USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 910 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 99 HIS : no HD1:sc= 0 X(o=-0.39,f=-0.18) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.18) USER MOD Set 2.1: A 80 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.3) USER MOD Set 2.2: A 83 GLN : amide:sc=-0.00306 K(o=-0.11,f=-1.1) USER MOD Set 3.1: A 69 TYR OH : rot -40:sc= 0.0587 USER MOD Set 3.2: A 114 THR OG1 : rot -80:sc= 0.758 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -160:sc= -0.0831 (180deg=-0.544) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 45 MET CE :methyl 159:sc= -0.177 (180deg=-0.803) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0319 (180deg=-0.234) USER MOD Single : A 48 TYR OH : rot -24:sc= 0.329 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.45! K(o=-3.5!,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc=-0.00284 (180deg=-0.18) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.434 K(o=-0.43,f=-0.96) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= -0.0613 (180deg=-0.283) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -5.1! K(o=-5.1!,f=-0.3) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -81:sc= 0.468 USER MOD Single : A 95 THR OG1 : rot 73:sc= 0.534 USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.18 USER MOD Single : A 98 GLN : amide:sc= -0.423 K(o=-0.42,f=-0.94) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 135:sc= -0.367 (180deg=-3.9!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 165:sc= -0.351 (180deg=-0.82) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.360 1.641 6.040 1.00 0.00 N ATOM 243 CA ALA A 19 19.262 3.090 5.889 1.00 0.00 C ATOM 244 C ALA A 19 18.216 3.476 4.849 1.00 0.00 C ATOM 245 O ALA A 19 17.274 4.212 5.147 1.00 0.00 O ATOM 246 CB ALA A 19 20.616 3.670 5.509 1.00 0.00 C ATOM 0 HA ALA A 19 18.948 3.504 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.531 4.751 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.342 3.441 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.947 3.234 4.566 1.00 0.00 H new ATOM 252 N GLU A 20 18.385 2.976 3.629 1.00 0.00 N ATOM 253 CA GLU A 20 17.454 3.270 2.547 1.00 0.00 C ATOM 254 C GLU A 20 16.045 2.812 2.906 1.00 0.00 C ATOM 255 O GLU A 20 15.062 3.455 2.541 1.00 0.00 O ATOM 256 CB GLU A 20 17.908 2.592 1.253 1.00 0.00 C ATOM 257 CG GLU A 20 17.030 2.920 0.057 1.00 0.00 C ATOM 258 CD GLU A 20 17.507 2.254 -1.219 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.379 2.834 -1.901 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.009 1.154 -1.535 1.00 0.00 O ATOM 0 H GLU A 20 19.158 2.365 3.366 1.00 0.00 H new ATOM 0 HA GLU A 20 17.441 4.349 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.933 2.893 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.917 1.512 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.007 2.606 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.009 4.000 -0.088 1.00 0.00 H new ATOM 267 N PHE A 21 15.956 1.697 3.626 1.00 0.00 N ATOM 268 CA PHE A 21 14.665 1.156 4.037 1.00 0.00 C ATOM 269 C PHE A 21 13.872 2.191 4.826 1.00 0.00 C ATOM 270 O PHE A 21 12.732 2.504 4.483 1.00 0.00 O ATOM 271 CB PHE A 21 14.860 -0.108 4.878 1.00 0.00 C ATOM 272 CG PHE A 21 13.571 -0.714 5.352 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.762 -1.423 4.479 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.167 -0.570 6.668 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.573 -1.979 4.911 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.981 -1.124 7.108 1.00 0.00 C ATOM 277 CZ PHE A 21 11.182 -1.829 6.228 1.00 0.00 C ATOM 0 H PHE A 21 16.761 1.152 3.936 1.00 0.00 H new ATOM 0 HA PHE A 21 14.103 0.900 3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.405 -0.846 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.480 0.132 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.064 -1.543 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.787 -0.018 7.359 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.951 -2.530 4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.678 -1.007 8.138 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.253 -2.262 6.569 1.00 0.00 H new ATOM 287 N ASP A 22 14.482 2.722 5.883 1.00 0.00 N ATOM 288 CA ASP A 22 13.830 3.727 6.715 1.00 0.00 C ATOM 289 C ASP A 22 13.435 4.942 5.883 1.00 0.00 C ATOM 290 O ASP A 22 12.415 5.579 6.143 1.00 0.00 O ATOM 291 CB ASP A 22 14.751 4.154 7.860 1.00 0.00 C ATOM 292 CG ASP A 22 14.874 3.088 8.932 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.020 3.062 9.844 1.00 0.00 O ATOM 294 OD2 ASP A 22 15.823 2.281 8.863 1.00 0.00 O ATOM 0 H ASP A 22 15.425 2.473 6.182 1.00 0.00 H new ATOM 0 HA ASP A 22 12.927 3.285 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.740 4.381 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.369 5.072 8.307 1.00 0.00 H new ATOM 299 N ALA A 23 14.250 5.255 4.879 1.00 0.00 N ATOM 300 CA ALA A 23 13.983 6.389 4.002 1.00 0.00 C ATOM 301 C ALA A 23 12.649 6.222 3.285 1.00 0.00 C ATOM 302 O ALA A 23 11.827 7.140 3.257 1.00 0.00 O ATOM 303 CB ALA A 23 15.110 6.557 2.994 1.00 0.00 C ATOM 0 H ALA A 23 15.100 4.739 4.653 1.00 0.00 H new ATOM 0 HA ALA A 23 13.927 7.287 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.896 7.408 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.048 6.730 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.195 5.654 2.390 1.00 0.00 H new ATOM 309 N VAL A 24 12.439 5.042 2.707 1.00 0.00 N ATOM 310 CA VAL A 24 11.202 4.755 1.993 1.00 0.00 C ATOM 311 C VAL A 24 10.000 4.876 2.919 1.00 0.00 C ATOM 312 O VAL A 24 9.020 5.545 2.592 1.00 0.00 O ATOM 313 CB VAL A 24 11.219 3.348 1.367 1.00 0.00 C ATOM 314 CG1 VAL A 24 9.961 3.115 0.540 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.464 3.156 0.517 1.00 0.00 C ATOM 0 H VAL A 24 13.108 4.272 2.720 1.00 0.00 H new ATOM 0 HA VAL A 24 11.121 5.491 1.193 1.00 0.00 H new ATOM 0 HB VAL A 24 11.239 2.614 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.991 2.116 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.083 3.207 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.908 3.856 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.458 2.156 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.477 3.898 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.351 3.276 1.139 1.00 0.00 H new ATOM 325 N VAL A 25 10.083 4.229 4.080 1.00 0.00 N ATOM 326 CA VAL A 25 9.002 4.270 5.058 1.00 0.00 C ATOM 327 C VAL A 25 8.579 5.709 5.332 1.00 0.00 C ATOM 328 O VAL A 25 7.397 5.995 5.521 1.00 0.00 O ATOM 329 CB VAL A 25 9.415 3.601 6.384 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.265 3.625 7.381 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.885 2.177 6.136 1.00 0.00 C ATOM 0 H VAL A 25 10.888 3.671 4.365 1.00 0.00 H new ATOM 0 HA VAL A 25 8.163 3.718 4.635 1.00 0.00 H new ATOM 0 HB VAL A 25 10.243 4.166 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.578 3.148 8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.979 4.657 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.413 3.087 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.173 1.719 7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.077 1.601 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.742 2.189 5.463 1.00 0.00 H new ATOM 341 N GLY A 26 9.556 6.611 5.349 1.00 0.00 N ATOM 342 CA GLY A 26 9.267 8.010 5.589 1.00 0.00 C ATOM 343 C GLY A 26 8.468 8.628 4.461 1.00 0.00 C ATOM 344 O GLY A 26 7.556 9.422 4.697 1.00 0.00 O ATOM 0 H GLY A 26 10.542 6.396 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.713 8.110 6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.202 8.557 5.713 1.00 0.00 H new ATOM 348 N TYR A 27 8.813 8.263 3.228 1.00 0.00 N ATOM 349 CA TYR A 27 8.117 8.782 2.056 1.00 0.00 C ATOM 350 C TYR A 27 6.646 8.375 2.073 1.00 0.00 C ATOM 351 O TYR A 27 5.761 9.222 1.945 1.00 0.00 O ATOM 352 CB TYR A 27 8.781 8.283 0.769 1.00 0.00 C ATOM 353 CG TYR A 27 10.206 8.766 0.586 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.539 10.105 0.758 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.216 7.880 0.233 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.838 10.544 0.586 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.517 8.312 0.060 1.00 0.00 C ATOM 358 CZ TYR A 27 12.822 9.644 0.237 1.00 0.00 C ATOM 359 OH TYR A 27 14.118 10.079 0.065 1.00 0.00 O ATOM 0 H TYR A 27 9.569 7.611 3.016 1.00 0.00 H new ATOM 0 HA TYR A 27 8.178 9.870 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.774 7.193 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.186 8.607 -0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.770 10.813 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.980 6.836 0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.081 11.587 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.291 7.609 -0.212 1.00 0.00 H new ATOM 0 HH TYR A 27 14.688 9.320 -0.178 1.00 0.00 H new ATOM 369 N LEU A 28 6.391 7.076 2.229 1.00 0.00 N ATOM 370 CA LEU A 28 5.032 6.560 2.268 1.00 0.00 C ATOM 371 C LEU A 28 4.178 7.328 3.274 1.00 0.00 C ATOM 372 O LEU A 28 3.055 7.728 2.967 1.00 0.00 O ATOM 373 CB LEU A 28 5.054 5.074 2.626 1.00 0.00 C ATOM 374 CG LEU A 28 5.420 4.121 1.484 1.00 0.00 C ATOM 375 CD1 LEU A 28 4.282 4.025 0.479 1.00 0.00 C ATOM 376 CD2 LEU A 28 6.704 4.552 0.791 1.00 0.00 C ATOM 0 H LEU A 28 7.114 6.363 2.330 1.00 0.00 H new ATOM 0 HA LEU A 28 4.588 6.690 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.764 4.926 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.071 4.796 3.006 1.00 0.00 H new ATOM 0 HG LEU A 28 5.587 3.135 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.562 3.343 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.387 3.651 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.080 5.012 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.935 3.854 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.576 5.553 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.522 4.558 1.511 1.00 0.00 H new ATOM 388 N GLU A 29 4.718 7.533 4.473 1.00 0.00 N ATOM 389 CA GLU A 29 4.001 8.255 5.520 1.00 0.00 C ATOM 390 C GLU A 29 3.565 9.631 5.030 1.00 0.00 C ATOM 391 O GLU A 29 2.432 10.054 5.263 1.00 0.00 O ATOM 392 CB GLU A 29 4.877 8.402 6.766 1.00 0.00 C ATOM 393 CG GLU A 29 5.160 7.086 7.471 1.00 0.00 C ATOM 394 CD GLU A 29 6.065 7.253 8.677 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.541 7.516 9.779 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.296 7.121 8.518 1.00 0.00 O ATOM 0 H GLU A 29 5.647 7.210 4.743 1.00 0.00 H new ATOM 0 HA GLU A 29 3.112 7.679 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.823 8.863 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.389 9.081 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.218 6.638 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.622 6.393 6.768 1.00 0.00 H new ATOM 403 N ASP A 30 4.472 10.327 4.349 1.00 0.00 N ATOM 404 CA ASP A 30 4.177 11.653 3.821 1.00 0.00 C ATOM 405 C ASP A 30 3.049 11.586 2.797 1.00 0.00 C ATOM 406 O ASP A 30 2.245 12.511 2.683 1.00 0.00 O ATOM 407 CB ASP A 30 5.426 12.266 3.185 1.00 0.00 C ATOM 408 CG ASP A 30 5.189 13.682 2.696 1.00 0.00 C ATOM 409 OD1 ASP A 30 4.715 13.843 1.551 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.477 14.630 3.457 1.00 0.00 O ATOM 0 H ASP A 30 5.416 9.994 4.151 1.00 0.00 H new ATOM 0 HA ASP A 30 3.858 12.285 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.238 12.267 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.747 11.645 2.349 1.00 0.00 H new ATOM 415 N ILE A 31 3.000 10.484 2.055 1.00 0.00 N ATOM 416 CA ILE A 31 1.970 10.290 1.042 1.00 0.00 C ATOM 417 C ILE A 31 0.612 10.039 1.690 1.00 0.00 C ATOM 418 O ILE A 31 -0.422 10.449 1.163 1.00 0.00 O ATOM 419 CB ILE A 31 2.314 9.111 0.109 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.650 9.366 -0.597 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.202 8.894 -0.909 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.124 8.202 -1.443 1.00 0.00 C ATOM 0 H ILE A 31 3.662 9.712 2.137 1.00 0.00 H new ATOM 0 HA ILE A 31 1.925 11.204 0.450 1.00 0.00 H new ATOM 0 HB ILE A 31 2.407 8.207 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.554 10.248 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.409 9.592 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.462 8.058 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.270 8.673 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.077 9.795 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.075 8.456 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.254 7.323 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.385 7.989 -2.215 1.00 0.00 H new ATOM 434 N ILE A 32 0.621 9.365 2.835 1.00 0.00 N ATOM 435 CA ILE A 32 -0.611 9.061 3.550 1.00 0.00 C ATOM 436 C ILE A 32 -1.288 10.336 4.043 1.00 0.00 C ATOM 437 O ILE A 32 -2.510 10.472 3.963 1.00 0.00 O ATOM 438 CB ILE A 32 -0.350 8.127 4.750 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.279 6.815 4.271 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.645 7.857 5.504 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.737 5.912 5.396 1.00 0.00 C ATOM 0 H ILE A 32 1.468 9.019 3.287 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.270 8.554 2.846 1.00 0.00 H new ATOM 0 HB ILE A 32 0.346 8.617 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.445 6.278 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.131 7.044 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.444 7.197 6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.056 8.798 5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.363 7.383 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.171 5.003 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.485 6.430 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.115 5.652 6.024 1.00 0.00 H new ATOM 453 N MET A 33 -0.490 11.268 4.554 1.00 0.00 N ATOM 454 CA MET A 33 -1.018 12.532 5.058 1.00 0.00 C ATOM 455 C MET A 33 -1.144 13.562 3.939 1.00 0.00 C ATOM 456 O MET A 33 -1.383 14.742 4.196 1.00 0.00 O ATOM 457 CB MET A 33 -0.119 13.079 6.168 1.00 0.00 C ATOM 458 CG MET A 33 -0.023 12.167 7.381 1.00 0.00 C ATOM 459 SD MET A 33 1.030 12.847 8.678 1.00 0.00 S ATOM 460 CE MET A 