1.00 0.00 C ATOM 2195 C VAL A 146 -1.288 11.081 1.217 1.00 0.00 C ATOM 2196 O VAL A 146 -0.780 12.144 1.572 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.712 10.741 1.707 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.879 10.654 0.197 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.728 9.857 2.415 1.00 0.00 C ATOM 0 H VAL A 146 -2.437 11.519 3.849 1.00 0.00 H new ATOM 0 HA VAL A 146 -2.154 9.275 1.990 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.889 11.773 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.897 10.934 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -3.176 11.332 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.684 9.634 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.735 10.147 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.555 8.815 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.623 9.974 3.494 1.00 0.00 H new ATOM 2209 N ASN A 147 -1.019 10.505 0.050 1.00 0.00 N ATOM 2210 CA ASN A 147 -0.088 11.102 -0.901 1.00 0.00 C ATOM 2211 C ASN A 147 -0.687 11.130 -2.304 1.00 0.00 C ATOM 2212 O ASN A 147 -1.313 10.164 -2.742 1.00 0.00 O ATOM 2213 CB ASN A 147 1.230 10.326 -0.912 1.00 0.00 C ATOM 2214 CG ASN A 147 2.356 11.109 -1.559 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.257 12.322 -1.744 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.435 10.416 -1.906 1.00 0.00 N ATOM 0 H ASN A 147 -1.432 9.626 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 147 0.105 12.128 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.508 10.073 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.091 9.386 -1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.225 10.889 -2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.473 9.411 -1.733 1.00 0.00 H new ATOM 2223 N TYR A 148 -0.490 12.242 -3.003 1.00 0.00 N ATOM 2224 CA TYR A 148 -1.012 12.396 -4.356 1.00 0.00 C ATOM 2225 C TYR A 148 0.119 12.380 -5.381 1.00 0.00 C ATOM 2226 O TYR A 148 1.102 13.106 -5.248 1.00 0.00 O ATOM 2227 CB TYR A 148 -1.803 13.699 -4.474 1.00 0.00 C ATOM 2228 CG TYR A 148 -2.880 13.851 -3.423 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -3.995 13.023 -3.417 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -2.781 14.824 -2.435 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -4.981 13.159 -2.459 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -3.761 14.966 -1.473 1.00 0.00 C ATOM 2233 CZ TYR A 148 -4.859 14.132 -1.489 1.00 0.00 C ATOM 2234 OH TYR A 148 -5.839 14.269 -0.532 1.00 0.00 O ATOM 0 H TYR A 148 0.027 13.050 -2.656 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.676 11.556 -4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -1.114 14.540 -4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -2.261 13.748 -5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -4.093 12.259 -4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -1.923 15.480 -2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -5.842 12.507 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -3.668 15.726 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 148 -5.601 14.999 0.077 1.00 0.00 H new ATOM 2244 N GLY A 149 -0.031 11.544 -6.404 1.00 0.00 N ATOM 2245 CA GLY A 149 0.983 11.448 -7.438 1.00 0.00 C ATOM 2246 C GLY A 149 0.695 12.355 -8.618 1.00 0.00 C ATOM 2247 O GLY A 149 0.498 13.558 -8.452 1.00 0.00 O ATOM 0 H GLY A 149 -0.836 10.932 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 149 1.954 11.704 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.048 10.416 -7.784 1.00 0.00 H new