33 2.619 12.874 7.850 1.00 0.00 C ATOM 0 H MET A 33 0.523 11.173 4.630 1.00 0.00 H new ATOM 0 HA MET A 33 -2.012 12.341 5.463 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.881 13.242 5.766 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.497 14.051 6.484 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.022 11.995 7.782 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.368 11.197 7.072 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.415 12.923 8.593 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.734 11.969 7.253 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.676 13.747 7.200 1.00 0.00 H new ATOM 470 N ASP A 34 -0.982 13.110 2.699 1.00 0.00 N ATOM 471 CA ASP A 34 -1.080 13.998 1.544 1.00 0.00 C ATOM 472 C ASP A 34 -2.538 14.323 1.232 1.00 0.00 C ATOM 473 O ASP A 34 -3.383 13.431 1.166 1.00 0.00 O ATOM 474 CB ASP A 34 -0.413 13.361 0.323 1.00 0.00 C ATOM 475 CG ASP A 34 -0.440 14.269 -0.890 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.422 14.201 -1.660 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.519 15.046 -1.072 1.00 0.00 O ATOM 0 H ASP A 34 -0.783 12.137 2.468 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.562 14.926 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.621 13.113 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.918 12.425 0.084 1.00 0.00 H new ATOM 482 N ASP A 35 -2.822 15.608 1.039 1.00 0.00 N ATOM 483 CA ASP A 35 -4.178 16.061 0.737 1.00 0.00 C ATOM 484 C ASP A 35 -4.746 15.345 -0.485 1.00 0.00 C ATOM 485 O ASP A 35 -5.835 14.772 -0.427 1.00 0.00 O ATOM 486 CB ASP A 35 -4.192 17.574 0.506 1.00 0.00 C ATOM 487 CG ASP A 35 -5.564 18.088 0.119 1.00 0.00 C ATOM 488 OD1 ASP A 35 -6.352 18.424 1.029 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.852 18.156 -1.095 1.00 0.00 O ATOM 0 H ASP A 35 -2.130 16.356 1.086 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.807 15.820 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.860 18.080 1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.478 17.825 -0.279 1.00 0.00 H new ATOM 494 N GLU A 36 -4.004 15.381 -1.587 1.00 0.00 N ATOM 495 CA GLU A 36 -4.440 14.741 -2.825 1.00 0.00 C ATOM 496 C GLU A 36 -4.671 13.245 -2.625 1.00 0.00 C ATOM 497 O GLU A 36 -5.483 12.635 -3.321 1.00 0.00 O ATOM 498 CB GLU A 36 -3.408 14.965 -3.933 1.00 0.00 C ATOM 499 CG GLU A 36 -3.800 14.347 -5.265 1.00 0.00 C ATOM 500 CD GLU A 36 -5.093 14.916 -5.815 1.00 0.00 C ATOM 501 OE1 GLU A 36 -6.172 14.403 -5.449 1.00 0.00 O ATOM 502 OE2 GLU A 36 -5.028 15.877 -6.612 1.00 0.00 O ATOM 0 H GLU A 36 -3.098 15.846 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.386 15.196 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.260 16.036 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.452 14.549 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.000 14.511 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.905 13.269 -5.144 1.00 0.00 H new ATOM 509 N PHE A 37 -3.957 12.657 -1.669 1.00 0.00 N ATOM 510 CA PHE A 37 -4.089 11.232 -1.388 1.00 0.00 C ATOM 511 C PHE A 37 -5.414 10.932 -0.693 1.00 0.00 C ATOM 512 O PHE A 37 -6.100 9.971 -1.034 1.00 0.00 O ATOM 513 CB PHE A 37 -2.924 10.749 -0.525 1.00 0.00 C ATOM 514 CG PHE A 37 -3.006 9.291 -0.166 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.804 8.314 -1.127 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.287 8.900 1.134 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.881 6.973 -0.801 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.365 7.561 1.467 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.162 6.596 0.498 1.00 0.00 C ATOM 0 H PHE A 37 -3.283 13.144 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.071 10.699 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.989 10.932 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.892 11.339 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.584 8.604 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.447 9.650 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.722 6.222 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.584 7.269 2.483 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.223 5.549 0.756 1.00 0.00 H new ATOM 529 N GLN A 38 -5.763 11.760 0.287 1.00 0.00 N ATOM 530 CA GLN A 38 -7.007 11.584 1.029 1.00 0.00 C ATOM 531 C GLN A 38 -8.211 11.830 0.127 1.00 0.00 C ATOM 532 O GLN A 38 -9.253 11.190 0.274 1.00 0.00 O ATOM 533 CB GLN A 38 -7.049 12.535 2.226 1.00 0.00 C ATOM 534 CG GLN A 38 -5.915 12.321 3.214 1.00 0.00 C ATOM 535 CD GLN A 38 -5.934 13.328 4.347 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.993 13.813 4.746 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.758 13.651 4.872 1.00 0.00 N ATOM 0 H GLN A 38 -5.203 12.558 0.586 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.047 10.556 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.015 13.563 1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.000 12.411 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.982 11.314 3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.962 12.388 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.904 13.225 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.708 14.325 5.636 1.00 0.00 H new ATOM 546 N LEU A 39 -8.059 12.762 -0.808 1.00 0.00 N ATOM 547 CA LEU A 39 -9.129 13.101 -1.739 1.00 0.00 C ATOM 548 C LEU A 39 -9.378 11.953 -2.715 1.00 0.00 C ATOM 549 O LEU A 39 -10.517 11.536 -2.923 1.00 0.00 O ATOM 550 CB LEU A 39 -8.767 14.377 -2.511 1.00 0.00 C ATOM 551 CG LEU A 39 -9.950 15.243 -2.963 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.869 14.470 -3.896 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.724 15.763 -1.759 1.00 0.00 C ATOM 0 H LEU A 39 -7.201 13.298 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.042 13.274 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.115 14.985 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.190 14.095 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.552 16.096 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.699 15.108 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.311 14.155 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.257 13.592 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.559 16.375 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.104 14.922 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.064 16.365 -1.135 1.00 0.00 H new ATOM 565 N LEU A 40 -8.301 11.447 -3.305 1.00 0.00 N ATOM 566 CA LEU A 40 -8.391 10.353 -4.267 1.00 0.00 C ATOM 567 C LEU A 40 -8.900 9.075 -3.607 1.00 0.00 C ATOM 568 O LEU A 40 -9.816 8.426 -4.113 1.00 0.00 O ATOM 569 CB LEU A 40 -7.023 10.107 -4.911 1.00 0.00 C ATOM 570 CG LEU A 40 -6.971 8.956 -5.920 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.019 9.290 -7.058 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.543 7.664 -5.237 1.00 0.00 C ATOM 0 H LEU A 40 -7.352 11.778 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.105 10.639 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.706 11.022 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.299 9.909 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.971 8.815 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.994 8.462 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.361 10.191 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.019 9.456 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.512 6.858 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.553 7.794 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.257 7.414 -4.452 1.00 0.00 H new ATOM 584 N GLN A 41 -8.299 8.719 -2.476 1.00 0.00 N ATOM 585 CA GLN A 41 -8.682 7.513 -1.749 1.00 0.00 C ATOM 586 C GLN A 41 -10.166 7.528 -1.392 1.00 0.00 C ATOM 587 O GLN A 41 -10.880 6.557 -1.636 1.00 0.00 O ATOM 588 CB GLN A 41 -7.841 7.368 -0.478 1.00 0.00 C ATOM 589 CG GLN A 41 -8.135 6.098 0.302 1.00 0.00 C ATOM 590 CD GLN A 41 -7.225 5.925 1.503 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.766 6.903 2.094 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.962 4.677 1.870 1.00 0.00 N ATOM 0 H GLN A 41 -7.543 9.249 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.497 6.659 -2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.785 7.383 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.018 8.230 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.172 6.114 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.026 5.238 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.365 3.897 1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.357 4.498 2.672 1.00 0.00 H new ATOM 601 N ARG A 42 -10.624 8.634 -0.815 1.00 0.00 N ATOM 602 CA ARG A 42 -12.024 8.770 -0.421 1.00 0.00 C ATOM 603 C ARG A 42 -12.944 8.785 -1.641 1.00 0.00 C ATOM 604 O ARG A 42 -14.081 8.316 -1.576 1.00 0.00 O ATOM 605 CB ARG A 42 -12.220 10.049 0.395 1.00 0.00 C ATOM 606 CG ARG A 42 -13.660 10.281 0.828 1.00 0.00 C ATOM 607 CD ARG A 42 -13.811 11.591 1.583 1.00 0.00 C ATOM 608 NE ARG A 42 -15.197 11.840 1.971 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.573 12.823 2.785 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.670 13.649 3.295 1.00 0.00 N ATOM 611 NH2 ARG A 42 -16.853 12.980 3.089 1.00 0.00 N ATOM 0 H ARG A 42 -10.047 9.450 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.286 7.907 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.586 10.006 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.885 10.902 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.308 10.288 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.988 9.456 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.183 11.571 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.455 12.412 0.960 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.919 11.224 1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.684 13.532 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.962 14.402 3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.551 12.347 2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.140 13.734 3.713 1.00 0.00 H new ATOM 625 N ASN A 43 -12.447 9.325 -2.749 1.00 0.00 N ATOM 626 CA ASN A 43 -13.228 9.411 -3.979 1.00 0.00 C ATOM 627 C ASN A 43 -13.613 8.026 -4.495 1.00 0.00 C ATOM 628 O ASN A 43 -14.776 7.777 -4.815 1.00 0.00 O ATOM 629 CB ASN A 43 -12.443 10.167 -5.052 1.00 0.00 C ATOM 630 CG ASN A 43 -13.221 10.311 -6.345 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.176 9.438 -7.212 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.936 11.421 -6.483 1.00 0.00 N ATOM 0 H ASN A 43 -11.505 9.710 -2.821 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.145 9.954 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.181 11.156 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.508 9.643 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.477 11.577 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.944 12.118 -5.738 1.00 0.00 H new ATOM 639 N PHE A 44 -12.635 7.129 -4.571 1.00 0.00 N ATOM 640 CA PHE A 44 -12.880 5.774 -5.057 1.00 0.00 C ATOM 641 C PHE A 44 -13.547 4.910 -3.991 1.00 0.00 C ATOM 642 O PHE A 44 -14.502 4.190 -4.277 1.00 0.00 O ATOM 643 CB PHE A 44 -11.571 5.125 -5.511 1.00 0.00 C ATOM 644 CG PHE A 44 -11.063 5.654 -6.822 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.574 5.183 -8.020 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.074 6.625 -6.855 1.00 0.00 C ATOM 647 CE1 PHE A 44 -11.110 5.669 -9.227 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.606 7.115 -8.058 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.124 6.636 -9.247 1.00 0.00 C ATOM 0 H PHE A 44 -11.668 7.314 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.558 5.846 -5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.811 5.284 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.719 4.048 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.345 4.426 -8.010 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.665 7.002 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.518 5.293 -10.154 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.836 7.872 -8.070 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.759 7.017 -10.189 1.00 0.00 H new ATOM 659 N MET A 45 -13.039 4.984 -2.764 1.00 0.00 N ATOM 660 CA MET A 45 -13.590 4.202 -1.662 1.00 0.00 C ATOM 661 C MET A 45 -15.078 4.482 -1.476 1.00 0.00 C ATOM 662 O MET A 45 -15.813 3.649 -0.946 1.00 0.00 O ATOM 663 CB MET A 45 -12.835 4.494 -0.365 1.00 0.00 C ATOM 664 CG MET A 45 -11.457 3.853 -0.307 1.00 0.00 C ATOM 665 SD MET A 45 -10.680 4.013 1.313 1.00 0.00 S ATOM 666 CE MET A 45 -11.789 3.032 2.320 1.00 0.00 C ATOM 0 H MET A 45 -12.249 5.576 -2.508 1.00 0.00 H new ATOM 0 HA MET A 45 -13.470 3.148 -1.911 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.730 5.573 -0.250 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.427 4.140 0.479 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.542 2.797 -0.562 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.816 4.312 -1.060 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.275 2.721 3.230 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.664 3.626 2.582 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.103 2.150 1.762 1.00 0.00 H new ATOM 676 N ASP A 46 -15.517 5.661 -1.908 1.00 0.00 N ATOM 677 CA ASP A 46 -16.920 6.043 -1.794 1.00 0.00 C ATOM 678 C ASP A 46 -17.808 5.087 -2.586 1.00 0.00 C ATOM 679 O ASP A 46 -18.959 4.848 -2.224 1.00 0.00 O ATOM 680 CB ASP A 46 -17.124 7.475 -2.290 1.00 0.00 C ATOM 681 CG ASP A 46 -18.564 7.930 -2.166 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.952 8.380 -1.066 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.307 7.834 -3.165 1.00 0.00 O ATOM 0 H ASP A 46 -14.921 6.367 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.202 5.988 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.483 8.148 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.813 7.543 -3.332 1.00 0.00 H new ATOM 688 N LYS A 47 -17.262 4.550 -3.673 1.00 0.00 N ATOM 689 CA LYS A 47 -17.997 3.620 -4.523 1.00 0.00 C ATOM 690 C LYS A 47 -17.715 2.176 -4.126 1.00 0.00 C ATOM 691 O LYS A 47 -18.626 1.353 -4.040 1.00 0.00 O ATOM 692 CB LYS A 47 -17.610 3.833 -5.986 1.00 0.00 C ATOM 693 CG LYS A 47 -18.579 3.202 -6.973 1.00 0.00 C ATOM 694 CD LYS A 47 -19.937 3.884 -6.936 1.00 0.00 C ATOM 695 CE LYS A 47 -20.915 3.232 -7.899 1.00 0.00 C ATOM 696 NZ LYS A 47 -20.435 3.296 -9.307 1.00 0.00 N ATOM 0 H LYS A 47 -16.311 4.744 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.062 3.813 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.549 4.903 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.615 3.420 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.167 3.265 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.696 2.143 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.339 3.842 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.823 4.938 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.065 2.191 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.883 3.726 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.213 3.046 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.107 4.260 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.650 2.627 -9.437 1.00 0.00 H new ATOM 710 N TYR A 48 -16.442 1.876 -3.893 1.00 0.00 N ATOM 711 CA TYR A 48 -16.022 0.531 -3.511 1.00 0.00 C ATOM 712 C TYR A 48 -16.790 0.029 -2.290 1.00 0.00 C ATOM 713 O TYR A 48 -17.388 -1.046 -2.323 1.00 0.00 O ATOM 714 CB TYR A 48 -14.521 0.504 -3.212 1.00 0.00 C ATOM 715 CG TYR A 48 -13.641 0.463 -4.443 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.716 1.454 -5.413 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.724 -0.565 -4.627 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.906 1.422 -6.532 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.911 -0.605 -5.745 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.006 0.391 -6.693 1.00 0.00 C ATOM 721 OH TYR A 48 -11.195 0.356 -7.805 1.00 0.00 O ATOM 0 H TYR A 48 -15.679 2.549 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.240 -0.128 -4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.264 1.386 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.301 -0.366 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.420 2.264 -5.291 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.645 -1.345 -3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.978 2.201 -7.277 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.205 -1.412 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.613 0.864 -8.531 1.00 0.00 H new ATOM 731 N TYR A 49 -16.771 0.816 -1.217 1.00 0.00 N ATOM 732 CA TYR A 49 -17.448 0.439 0.022 1.00 0.00 C ATOM 733 C TYR A 49 -18.936 0.170 -0.210 1.00 0.00 C ATOM 734 O TYR A 49 -19.584 -0.501 0.594 1.00 0.00 O ATOM 735 CB TYR A 49 -17.247 1.522 1.094 1.00 0.00 C ATOM 736 CG TYR A 49 -18.433 2.440 1.301 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.616 3.565 0.508 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.367 2.185 2.299 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.696 4.407 0.699 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.449 3.022 2.497 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.608 4.131 1.695 1.00 0.00 C ATOM 742 OH TYR A 49 -21.683 4.968 1.888 1.00 0.00 O ATOM 0 H TYR A 49 -16.295 1.717 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.001 -0.489 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.012 1.036 2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.381 2.126 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.902 3.786 -0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.245 1.318 2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.824 5.276 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.166 2.808 3.276 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.231 4.632 2.628 1.00 0.00 H new ATOM 752 N LEU A 50 -19.472 0.693 -1.309 1.00 0.00 N ATOM 753 CA LEU A 50 -20.881 0.493 -1.638 1.00 0.00 C ATOM 754 C LEU A 50 -21.104 -0.884 -2.256 1.00 0.00 C ATOM 755 O LEU A 50 -22.077 -1.567 -1.940 1.00 0.00 O ATOM 756 CB LEU A 50 -21.372 1.577 -2.601 1.00 0.00 C ATOM 757 CG LEU A 50 -21.522 2.973 -1.992 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.851 3.990 -3.074 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.599 2.973 -0.918 1.00 0.00 C ATOM 0 H LEU A 50 -18.955 1.256 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.451 0.559 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.678 1.637 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.336 1.270 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.575 3.252 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.955 4.978 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.049 4.009 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.786 3.713 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.692 3.974 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.551 2.675 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.327 2.271 -0.130 1.00 0.00 H new ATOM 771 N GLU A 51 -20.193 -1.282 -3.139 1.00 0.00 N ATOM 772 CA GLU A 51 -20.287 -2.575 -3.808 1.00 0.00 C ATOM 773 C GLU A 51 -20.017 -3.720 -2.836 1.00 0.00 C ATOM 774 O GLU A 51 -20.675 -4.760 -2.891 1.00 0.00 O ATOM 775 CB GLU A 51 -19.294 -2.642 -4.970 1.00 0.00 C ATOM 776 CG GLU A 51 -19.566 -1.623 -6.065 1.00 0.00 C ATOM 777 CD GLU A 51 -20.906 -1.837 -6.742 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.914 -1.287 -6.251 1.00 0.00 O ATOM 779 OE2 GLU A 51 -20.948 -2.556 -7.763 1.00 0.00 O ATOM 0 H GLU A 51 -19.381 -0.727 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.302 -2.680 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.286 -2.488 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.321 -3.642 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.535 -0.620 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.773 -1.677 -6.811 1.00 0.00 H new ATOM 786 N PHE A 52 -19.049 -3.523 -1.948 1.00 0.00 N ATOM 787 CA PHE A 52 -18.691 -4.543 -0.971 1.00 0.00 C ATOM 788 C PHE A 52 -19.679 -4.566 0.190 1.00 0.00 C ATOM 789 O PHE A 52 -19.465 -3.919 1.216 1.00 0.00 O ATOM 790 CB PHE A 52 -17.273 -4.308 -0.447 1.00 0.00 C ATOM 791 CG PHE A 52 -16.196 -4.722 -1.409 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.814 -3.887 -2.447 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.564 -5.947 -1.275 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.824 -4.266 -3.333 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.572 -6.332 -2.156 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.201 -5.490 -3.186 1.00 0.00 C ATOM 0 H PHE A 52 -18.499 -2.667 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.729 -5.511 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.152 -3.250 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.145 -4.857 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.296 -2.928 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.850 -6.610 -0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.538 -3.607 -4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.087 -7.290 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.425 -5.788 -3.875 1.00 0.00 H new ATOM 806 N GLU A 53 -20.768 -5.308 0.015 1.00 0.00 N ATOM 807 CA GLU A 53 -21.788 -5.426 1.050 1.00 0.00 C ATOM 808 C GLU A 53 -21.581 -6.702 1.858 1.00 0.00 C ATOM 809 O GLU A 53 -21.028 -7.680 1.357 1.00 0.00 O ATOM 810 CB GLU A 53 -23.186 -5.425 0.428 1.00 0.00 C ATOM 811 CG GLU A 53 -23.522 -4.141 -0.312 1.00 0.00 C ATOM 812 CD GLU A 53 -24.946 -4.127 -0.833 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.169 -4.602 -1.967 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.838 -3.642 -0.107 1.00 0.00 O ATOM 0 H GLU A 53 -20.966 -5.837 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.699 -4.568 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.268 -6.264 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.924 -5.585 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.374 -3.292 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.832 -4.015 -1.146 1.00 0.00 H new ATOM 821 N ASP A 54 -22.028 -6.687 3.109 1.00 0.00 N ATOM 822 CA ASP A 54 -21.888 -7.846 3.981 1.00 0.00 C ATOM 823 C ASP A 54 -22.772 -8.992 3.498 1.00 0.00 C ATOM 824 O ASP A 54 -23.923 -9.120 3.914 1.00 0.00 O ATOM 825 CB ASP A 54 -22.244 -7.478 5.422 1.00 0.00 C ATOM 826 CG ASP A 54 -21.970 -8.610 6.393 1.00 0.00 C ATOM 827 OD1 ASP A 54 -20.830 -8.697 6.895 1.00 0.00 O ATOM 828 OD2 ASP A 54 -22.895 -9.409 6.650 1.00 0.00 O ATOM 0 H ASP A 54 -22.489 -5.886 3.541 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.848 -8.172 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.672 -6.600 5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.298 -7.205 5.475 1.00 0.00 H new ATOM 833 N THR A 55 -22.226 -9.818 2.609 1.00 0.00 N ATOM 834 CA THR A 55 -22.964 -10.951 2.062 1.00 0.00 C ATOM 835 C THR A 55 -22.141 -12.233 2.144 1.00 0.00 C ATOM 836 O THR A 55 -21.075 -12.259 2.761 1.00 0.00 O ATOM 837 CB THR A 55 -23.368 -10.703 0.597 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.202 -10.463 -0.199 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.313 -9.516 0.489 1.00 0.00 C ATOM 0 H THR A 55 -21.275 -9.723 2.253 1.00 0.00 H new ATOM 0 HA THR A 55 -23.866 -11.063 2.664 1.00 0.00 H new ATOM 0 HB THR A 55 -23.882 -11.592 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.467 -10.308 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.584 -9.361 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.213 -9.713 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.820 -8.623 0.873 1.00 0.00 H new ATOM 847 N GLU A 56 -22.640 -13.295 1.518 1.00 0.00 N ATOM 848 CA GLU A 56 -21.951 -14.581 1.526 1.00 0.00 C ATOM 849 C GLU A 56 -21.859 -15.165 0.119 1.00 0.00 C ATOM 850 O GLU A 56 -21.421 -16.300 -0.063 1.00 0.00 O ATOM 851 CB GLU A 56 -22.671 -15.564 2.455 1.00 0.00 C ATOM 852 CG GLU A 56 -24.051 -15.980 1.964 1.00 0.00 C ATOM 853 CD GLU A 56 -25.036 -14.827 1.928 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.591 -14.487 2.994 1.00 0.00 O ATOM 855 OE2 GLU A 56 -25.253 -14.266 0.834 1.00 0.00 O ATOM 0 H GLU A 56 -23.518 -13.290 0.999 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.938 -14.417 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.054 -16.455 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.769 -15.111 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.962 -16.407 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.441 -16.764 2.613 1.00 0.00 H new ATOM 862 N GLU A 57 -22.273 -14.381 -0.873 1.00 0.00 N ATOM 863 CA GLU A 57 -22.238 -14.824 -2.263 1.00 0.00 C ATOM 864 C GLU A 57 -21.040 -14.233 -3.000 1.00 0.00 C ATOM 865 O GLU A 57 -20.659 -13.085 -2.768 1.00 0.00 O ATOM 866 CB GLU A 57 -23.535 -14.437 -2.975 1.00 0.00 C ATOM 867 CG GLU A 57 -24.765 -15.135 -2.417 1.00 0.00 C ATOM 868 CD GLU A 57 -26.039 -14.731 -3.131 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.382 -15.374 -4.146 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.694 -13.770 -2.675 1.00 0.00 O ATOM 0 H GLU A 57 -22.636 -13.437 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.138 -15.909 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.674 -13.358 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.443 -14.673 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.634 -16.214 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.859 -14.904 -1.356 1.00 0.00 H new ATOM 877 N ASN A 58 -20.451 -15.028 -3.889 1.00 0.00 N ATOM 878 CA ASN A 58 -19.294 -14.592 -4.664 1.00 0.00 C ATOM 879 C ASN A 58 -19.713 -14.122 -6.054 1.00 0.00 C ATOM 880 O ASN A 58 -20.148 -14.920 -6.884 1.00 0.00 O ATOM 881 CB ASN A 58 -18.276 -15.730 -4.787 1.00 0.00 C ATOM 882 CG ASN A 58 -17.579 -16.043 -3.475 1.00 0.00 C ATOM 883 OD1 ASN A 58 -16.405 -16.411 -3.459 1.00 0.00 O ATOM 884 ND2 ASN A 58 -18.300 -15.911 -2.366 1.00 0.00 N ATOM 0 H ASN A 58 -20.757 -15.980 -4.091 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.834 -13.755 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.782 -16.626 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.529 -15.464 -5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.882 -16.118 -1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.271 -15.603 -2.422 1.00 0.00 H new ATOM 891 N LYS A 59 -19.575 -12.821 -6.303 1.00 0.00 N ATOM 892 CA LYS A 59 -19.937 -12.246 -7.595 1.00 0.00 C ATOM 893 C LYS A 59 -18.705 -12.067 -8.475 1.00 0.00 C ATOM 894 O LYS A 59 -17.584 -11.963 -7.981 1.00 0.00 O ATOM 895 CB LYS A 59 -20.637 -10.900 -7.405 1.00 0.00 C ATOM 896 CG LYS A 59 -21.962 -10.997 -6.668 1.00 0.00 C ATOM 897 CD LYS A 59 -22.598 -9.629 -6.493 1.00 0.00 C ATOM 898 CE LYS A 59 -23.957 -9.727 -5.819 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.863 -10.350 -4.470 1.00 0.00 N ATOM 0 H LYS A 59 -19.215 -12.147 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.621 -12.936 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.975 -10.231 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.808 -10.449 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.640 -11.648 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.805 -11.455 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.941 -8.995 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.707 -9.151 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.391 -8.731 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.631 -10.313 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.761 -10.217 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.669 -11.367 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.093 -9.902 -3.934 1.00 0.00 H new ATOM 913 N LEU A 60 -18.924 -12.030 -9.785 1.00 0.00 N ATOM 914 CA LEU A 60 -17.833 -11.862 -10.738 1.00 0.00 C ATOM 915 C LEU A 60 -17.420 -10.396 -10.846 1.00 0.00 C ATOM 916 O LEU A 60 -16.413 -10.072 -11.475 1.00 0.00 O ATOM 917 CB LEU A 60 -18.241 -12.395 -12.116 1.00 0.00 C ATOM 918 CG LEU A 60 -18.293 -13.922 -12.251 1.00 0.00 C ATOM 919 CD1 LEU A 60 -16.939 -14.539 -11.931 1.00 0.00 C ATOM 920 CD2 LEU A 60 -19.375 -14.508 -11.356 1.00 0.00 C ATOM 0 H LEU A 60 -19.847 -12.114 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.979 -12.433 -10.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.223 -11.993 -12.364 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.542 -12.007 -12.857 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.541 -14.161 -13.285 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.000 -15.623 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -16.190 -14.151 -12.621 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.656 -14.286 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -19.393 -15.592 -11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -19.164 -14.255 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -20.344 -14.098 -11.640 1.00 0.00 H new ATOM 932 N ILE A 61 -18.204 -9.514 -10.232 1.00 0.00 N ATOM 933 CA ILE A 61 -17.919 -8.083 -10.266 1.00 0.00 C ATOM 934 C ILE A 61 -16.697 -7.744 -9.412 1.00 0.00 C ATOM 935 O ILE A 61 -16.117 -6.663 -9.537 1.00 0.00 O ATOM 936 CB ILE A 61 -19.131 -7.257 -9.780 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.911 -5.766 -10.052 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.385 -7.499 -8.300 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.890 -5.412 -11.524 1.00 0.00 C ATOM 0 H ILE A 61 -19.041 -9.765 -9.705 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.710 -7.823 -11.304 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.011 -7.581 -10.336 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.700 -5.196 -9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.968 -5.459 -9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.242 -6.909 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.590 -8.557 -8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.505 -7.205 -7.727 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.730 -4.340 -11.638 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.083 -5.954 -12.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.842 -5.687 -11.978 1.00 0.00 H new ATOM 951 N TYR A 62 -16.303 -8.677 -8.552 1.00 0.00 N ATOM 952 CA TYR A 62 -15.149 -8.470 -7.684 1.00 0.00 C ATOM 953 C TYR A 62 -13.847 -8.511 -8.479 1.00 0.00 C ATOM 954 O TYR A 62 -12.807 -8.065 -7.997 1.00 0.00 O ATOM 955 CB TYR A 62 -15.113 -9.524 -6.574 1.00 0.00 C ATOM 956 CG TYR A 62 -16.202 -9.355 -5.536 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.256 -8.222 -4.735 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.172 -10.333 -5.355 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.245 -8.067 -3.782 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.166 -10.185 -4.406 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.197 -9.052 -3.622 1.00 0.00 C ATOM 962 OH TYR A 62 -19.184 -8.901 -2.675 1.00 0.00 O ATOM 0 H TYR A 62 -16.763 -9.580 -8.437 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.248 -7.482 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.202 -10.514 -7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.143 -9.484 -6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.512 -7.449 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.149 -11.223 -5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.272 -7.180 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.914 -10.953 -4.280 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.775 -9.683 -2.691 1.00 0.00 H new ATOM 972 N THR A 63 -13.907 -9.045 -9.697 1.00 0.00 N ATOM 973 CA THR A 63 -12.720 -9.134 -10.543 1.00 0.00 C ATOM 974 C THR A 63 -12.367 -7.774 -11.154 1.00 0.00 C ATOM 975 O THR A 63 -11.229 -7.321 -11.030 1.00 0.00 O ATOM 976 CB THR A 63 -12.891 -10.180 -11.665 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.190 -11.461 -11.098 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.629 -10.280 -12.512 1.00 0.00 C ATOM 0 H THR A 63 -14.758 -9.420 -10.117 1.00 0.00 H new ATOM 0 HA THR A 63 -11.902 -9.454 -9.898 1.00 0.00 H new ATOM 0 HB THR A 63 -13.715 -9.862 -12.304 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.299 -12.119 -11.816 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.775 -11.024 -13.296 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.417 -9.312 -12.965 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.790 -10.576 -11.882 1.00 0.00 H new ATOM 986 N PRO A 64 -13.325 -7.095 -11.825 1.00 0.00 N ATOM 987 CA PRO A 64 -13.071 -5.781 -12.426 1.00 0.00 C ATOM 988 C PRO A 64 -12.778 -4.717 -11.373 1.00 0.00 C ATOM 989 O PRO A 64 -11.899 -3.875 -11.558 1.00 0.00 O ATOM 990 CB PRO A 64 -14.371 -5.455 -13.167 1.00 0.00 C ATOM 991 CG PRO A 64 -15.408 -6.290 -12.504 1.00 0.00 C ATOM 992 CD PRO A 64 -14.709 -7.546 -12.071 1.00 0.00 C ATOM 0 HA PRO A 64 -12.196 -5.797 -13.076 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.612 -4.394 -13.095 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.291 -5.692 -14.228 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.841 -5.770 -11.650 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.226 -6.514 -13.189 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.160 -7.969 -11.173 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.751 -8.316 -12.841 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.518 -4.759 -10.266 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.328 -3.797 -9.186 1.00 0.00 C ATOM 1002 C ILE A 65 -11.935 -3.928 -8.578 1.00 0.00 C ATOM 1003 O ILE A 65 -11.232 -2.934 -8.391 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.383 -3.976 -8.074 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.791 -3.760 -8.636 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.114 -3.012 -6.927 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.894 -4.046 -7.638 1.00 0.00 C ATOM 0 H ILE A 65 -14.252 -5.447 -10.095 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.442 -2.805 -9.622 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.315 -4.995 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.882 -2.729 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.927 -4.400 -9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.867 -3.151 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.125 -3.207 -6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.157 -1.987 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.863 -3.872 -8.106 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.830 -5.084 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.784 -3.388 -6.776 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.542 -5.161 -8.271 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.233 -5.421 -7.683 1.00 0.00 C ATOM 1021 C PHE A 66 -9.119 -4.948 -8.610 1.00 0.00 C ATOM 1022 O PHE A 66 -8.228 -4.207 -8.194 1.00 0.00 O ATOM 1023 CB PHE A 66 -10.074 -6.914 -7.389 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.798 -7.261 -6.677 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.665 -7.035 -5.316 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.733 -7.818 -7.367 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.495 -7.360 -4.656 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.561 -8.144 -6.713 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.440 -7.915 -5.356 1.00 0.00 C ATOM 0 H PHE A 66 -12.111 -5.994 -8.420 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.161 -4.865 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.918 -7.247 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.116 -7.466 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.485 -6.600 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.820 -7.999 -8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.405 -7.181 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.739 -8.578 -7.263 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.524 -8.169 -4.844 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.178 -5.377 -9.869 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.175 -4.997 -10.858 1.00 0.00 C ATOM 1041 C ASN A 67 -8.053 -3.479 -10.954 1.00 0.00 C ATOM 1042 O ASN A 67 -6.973 -2.947 -11.213 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.528 -5.580 -12.228 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.516 -7.096 -12.234 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.769 -7.725 -11.485 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.345 -7.691 -13.083 1.00 0.00 N ATOM 0 H ASN A 67 -9.911 -5.989 -10.227 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.215 -5.402 -10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.515 -5.226 -12.526 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.820 -5.211 -12.970 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.380 -8.709 -13.133 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.947 -7.130 -13.686 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.168 -2.788 -10.742 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.188 -1.331 -10.799 1.00 0.00 C ATOM 1055 C GLU A 68 -8.359 -0.740 -9.664 1.00 0.00 C ATOM 1056 O GLU A 68 -7.642 0.241 -9.850 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.627 -0.818 -10.719 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.744 0.693 -10.839 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.185 1.164 -10.874 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.780 1.177 -11.972 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.720 1.519 -9.802 1.00 0.00 O ATOM 0 H GLU A 68 -10.070 -3.214 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.753 -1.017 -11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.214 -1.283 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.064 -1.133 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.233 1.161 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.236 1.023 -11.745 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.465 -1.350 -8.487 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.729 -0.894 -7.315 1.00 0.00 C ATOM 1070 C TYR A 69 -6.234 -1.161 -7.478 1.00 0.00 C ATOM 1071 O TYR A 69 -5.395 -0.406 -6.982 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.258 -1.601 -6.063 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.711 -1.055 -4.764 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -6.514 -1.526 -4.236 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -8.398 -0.074 -4.060 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -6.018 -1.035 -3.043 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -7.907 0.424 -2.867 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.718 -0.060 -2.364 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.227 0.433 -1.176 1.00 0.00 O ATOM 0 H TYR A 69 -9.056 -2.164 -8.321 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.874 0.181 -7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.345 -1.523 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.016 -2.662 -6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.963 -2.288 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.330 0.306 -4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.088 -1.413 -2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.452 1.188 -2.332 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.847 -0.301 -0.650 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.913 -2.245 -8.177 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.526 -2.632 -8.411 1.00 0.00 C ATOM 1091 C ILE A 70 -3.854 -1.731 -9.446 1.00 0.00 C ATOM 1092 O ILE A 70 -2.641 -1.534 -9.416 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.430 -4.101 -8.877 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -5.134 -5.027 -7.877 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.974 -4.514 -9.057 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.512 -5.025 -6.496 1.00 0.00 C ATOM 0 H ILE A 70 -6.599 -2.874 -8.594 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.005 -2.520 -7.460 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.931 -4.189 -9.841 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.179 -4.729 -7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.123 -6.044 -8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.928 -5.552 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.505 -3.876 -9.805 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.446 -4.410 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.065 -5.704 -5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.475 -5.353 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.548 -4.017 -6.082 1.00 0.00 H new ATOM 1108 N SER A 71 -4.642 -1.194 -10.371 1.00 0.00 N ATOM 1109 CA SER A 71 -4.106 -0.327 -11.415 1.00 0.00 C ATOM 1110 C SER A 71 -4.197 1.148 -11.030 1.00 0.00 C ATOM 1111 O SER A 71 -3.434 1.974 -11.529 1.00 0.00 O ATOM 1112 CB SER A 71 -4.852 -0.562 -12.729 1.00 0.00 C ATOM 1113 OG SER A 71 -4.346 0.268 -13.760 1.00 0.00 O ATOM 0 H SER A 71 -5.650 -1.343 -10.420 1.00 0.00 H new ATOM 0 HA SER A 71 -3.053 -0.578 -11.540 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.759 -1.608 -13.021 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.915 -0.364 -12.588 1.00 0.00 H new ATOM 0 HG SER A 71 -4.839 0.097 -14.589 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.140 1.478 -10.155 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.327 2.861 -9.727 1.00 0.00 C ATOM 1121 C LEU A 72 -4.485 3.203 -8.498 1.00 0.00 C ATOM 1122 O LEU A 72 -3.603 4.059 -8.557 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.815 3.116 -9.442 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.213 4.567 -9.127 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.936 4.904 -7.669 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.495 5.546 -10.048 1.00 0.00 C ATOM 0 H LEU A 72 -5.784 0.811 -9.729 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.991 3.509 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.390 2.784 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.114 2.490 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.285 4.661 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.226 5.936 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.510 4.237 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.873 4.781 -7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.796 6.564 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.418 5.445 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.757 5.330 -11.084 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.760 2.522 -7.389 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.057 2.777 -6.133 1.00 0.00 C ATOM 1140 C VAL A 73 -2.625 2.249 -6.131 1.00 0.00 C ATOM 1141 O VAL A 73 -1.678 3.014 -5.950 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.819 2.168 -4.942 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.152 2.542 -3.625 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.271 2.619 -4.963 1.00 0.00 C ATOM 0 H VAL A 73 -5.466 1.788 -7.334 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.012 3.862 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.794 1.082 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.708 2.101 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.129 2.167 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.142 3.627 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.800 2.182 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.315 3.706 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.740 2.293 -5.891 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.470 0.942 -6.325 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.147 0.323 -6.320 1.00 0.00 C ATOM 1156 C GLU A 74 -0.190 1.042 -7.266 1.00 0.00 C ATOM 1157 O GLU A 74 0.981 1.241 -6.941 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.247 -1.154 -6.699 1.00 0.00 C ATOM 1159 CG GLU A 74 0.093 -1.873 -6.712 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.023 -3.316 -7.159 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.081 -3.571 -8.377 1.00 0.00 O ATOM 1162 OE2 GLU A 74 -0.218 -4.194 -6.291 1.00 0.00 O ATOM 0 H GLU A 74 -3.240 0.293 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.748 0.406 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.912 -1.656 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.704 -1.237 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.778 -1.345 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.528 -1.840 -5.713 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.687 1.429 -8.437 1.00 0.00 N ATOM 1170 CA LYS A 75 0.139 2.128 -9.414 1.00 0.00 C ATOM 1171 C LYS A 75 0.394 3.567 -8.973 1.00 0.00 C ATOM 1172 O LYS A 75 1.435 4.144 -9.282 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.524 2.110 -10.793 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.682 0.714 -11.378 1.00 0.00 C ATOM 1175 CD LYS A 75 0.664 0.065 -11.662 1.00 0.00 C ATOM 1176 CE LYS A 75 0.500 -1.346 -12.206 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.362 -1.377 -13.421 1.00 0.00 N ATOM 0 H LYS A 75 -1.651 1.272 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 75 1.095 1.610 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.506 2.577 -10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.067 2.717 -11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.247 0.091 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.261 0.770 -12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.217 0.671 -12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.256 0.037 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.480 -1.759 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.065 -1.984 -11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.273 -2.303 -13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.353 -1.220 -13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.062 -0.629 -14.079 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.565 4.140 -8.250 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.435 5.508 -7.757 1.00 0.00 C ATOM 1193 C TYR A 76 0.747 5.623 -6.798 1.00 0.00 C ATOM 1194 O TYR A 76 1.499 6.598 -6.836 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.727 5.943 -7.058 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.685 7.354 -6.513 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.828 8.449 -7.355 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.507 7.590 -5.155 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.794 9.739 -6.862 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.472 8.877 -4.653 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.616 9.947 -5.511 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.582 11.230 -5.014 1.00 0.00 O ATOM 0 H TYR A 76 -1.438 3.680 -7.993 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.255 6.166 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.555 5.861 -7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.935 5.254 -6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.968 8.289 -8.414 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.394 6.754 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.906 10.579 -7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.333 9.044 -3.595 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.451 11.201 -4.043 1.00 0.00 H new ATOM 1212 N ILE A 77 0.906 4.617 -5.943 1.00 0.00 N ATOM 1213 CA ILE A 77 1.995 4.599 -4.973 1.00 0.00 C ATOM 1214 C ILE A 77 3.342 4.405 -5.663 1.00 0.00 C ATOM 1215 O ILE A 77 4.281 5.168 -5.439 1.00 0.00 O ATOM 1216 CB ILE A 77 1.806 3.475 -3.934 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.445 3.603 -3.247 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.928 3.510 -2.905 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.096 2.417 -2.370 1.00 0.00 C ATOM 0 H ILE A 77 0.293 3.803 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 77 1.979 5.564 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 77 1.841 2.516 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.437 4.508 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.327 3.722 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.781 2.711 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.886 3.372 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.922 4.472 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.882 2.576 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.071 1.511 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.847 2.310 -1.587 1.00 0.00 H new ATOM 1231 N GLU A 78 3.424 3.378 -6.503 1.00 0.00 N ATOM 1232 CA GLU A 78 4.655 3.065 -7.221 1.00 0.00 C ATOM 1233 C GLU A 78 5.162 4.266 -8.016 1.00 0.00 C ATOM 1234 O GLU A 78 6.329 4.636 -7.912 1.00 0.00 O ATOM 1235 CB GLU A 78 4.431 1.875 -8.159 1.00 0.00 C ATOM 1236 CG GLU A 78 5.657 1.505 -8.977 1.00 0.00 C ATOM 1237 CD GLU A 78 5.450 0.253 -9.807 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.831 0.352 -10.887 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.908 -0.827 -9.376 1.00 0.00 O ATOM 0 H GLU A 78 2.649 2.746 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 78 5.413 2.807 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.124 1.011 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.609 2.107 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.913 2.335 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.504 1.356 -8.308 1.00 0.00 H new ATOM 1246 N GLU A 79 4.282 4.872 -8.803 1.00 0.00 N ATOM 1247 CA GLU A 79 4.653 6.026 -9.617 1.00 0.00 C ATOM 1248 C GLU A 79 5.236 7.152 -8.767 1.00 0.00 C ATOM 1249 O GLU A 79 6.329 7.645 -9.042 1.00 0.00 O ATOM 1250 CB GLU A 79 3.442 6.540 -10.399 1.00 0.00 C ATOM 1251 CG GLU A 79 2.985 5.601 -11.502 1.00 0.00 C ATOM 1252 CD GLU A 79 4.045 5.389 -12.566 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.114 6.210 -13.505 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.806 4.404 -12.459 1.00 0.00 O ATOM 0 H GLU A 79 3.308 4.585 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 79 5.422 5.698 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.616 6.703 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.687 7.508 -10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.716 4.639 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.085 6.004 -11.967 1.00 0.00 H new ATOM 1261 N GLN A 80 4.505 7.547 -7.729 1.00 0.00 N ATOM 1262 CA GLN A 80 4.942 8.628 -6.849 1.00 0.00 C ATOM 1263 C GLN A 80 6.276 8.318 -6.170 1.00 0.00 C ATOM 1264 O GLN A 80 7.041 9.229 -5.854 1.00 0.00 O ATOM 1265 CB GLN A 80 3.876 8.909 -5.788 1.00 0.00 C ATOM 1266 CG GLN A 80 2.575 9.454 -6.357 1.00 0.00 C ATOM 1267 CD GLN A 80 2.750 10.799 -7.035 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.614 11.590 -6.658 1.00 0.00 O ATOM 1269 NE2 GLN A 80 1.926 11.065 -8.042 1.00 0.00 N ATOM 0 H GLN A 80 3.607 7.135 -7.476 1.00 0.00 H new ATOM 0 HA GLN A 80 5.085 9.511 -7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.666 7.988 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.274 9.623 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.170 8.740 -7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.844 9.549 -5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.224 10.380 -8.321 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.995 11.955 -8.536 1.00 0.00 H new ATOM 1278 N LEU A 81 6.556 7.037 -5.949 1.00 0.00 N ATOM 1279 CA LEU A 81 7.797 6.634 -5.292 1.00 0.00 C ATOM 1280 C LEU A 81 8.974 6.674 -6.260 1.00 0.00 C ATOM 1281 O LEU A 81 10.069 7.119 -5.911 1.00 0.00 O ATOM 1282 CB LEU A 81 7.658 5.225 -4.710 1.00 0.00 C ATOM 1283 CG LEU A 81 6.712 5.100 -3.514 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.520 3.638 -3.138 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.243 5.888 -2.325 1.00 0.00 C ATOM 0 H LEU A 81 5.945 6.264 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 81 7.990 7.342 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.310 4.557 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.646 4.875 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 81 5.745 5.515 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.844 3.567 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.095 3.098 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.483 3.200 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.556 5.786 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.222 5.503 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.331 6.940 -2.596 1.00 0.00 H new ATOM 1297 N LEU A 82 8.732 6.213 -7.478 1.00 0.00 N ATOM 1298 CA LEU A 82 9.765 6.156 -8.505 1.00 0.00 C ATOM 1299 C LEU A 82 10.179 7.549 -8.969 1.00 0.00 C ATOM 1300 O LEU A 82 11.280 7.735 -9.484 1.00 0.00 O ATOM 1301 CB LEU A 82 9.272 5.325 -9.696 1.00 0.00 C ATOM 1302 CG LEU A 82 9.038 3.822 -9.437 1.00 0.00 C ATOM 1303 CD1 LEU A 82 10.064 2.990 -10.190 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.082 3.477 -7.954 1.00 0.00 C ATOM 0 H LEU A 82 7.821 5.870 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 82 10.644 5.681 -8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.338 5.759 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.997 5.423 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 82 8.037 3.588 -9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.886 1.932 -9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.976 3.184 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.066 3.257 -9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.912 2.408 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.058 3.741 -7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.307 4.034 -7.428 1.00 0.00 H new ATOM 1316 N GLN A 83 9.294 8.524 -8.786 1.00 0.00 N ATOM 1317 CA GLN A 83 9.580 9.898 -9.188 1.00 0.00 C ATOM 1318 C GLN A 83 10.861 10.404 -8.529 1.00 0.00 C ATOM 1319 O GLN A 83 11.456 11.383 -8.980 1.00 0.00 O ATOM 1320 CB GLN A 83 8.411 10.815 -8.831 1.00 0.00 C ATOM 1321 CG GLN A 83 7.205 10.646 -9.742 1.00 0.00 C ATOM 1322 CD GLN A 83 6.066 11.577 -9.379 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.896 11.946 -8.218 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.277 11.961 -10.376 1.00 0.00 N ATOM 0 H GLN A 83 8.375 8.389 -8.363 1.00 0.00 H new ATOM 0 HA GLN A 83 9.720 9.909 -10.269 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.109 10.621 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.746 11.851 -8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.505 10.830 -10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.857 9.614 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.455 11.630 -11.324 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.493 12.587 -10.194 1.00 0.00 H new ATOM 1333 N ARG A 84 11.279 9.733 -7.459 1.00 0.00 N ATOM 1334 CA ARG A 84 12.492 10.111 -6.743 1.00 0.00 C ATOM 1335 C ARG A 84 13.470 8.942 -6.670 1.00 0.00 C ATOM 1336 O ARG A 84 14.626 9.111 -6.279 1.00 0.00 O ATOM 1337 CB ARG A 84 12.149 10.592 -5.332 1.00 0.00 C ATOM 1338 CG ARG A 84 11.295 11.848 -5.309 1.00 0.00 C ATOM 1339 CD ARG A 84 10.847 12.188 -3.897 1.00 0.00 C ATOM 1340 NE ARG A 84 9.968 11.162 -3.343 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.317 11.290 -2.192 1.00 0.00 C ATOM 1342 NH1 ARG A 84 9.447 12.393 -1.468 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.533 10.311 -1.762 1.00 0.00 N ATOM 0 H ARG A 84 10.795 8.924 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 84 12.967 10.924 -7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.624 9.796 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.074 10.781 -4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.861 12.682 -5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.421 11.708 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.721 12.302 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.328 13.147 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 84 9.847 10.297 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.049 13.149 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.945 12.486 -0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.430 9.460 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.033 10.409 -0.878 1.00 0.00 H new ATOM 1357 N ILE A 85 12.998 7.756 -7.045 1.00 0.00 N ATOM 1358 CA ILE A 85 13.830 6.557 -7.023 1.00 0.00 C ATOM 1359 C ILE A 85 13.674 5.758 -8.317 1.00 0.00 C ATOM 1360 O ILE A 85 12.789 4.910 -8.425 1.00 0.00 O ATOM 1361 CB ILE A 85 13.478 5.648 -5.826 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.414 6.470 -4.536 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.499 4.525 -5.697 1.00 0.00 C ATOM 1364 CD1 ILE A 85 12.871 5.701 -3.349 1.00 0.00 C ATOM 0 H ILE A 85 12.043 7.600 -7.368 1.00 0.00 H new ATOM 0 HA ILE A 85 14.863 6.890 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 85 12.498 5.203 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.414 6.832 -4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.790 7.347 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.238 3.892 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.500 3.928 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.490 4.951 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.856 6.348 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.858 5.362 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.508 4.839 -3.152 1.00 0.00 H new ATOM 1376 N PRO A 86 14.532 6.022 -9.322 1.00 0.00 N ATOM 1377 CA PRO A 86 14.474 5.319 -10.607 1.00 0.00 C ATOM 1378 C PRO A 86 14.997 3.891 -10.512 1.00 0.00 C ATOM 1379 O PRO A 86 14.942 3.134 -11.481 1.00 0.00 O ATOM 1380 CB PRO A 86 15.375 6.162 -11.509 1.00 0.00 C ATOM 1381 CG PRO A 86 16.355 6.791 -10.581 1.00 0.00 C ATOM 1382 CD PRO A 86 15.618 7.024 -9.290 1.00 0.00 C ATOM 0 HA PRO A 86 13.452 5.220 -10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.876 5.546 -12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.801 6.915 -12.049 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.217 6.142 -10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.732 7.729 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.268 6.883 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.225 8.039 -9.231 1.00 0.00 H new ATOM 1390 N GLU A 87 15.503 3.531 -9.339 1.00 0.00 N ATOM 1391 CA GLU A 87 16.041 2.194 -9.112 1.00 0.00 C ATOM 1392 C GLU A 87 15.191 1.428 -8.102 1.00 0.00 C ATOM 1393 O GLU A 87 15.598 0.379 -7.604 1.00 0.00 O ATOM 1394 CB GLU A 87 17.485 2.280 -8.615 1.00 0.00 C ATOM 1395 CG GLU A 87 17.637 3.091 -7.339 1.00 0.00 C ATOM 1396 CD GLU A 87 19.058 3.095 -6.814 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.856 3.942 -7.268 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.374 2.253 -5.948 1.00 0.00 O ATOM 0 H GLU A 87 15.552 4.147 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 87 16.020 1.657 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.863 1.272 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.104 2.724 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.320 4.117 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.973 2.686 -6.575 1.00 0.00 H new ATOM 1405 N PHE A 88 14.008 1.959 -7.809 1.00 0.00 N ATOM 1406 CA PHE A 88 13.102 1.330 -6.853 1.00 0.00 C ATOM 1407 C PHE A 88 12.615 -0.023 -7.363 1.00 0.00 C ATOM 1408 O PHE A 88 12.434 -0.217 -8.565 1.00 0.00 O ATOM 1409 CB PHE A 88 11.903 2.239 -6.580 1.00 0.00 C ATOM 1410 CG PHE A 88 11.123 1.857 -5.355 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.574 2.210 -4.092 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.937 1.148 -5.465 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.859 1.860 -2.963 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.218 0.797 -4.339 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.679 1.153 -3.085 1.00 0.00 C ATOM 0 H PHE A 88 13.654 2.823 -8.220 1.00 0.00 H new ATOM 0 HA PHE A 88 13.654 1.172 -5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.254 3.265 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.239 2.219 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.495 2.765 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.571 0.867 -6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.223 2.139 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.295 0.244 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.118 0.879 -2.204 1.00 0.00 H new ATOM 1425 N ASN A 89 12.402 -0.954 -6.438 1.00 0.00 N ATOM 1426 CA ASN A 89 11.926 -2.287 -6.785 1.00 0.00 C ATOM 1427 C ASN A 89 10.763 -2.682 -5.881 1.00 0.00 C ATOM 1428 O ASN A 89 10.967 -3.185 -4.777 1.00 0.00 O ATOM 1429 CB ASN A 89 13.061 -3.308 -6.660 1.00 0.00 C ATOM 1430 CG ASN A 89 12.812 -4.571 -7.466 1.00 0.00 C ATOM 1431 OD1 ASN A 89 13.752 -5.210 -7.939 1.00 0.00 O ATOM 1432 ND2 ASN A 89 11.546 -4.942 -7.626 1.00 0.00 N ATOM 0 H ASN A 89 12.552 -0.808 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 89 11.580 -2.275 -7.819 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.993 -2.850 -6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.191 -3.573 -5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.325 -5.784 -8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.796 -4.385 -7.218 1.00 0.00 H new ATOM 1439 N MET A 90 9.543 -2.441 -6.355 1.00 0.00 N ATOM 1440 CA MET A 90 8.340 -2.758 -5.591 1.00 0.00 C ATOM 1441 C MET A 90 8.261 -4.247 -5.266 1.00 0.00 C ATOM 1442 O MET A 90 7.805 -4.633 -4.189 1.00 0.00 O ATOM 1443 CB MET A 90 7.094 -2.332 -6.368 1.00 0.00 C ATOM 1444 CG MET A 90 6.235 -1.315 -5.635 1.00 0.00 C ATOM 1445 SD MET A 90 5.598 -1.945 -4.070 1.00 0.00 S ATOM 1446 CE MET A 90 4.662 -0.532 -3.491 1.00 0.00 C ATOM 0 H MET A 90 9.362 -2.025 -7.269 1.00 0.00 H new ATOM 0 HA MET A 90 8.389 -2.207 -4.652 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.400 -1.912 -7.326 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.492 -3.215 -6.584 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.822 -0.416 -5.448 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.400 -1.024 -6.272 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.206 -0.767 -2.529 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.328 0.324 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.882 -0.291 -4.213 1.00 0.00 H new ATOM 1456 N ALA A 91 8.706 -5.079 -6.201 1.00 0.00 N ATOM 1457 CA ALA A 91 8.676 -6.526 -6.014 1.00 0.00 C ATOM 1458 C ALA A 91 9.540 -6.957 -4.832 1.00 0.00 C ATOM 1459 O ALA A 91 9.051 -7.579 -3.887 1.00 0.00 O ATOM 1460 CB ALA A 91 9.128 -7.228 -7.286 1.00 0.00 C ATOM 0 H ALA A 91 9.092 -4.777 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 91 7.648 -6.814 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.102 -8.307 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.462 -6.960 -8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.145 -6.920 -7.530 1.00 0.00 H new ATOM 1466 N ALA A 92 10.825 -6.620 -4.888 1.00 0.00 N ATOM 1467 CA ALA A 92 11.758 -6.980 -3.826 1.00 0.00 C ATOM 1468 C ALA A 92 11.455 -6.225 -2.535 1.00 0.00 C ATOM 1469 O ALA A 92 11.746 -6.708 -1.439 1.00 0.00 O ATOM 1470 CB ALA A 92 13.188 -6.710 -4.272 1.00 0.00 C ATOM 0 H ALA A 92 11.244 -6.098 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 92 11.641 -8.045 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.876 -6.982 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.410 -7.303 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.303 -5.651 -4.505 1.00 0.00 H new ATOM 1476 N PHE A 93 10.866 -5.042 -2.670 1.00 0.00 N ATOM 1477 CA PHE A 93 10.532 -4.219 -1.512 1.00 0.00 C ATOM 1478 C PHE A 93 9.419 -4.855 -0.687 1.00 0.00 C ATOM 1479 O PHE A 93 9.507 -4.920 0.538 1.00 0.00 O ATOM 1480 CB PHE A 93 10.113 -2.816 -1.958 1.00 0.00 C ATOM 1481 CG PHE A 93 9.829 -1.881 -0.817 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.828 -1.536 0.080 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.563 -1.347 -0.642 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.568 -0.677 1.131 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.298 -0.486 0.407 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.302 -0.152 1.294 1.00 0.00 C ATOM 0 H PHE A 93 10.610 -4.631 -3.568 1.00 0.00 H new ATOM 0 HA PHE A 93 11.422 -4.145 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.902 -2.390 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.224 -2.893 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.821 -1.943 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.774 -1.606 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.355 -0.417 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.307 -0.075 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.097 0.519 2.115 1.00 0.00 H new ATOM 1496 N THR A 94 8.374 -5.324 -1.364 1.00 0.00 N ATOM 1497 CA THR A 94 7.246 -5.951 -0.685 1.00 0.00 C ATOM 1498 C THR A 94 7.653 -7.265 -0.026 1.00 0.00 C ATOM 1499 O THR A 94 7.208 -7.576 1.079 1.00 0.00 O ATOM 1500 CB THR A 94 6.075 -6.212 -1.651 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.540 -6.926 -2.802 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.426 -4.906 -2.082 1.00 0.00 C ATOM 0 H THR A 94 8.286 -5.282 -2.379 1.00 0.00 H new ATOM 0 HA THR A 94 6.920 -5.251 0.084 1.00 0.00 H new ATOM 0 HB THR A 94 5.329 -6.812 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.947 -6.298 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.602 -5.117 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.046 -4.382 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.164 -4.282 -2.587 1.00 0.00 H new ATOM 1510 N THR A 95 8.499 -8.036 -0.706 1.00 0.00 N ATOM 1511 CA THR A 95 8.961 -9.313 -0.171 1.00 0.00 C ATOM 1512 C THR A 95 9.676 -9.113 1.163 1.00 0.00 C ATOM 1513 O THR A 95 9.480 -9.878 2.107 1.00 0.00 O ATOM 1514 CB THR A 95 9.911 -10.029 -1.151 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.286 -10.163 -2.433 1.00 0.00 O ATOM 1516 CG2 THR A 95 10.296 -11.406 -0.628 1.00 0.00 C ATOM 0 H THR A 95 8.876 -7.800 -1.624 1.00 0.00 H new ATOM 0 HA THR A 95 8.078 -9.935 -0.023 1.00 0.00 H new ATOM 0 HB THR A 95 10.814 -9.426 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.262 -9.290 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.967 -11.890 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.799 -11.303 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.399 -12.012 -0.505 1.00 0.00 H new ATOM 1524 N THR A 96 10.518 -8.088 1.225 1.00 0.00 N ATOM 1525 CA THR A 96 11.258 -7.775 2.443 1.00 0.00 C ATOM 1526 C THR A 96 10.370 -7.068 3.466 1.00 0.00 C ATOM 1527 O THR A 96 10.583 -7.185 4.673 1.00 0.00 O ATOM 1528 CB THR A 96 12.479 -6.885 2.135 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.308 -7.512 1.149 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.295 -6.624 3.392 1.00 0.00 C ATOM 0 H THR A 96 10.706 -7.458 0.445 1.00 0.00 H new ATOM 0 HA THR A 96 11.598 -8.722 2.862 1.00 0.00 H new ATOM 0 HB THR A 96 12.114 -5.932 1.753 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.937 -7.347 0.257 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.150 -5.994 3.146 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.673 -6.120 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.648 -7.571 3.800 1.00 0.00 H new ATOM 1538 N LEU A 97 9.375 -6.333 2.972 1.00 0.00 N ATOM 1539 CA LEU A 97 8.461 -5.587 3.836 1.00 0.00 C ATOM 1540 C LEU A 97 7.587 -6.516 4.679 1.00 0.00 C ATOM 1541 O LEU A 97 7.471 -6.333 5.892 1.00 0.00 O ATOM 1542 CB LEU A 97 7.576 -4.665 2.991 1.00 0.00 C ATOM 1543 CG LEU A 97 7.065 -3.409 3.704 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.480 -2.430 2.699 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.026 -3.767 4.757 1.00 0.00 C ATOM 0 H LEU A 97 9.181 -6.238 1.975 1.00 0.00 H new ATOM 0 HA LEU A 97 9.067 -4.991 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.138 -4.358 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.717 -5.237 2.639 1.00 0.00 H new ATOM 0 HG LEU A 97 7.910 -2.936 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.121 -1.543 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.248 -2.143 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.650 -2.901 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.679 -2.859 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.183 -4.267 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.472 -4.432 5.496 1.00 0.00 H new ATOM 1557 N GLN A 98 6.973 -7.507 4.035 1.00 0.00 N ATOM 1558 CA GLN A 98 6.100 -8.449 4.736 1.00 0.00 C ATOM 1559 C GLN A 98 6.792 -9.052 5.953 1.00 0.00 C ATOM 1560 O GLN A 98 6.137 -9.545 6.871 1.00 0.00 O ATOM 1561 CB GLN A 98 5.623 -9.556 3.791 1.00 0.00 C ATOM 1562 CG GLN A 98 6.750 -10.379 3.191 1.00 0.00 C ATOM 1563 CD GLN A 98 6.243 -11.567 2.396 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.193 -12.131 2.702 1.00 0.00 O ATOM 1565 NE2 GLN A 98 6.990 -11.955 1.369 1.00 0.00 N ATOM 0 H GLN A 98 7.063 -7.679 3.034 1.00 0.00 H new ATOM 0 HA GLN A 98 5.231 -7.891 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.951 -10.220 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.044 -9.107 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.354 -9.744 2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.402 -10.732 3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.854 -11.459 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.700 -12.749 0.799 1.00 0.00 H new ATOM 1574 N HIS A 99 8.118 -9.021 5.949 1.00 0.00 N ATOM 1575 CA HIS A 99 8.898 -9.549 7.058 1.00 0.00 C ATOM 1576 C HIS A 99 9.358 -8.415 7.972 1.00 0.00 C ATOM 1577 O HIS A 99 9.349 -8.542 9.199 1.00 0.00 O ATOM 1578 CB HIS A 99 10.105 -10.327 6.526 1.00 0.00 C ATOM 1579 CG HIS A 99 11.116 -10.671 7.575 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.874 -11.568 8.594 1.00 0.00 N ATOM 1581 CD2 HIS A 99 12.382 -10.228 7.758 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.947 -11.661 9.360 1.00 0.00 C ATOM 1583 NE2 HIS A 99 12.877 -10.859 8.874 1.00 0.00 N ATOM 0 H HIS A 99 8.676 -8.635 5.188 1.00 0.00 H new ATOM 0 HA HIS A 99 8.271 -10.226 7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.754 -11.247 6.058 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.590 -9.738 5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.906 -9.512 7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.046 -12.287 10.235 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.811 -10.729 9.264 1.00 0.00 H new ATOM 1592 N HIS A 100 9.728 -7.294 7.363 1.00 0.00 N ATOM 1593 CA HIS A 100 10.200 -6.137 8.113 1.00 0.00 C ATOM 1594 C HIS A 100 9.058 -5.465 8.863 1.00 0.00 C ATOM 1595 O HIS A 100 9.267 -4.492 9.587 1.00 0.00 O ATOM 1596 CB HIS A 100 10.880 -5.134 7.182 1.00 0.00 C ATOM 1597 CG HIS A 100 12.309 -5.472 6.885 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.856 -6.713 7.134 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.309 -4.720 6.368 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.130 -6.709 6.784 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.429 -5.512 6.315 1.00 0.00 N ATOM 0 H HIS A 100 9.710 -7.162 6.352 1.00 0.00 H new ATOM 0 HA HIS A 100 10.928 -6.489 8.844 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.324 -5.084 6.246 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.835 -4.143 7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.239 -3.689 6.055 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.811 -7.543 6.867 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.344 -5.222 5.969 1.00 0.00 H new ATOM 1610 N LYS A 101 7.849 -5.987 8.685 1.00 0.00 N ATOM 1611 CA LYS A 101 6.679 -5.441 9.359 1.00 0.00 C ATOM 1612 C LYS A 101 6.813 -5.613 10.866 1.00 0.00 C ATOM 1613 O LYS A 101 6.119 -4.955 11.642 1.00 0.00 O ATOM 1614 CB LYS A 101 5.405 -6.130 8.864 1.00 0.00 C ATOM 1615 CG LYS A 101 5.373 -7.624 9.150 1.00 0.00 C ATOM 1616 CD LYS A 101 4.049 -8.248 8.734 1.00 0.00 C ATOM 1617 CE LYS A 101 2.911 -7.800 9.638 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.628 -8.469 9.288 1.00 0.00 N ATOM 0 H LYS A 101 7.655 -6.786 8.081 1.00 0.00 H new ATOM 0 HA LYS A 101 6.612 -4.378 9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.541 -5.660 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.310 -5.972 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.189 -8.114 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.537 -7.795 10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.825 -7.974 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.133 -9.334 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.164 -8.019 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.790 -6.719 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.878 -8.137 9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.373 -8.239 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.735 -9.499 9.386 1.00 0.00 H new ATOM 1632 N ASP A 102 7.715 -6.505 11.274 1.00 0.00 N ATOM 1633 CA ASP A 102 7.944 -6.768 12.691 1.00 0.00 C ATOM 1634 C ASP A 102 8.679 -5.605 13.352 1.00 0.00 C ATOM 1635 O ASP A 102 8.721 -5.502 14.578 1.00 0.00 O ATOM 1636 CB ASP A 102 8.746 -8.059 12.866 1.00 0.00 C ATOM 1637 CG ASP A 102 8.920 -8.440 14.323 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.054 -9.168 14.855 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.922 -8.012 14.933 1.00 0.00 O ATOM 0 H ASP A 102 8.297 -7.056 10.643 1.00 0.00 H new ATOM 0 HA ASP A 102 6.974 -6.880 13.175 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.243 -8.870 12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.727 -7.939 12.405 1.00 0.00 H new ATOM 1644 N GLU A 103 9.254 -4.731 12.531 1.00 0.00 N ATOM 1645 CA GLU A 103 9.991 -3.576 13.036 1.00 0.00 C ATOM 1646 C GLU A 103 9.182 -2.292 12.874 1.00 0.00 C ATOM 1647 O GLU A 103 8.916 -1.588 13.848 1.00 0.00 O ATOM 1648 CB GLU A 103 11.330 -3.443 12.308 1.00 0.00 C ATOM 1649 CG GLU A 103 12.190 -2.294 12.813 1.00 0.00 C ATOM 1650 CD GLU A 103 12.568 -2.445 14.274 1.00 0.00 C ATOM 1651 OE1 GLU A 103 11.787 -1.994 15.138 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.645 -3.012 14.552 1.00 0.00 O ATOM 0 H GLU A 103 9.224 -4.800 11.514 1.00 0.00 H new ATOM 0 HA GLU A 103 10.174 -3.733 14.099 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.885 -4.375 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.142 -3.304 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.097 -2.233 12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.653 -1.356 12.676 1.00 0.00 H new ATOM 1659 N VAL A 104 8.794 -1.993 11.637 1.00 0.00 N ATOM 1660 CA VAL A 104 8.020 -0.791 11.345 1.00 0.00 C ATOM 1661 C VAL A 104 6.643 -0.846 11.998 1.00 0.00 C ATOM 1662 O VAL A 104 6.320 -1.794 12.715 1.00 0.00 O ATOM 1663 CB VAL A 104 7.851 -0.587 9.828 1.00 0.00 C ATOM 1664 CG1 VAL A 104 9.207 -0.471 9.150 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.037 -1.721 9.220 1.00 0.00 C ATOM 0 H VAL A 104 9.003 -2.567 10.821 1.00 0.00 H new ATOM 0 HA VAL A 104 8.578 0.050 11.757 1.00 0.00 H new ATOM 0 HB VAL A 104 7.308 0.344 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.067 -0.327 8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.748 0.380 9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.779 -1.383 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.929 -1.557 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.547 -2.669 9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.051 -1.750 9.683 1.00 0.00 H new ATOM 1675 N ALA A 105 5.833 0.177 11.742 1.00 0.00 N ATOM 1676 CA ALA A 105 4.491 0.248 12.305 1.00 0.00 C ATOM 1677 C ALA A 105 3.517 -0.616 11.513 1.00 0.00 C ATOM 1678 O ALA A 105 3.152 -0.285 10.384 1.00 0.00 O ATOM 1679 CB ALA A 105 4.011 1.691 12.344 1.00 0.00 C ATOM 0 H ALA A 105 6.084 0.968 11.148 1.00 0.00 H new ATOM 0 HA ALA A 105 4.530 -0.137 13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.007 1.729 12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.687 2.283 12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.994 2.096 11.332 1.00 0.00 H new ATOM 1685 N GLY A 106 3.103 -1.728 12.113 1.00 0.00 N ATOM 1686 CA GLY A 106 2.172 -2.626 11.455 1.00 0.00 C ATOM 1687 C GLY A 106 0.875 -1.936 11.079 1.00 0.00 C ATOM 1688 O GLY A 106 0.237 -2.299 10.091 1.00 0.00 O ATOM 0 H GLY A 106 3.396 -2.023 13.044 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.637 -3.034 10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.956 -3.468 12.113 1.00 0.00 H new ATOM 1692 N ASP A 107 0.488 -0.943 11.872 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.742 -0.198 11.623 1.00 0.00 C ATOM 1694 C ASP A 107 -0.652 0.594 10.322 1.00 0.00 C ATOM 1695 O ASP A 107 -1.653 0.778 9.628 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.033 0.749 12.789 1.00 0.00 C ATOM 1697 CG ASP A 107 0.047 1.798 12.968 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -0.041 2.858 12.315 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.981 1.560 13.764 1.00 0.00 O ATOM 0 H ASP A 107 1.008 -0.635 12.693 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.557 -0.916 11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.990 1.243 12.622 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.129 0.170 13.708 1.00 0.00 H new ATOM 1704 N ILE A 108 0.549 1.063 9.997 1.00 0.00 N ATOM 1705 CA ILE A 108 0.759 1.837 8.779 1.00 0.00 C ATOM 1706 C ILE A 108 0.712 0.945 7.543 1.00 0.00 C ATOM 1707 O ILE A 108 -0.005 1.234 6.584 1.00 0.00 O ATOM 1708 CB ILE A 108 2.110 2.583 8.810 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.136 3.604 9.949 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.382 3.261 7.473 1.00 0.00 C ATOM 1711 CD1 ILE A 108 1.088 4.685 9.815 1.00 0.00 C ATOM 0 H ILE A 108 1.389 0.921 10.558 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.049 2.567 8.727 1.00 0.00 H new ATOM 0 HB ILE A 108 2.899 1.853 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.991 3.084 10.896 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.122 4.068 9.988 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.339 3.781 7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.413 2.510 6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.589 3.978 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.165 5.373 10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.245 5.231 8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.097 4.232 9.807 1.00 0.00 H new ATOM 1723 N PHE A 109 1.467 -0.149 7.573 1.00 0.00 N ATOM 1724 CA PHE A 109 1.500 -1.073 6.448 1.00 0.00 C ATOM 1725 C PHE A 109 0.150 -1.756 6.265 1.00 0.00 C ATOM 1726 O PHE A 109 -0.215 -2.126 5.152 1.00 0.00 O ATOM 1727 CB PHE A 109 2.598 -2.125 6.620 1.00 0.00 C ATOM 1728 CG PHE A 109 2.654 -3.106 5.481 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.707 -2.661 4.169 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.639 -4.471 5.720 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.747 -3.555 3.116 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.677 -5.372 4.672 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.731 -4.914 3.369 1.00 0.00 C ATOM 0 H PHE A 109 2.060 -0.415 8.359 1.00 0.00 H new ATOM 0 HA PHE A 109 1.723 -0.488 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.562 -1.625 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.432 -2.667 7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.717 -1.600 3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.597 -4.835 6.736 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.791 -3.193 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.664 -6.433 4.871 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.761 -5.617 2.550 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.585 -1.916 7.364 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.891 -2.567 7.323 1.00 0.00 C ATOM 1745 C ASP A 110 -2.753 -1.991 6.203 1.00 0.00 C ATOM 1746 O ASP A 110 -3.620 -2.677 5.662 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.606 -2.408 8.666 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.927 -3.149 8.709 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.948 -2.566 8.286 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.943 -4.312 9.165 1.00 0.00 O ATOM 0 H ASP A 110 -0.298 -1.604 8.292 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.734 -3.627 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.960 -2.775 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.780 -1.349 8.859 1.00 0.00 H new ATOM 1755 N MET A 111 -2.509 -0.730 5.857 1.00 0.00 N ATOM 1756 CA MET A 111 -3.251 -0.079 4.785 1.00 0.00 C ATOM 1757 C MET A 111 -2.810 -0.639 3.438 1.00 0.00 C ATOM 1758 O MET A 111 -3.630 -1.078 2.629 1.00 0.00 O ATOM 1759 CB MET A 111 -3.026 1.435 4.822 1.00 0.00 C ATOM 1760 CG MET A 111 -3.755 2.186 3.720 1.00 0.00 C ATOM 1761 SD MET A 111 -3.266 3.919 3.617 1.00 0.00 S ATOM 1762 CE MET A 111 -1.524 3.757 3.229 1.00 0.00 C ATOM 0 H MET A 111 -1.805 -0.141 6.303 1.00 0.00 H new ATOM 0 HA MET A 111 -4.314 -0.275 4.924 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.352 1.819 5.789 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.958 1.637 4.743 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.559 1.700 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.829 2.126 3.894 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.263 4.450 2.429 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.931 3.986 4.115 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.316 2.737 2.907 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.500 -0.628 3.215 1.00 0.00 N ATOM 1773 CA LEU A 112 -0.920 -1.132 1.979 1.00 0.00 C ATOM 1774 C LEU A 112 -1.143 -2.636 1.854 1.00 0.00 C ATOM 1775 O LEU A 112 -1.130 -3.187 0.756 1.00 0.00 O ATOM 1776 CB LEU A 112 0.578 -0.818 1.933 1.00 0.00 C ATOM 1777 CG LEU A 112 0.935 0.668 2.045 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.443 0.860 2.031 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.289 1.458 0.917 1.00 0.00 C ATOM 0 H LEU A 112 -0.816 -0.272 3.882 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.413 -0.638 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.071 -1.356 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.986 -1.204 0.999 1.00 0.00 H new ATOM 0 HG LEU A 112 0.550 1.041 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.675 1.922 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.885 0.327 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.851 0.469 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.553 2.511 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.644 1.080 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.794 1.350 0.971 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.357 -3.286 2.993 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.573 -4.728 3.038 1.00 0.00 C ATOM 1793 C LEU A 113 -2.653 -5.158 2.048 1.00 0.00 C ATOM 1794 O LEU A 113 -2.649 -6.292 1.566 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.956 -5.161 4.456 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.955 -6.672 4.696 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.558 -7.244 4.500 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.468 -6.991 6.092 1.00 0.00 C ATOM 0 H LEU A 113 -1.386 -2.832 3.906 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.641 -5.216 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.265 -4.697 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.950 -4.774 4.682 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.622 -7.135 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.577 -8.320 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.224 -7.048 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.129 -6.774 5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.460 -8.070 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.826 -6.515 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.486 -6.617 6.200 1.00 0.00 H new ATOM 1810 N THR A 114 -3.579 -4.249 1.750 1.00 0.00 N ATOM 1811 CA THR A 114 -4.665 -4.536 0.816 1.00 0.00 C ATOM 1812 C THR A 114 -4.142 -4.825 -0.594 1.00 0.00 C ATOM 1813 O THR A 114 -4.928 -4.979 -1.530 1.00 0.00 O ATOM 1814 CB THR A 114 -5.665 -3.367 0.744 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.000 -2.179 0.301 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.306 -3.119 2.102 1.00 0.00 C ATOM 0 H THR A 114 -3.599 -3.308 2.142 1.00 0.00 H new ATOM 0 HA THR A 114 -5.170 -5.424 1.196 1.00 0.00 H new ATOM 0 HB THR A 114 -6.448 -3.631 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.524 -1.770 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.008 -2.289 2.027 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.837 -4.015 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.533 -2.875 2.830 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.821 -4.899 -0.744 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.215 -5.174 -2.044 1.00 0.00 C ATOM 1826 C PHE A 115 -2.586 -6.571 -2.533 1.00 0.00 C ATOM 1827 O PHE A 115 -2.752 -6.792 -3.734 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.687 -5.046 -1.971 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.174 -3.635 -2.111 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.747 -2.757 -3.020 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.889 -3.191 -1.338 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.273 -1.465 -3.151 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.367 -1.901 -1.468 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.785 -1.037 -2.375 1.00 0.00 C ATOM 0 H PHE A 115 -2.152 -4.773 0.016 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.601 -4.438 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.345 -5.451 -1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.245 -5.660 -2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.573 -3.087 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.348 -3.861 -0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.730 -0.791 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.196 -1.568 -0.860 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.157 -0.028 -2.477 1.00 0.00 H new ATOM 1844 N THR A 116 -2.716 -7.510 -1.600 1.00 0.00 N ATOM 1845 CA THR A 116 -3.063 -8.883 -1.948 1.00 0.00 C ATOM 1846 C THR A 116 -3.978 -9.514 -0.902 1.00 0.00 C ATOM 1847 O THR A 116 -4.719 -10.450 -1.201 1.00 0.00 O ATOM 1848 CB THR A 116 -1.803 -9.757 -2.099 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.178 -11.123 -2.314 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.922 -9.654 -0.863 1.00 0.00 C ATOM 0 H THR A 116 -2.587 -7.346 -0.602 1.00 0.00 H new ATOM 0 HA THR A 116 -3.590 -8.838 -2.901 1.00 0.00 H new ATOM 0 HB THR A 116 -1.237 -9.397 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.372 -11.672 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.039 -10.279 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.615 -8.618 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.480 -9.991 0.011 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.923 -8.999 0.322 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.749 -9.523 1.405 1.00 0.00 C ATOM 1860 C ASP A 117 -6.220 -9.191 1.178 1.00 0.00 C ATOM 1861 O ASP A 117 -6.717 -8.164 1.643 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.283 -8.964 2.750 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.900 -9.456 3.125 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.922 -9.020 2.484 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.795 -10.276 4.062 1.00 0.00 O ATOM 0 H ASP A 117 -3.318 -8.222 0.589 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.641 -10.608 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.280 -7.875 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.992 -9.251 3.526 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.911 -10.072 0.458 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.326 -9.881 0.156 1.00 0.00 C ATOM 1872 C PHE A 118 -9.146 -9.778 1.436 1.00 0.00 C ATOM 1873 O PHE A 118 -10.146 -9.061 1.487 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.840 -11.034 -0.710 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.258 -10.855 -1.175 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.535 -10.136 -2.328 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.311 -11.405 -0.464 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.837 -9.970 -2.761 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.614 -11.242 -0.892 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.877 -10.523 -2.042 1.00 0.00 C ATOM 0 H PHE A 118 -6.512 -10.928 0.072 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.435 -8.947 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.192 -11.140 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.767 -11.962 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.724 -9.701 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.111 -11.968 0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.040 -9.408 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.426 -11.676 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.895 -10.394 -2.378 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.720 -10.498 2.468 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.416 -10.483 3.749 1.00 0.00 C ATOM 1892 C LEU A 119 -9.368 -9.093 4.376 1.00 0.00 C ATOM 1893 O LEU A 119 -10.341 -8.640 4.978 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.806 -11.513 4.706 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.172 -12.972 4.417 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -8.528 -13.444 3.122 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.760 -13.866 5.576 1.00 0.00 C ATOM 0 H LEU A 119 -7.896 -11.099 2.442 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.458 -10.746 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.721 -11.415 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.119 -11.271 5.722 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.254 -13.035 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.802 -14.483 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.876 -12.824 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.444 -13.364 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.028 -14.899 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.683 -13.795 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.274 -13.546 6.483 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.230 -8.419 4.228 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.058 -7.079 4.778 1.00 0.00 C ATOM 1911 C ALA A 120 -8.781 -6.041 3.928 1.00 0.00 C ATOM 1912 O ALA A 120 -9.232 -5.013 4.434 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.579 -6.739 4.887 1.00 0.00 C ATOM 0 H ALA A 120 -7.415 -8.779 3.732 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.497 -7.063 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.466 -5.736 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.088 -7.458 5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.123 -6.779 3.898 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.887 -6.317 2.632 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.552 -5.413 1.701 1.00 0.00 C ATOM 1921 C PHE A 121 -11.036 -5.284 2.039 1.00 0.00 C ATOM 1922 O PHE A 121 -11.549 -4.178 2.232 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.379 -5.927 0.267 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.613 -4.889 -0.799 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.040 -3.630 -0.702 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.400 -5.179 -1.902 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.248 -2.681 -1.685 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.610 -4.234 -2.890 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.035 -2.983 -2.781 1.00 0.00 C ATOM 0 H PHE A 121 -8.518 -7.165 2.201 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.096 -4.427 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.370 -6.323 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.067 -6.757 0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.424 -3.388 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.855 -6.154 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.796 -1.704 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.223 -4.474 -3.746 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.200 -2.243 -3.550 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.716 -6.422 2.120 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.139 -6.443 2.440 1.00 0.00 C ATOM 1941 C LYS A 122 -13.379 -5.943 3.860 1.00 0.00 C ATOM 1942 O LYS A 122 -14.243 -5.098 4.092 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.697 -7.859 2.278 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.179 -7.972 2.591 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.660 -9.411 2.494 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.138 -9.529 2.827 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.617 -10.937 2.739 1.00 0.00 N ATOM 0 H LYS A 122 -11.305 -7.343 1.968 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.656 -5.778 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.525 -8.193 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.144 -8.534 2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.370 -7.590 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.747 -7.350 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.482 -9.788 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.082 -10.035 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.315 -9.148 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.715 -8.906 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.630 -10.975 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.472 -11.293 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.084 -11.527 3.409 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.606 -6.469 4.806 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.731 -6.076 6.206 1.00 0.00 C ATOM 1963 C GLU A 123 -12.562 -4.568 6.356 1.00 0.00 C ATOM 1964 O GLU A 123 -13.169 -3.947 7.228 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.691 -6.813 7.057 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.028 -6.864 8.541 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.842 -5.529 9.238 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -10.685 -5.078 9.358 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -12.856 -4.940 9.670 1.00 0.00 O ATOM 0 H GLU A 123 -11.886 -7.169 4.628 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.727 -6.348 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.587 -7.832 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.723 -6.327 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -13.061 -7.190 8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.399 -7.611 9.025 1.00 0.00 H new ATOM 1976 N MET A 124 -11.735 -3.982 5.494 1.00 0.00 N ATOM 1977 CA MET A 124 -11.487 -2.546 5.528 1.00 0.00 C ATOM 1978 C MET A 124 -12.749 -1.769 5.161 1.00 0.00 C ATOM 1979 O MET A 124 -13.119 -0.812 5.842 1.00 0.00 O ATOM 1980 CB MET A 124 -10.351 -2.176 4.573 1.00 0.00 C ATOM 1981 CG MET A 124 -9.969 -0.704 4.618 1.00 0.00 C ATOM 1982 SD MET A 124 -8.564 -0.315 3.555 1.00 0.00 S ATOM 1983 CE MET A 124 -9.228 -0.738 1.946 1.00 0.00 C ATOM 0 H MET A 124 -11.226 -4.481 4.764 1.00 0.00 H new ATOM 0 HA MET A 124 -11.196 -2.278 6.544 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.475 -2.777 4.815 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.644 -2.435 3.556 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.826 -0.101 4.316 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.730 -0.426 5.645 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.595 -0.312 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.257 -1.822 1.838 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.237 -0.337 1.852 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.405 -2.186 4.081 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.625 -1.522 3.632 1.00 0.00 C ATOM 1995 C PHE A 125 -15.741 -1.660 4.662 1.00 0.00 C ATOM 1996 O PHE A 125 -16.432 -0.689 4.972 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.082 -2.087 2.286 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.147 -1.772 1.155 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.760 -0.466 0.903 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.653 -2.781 0.346 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.898 -0.172 -0.136 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.792 -2.494 -0.694 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.413 -1.187 -0.936 1.00 0.00 C ATOM 0 H PHE A 125 -13.114 -2.975 3.504 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.399 -0.462 3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.185 -3.169 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.070 -1.691 2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.137 0.332 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.945 -3.804 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.604 0.850 -0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.415 -3.290 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.739 -0.960 -1.749 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.918 -2.868 5.189 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.953 -3.123 6.187 1.00 0.00 C ATOM 2015 C LEU A 126 -16.726 -2.279 7.437 1.00 0.00 C ATOM 2016 O LEU A 126 -17.679 -1.839 8.080 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.988 -4.608 6.557 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.843 -5.489 5.642 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.318 -5.455 4.214 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.879 -6.918 6.162 1.00 0.00 C ATOM 0 H LEU A 126 -15.359 -3.685 4.942 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.913 -2.845 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.967 -4.991 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.360 -4.703 7.577 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.859 -5.094 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.941 -6.088 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.345 -4.431 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.292 -5.821 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.491 -7.531 5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.866 -7.319 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.306 -6.930 7.165 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.461 -2.057 7.775 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.112 -1.262 8.946 1.00 0.00 C ATOM 2034 C ASP A 127 -15.435 0.211 8.714 1.00 0.00 C ATOM 2035 O ASP A 127 -15.942 0.893 9.604 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.629 -1.426 9.282 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.203 -0.562 10.452 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.447 -0.966 11.609 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.624 0.518 10.213 1.00 0.00 O ATOM 0 H ASP A 127 -14.660 -2.416 7.255 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.705 -1.620 9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.425 -2.472 9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.031 -1.170 8.408 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.136 0.693 7.511 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.397 2.084 7.157 1.00 0.00 C ATOM 2046 C TYR A 128 -16.897 2.347 7.079 1.00 0.00 C ATOM 2047 O TYR A 128 -17.369 3.423 7.448 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.733 2.421 5.818 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.941 3.851 5.375 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.096 4.863 5.812 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.982 4.189 4.519 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.282 6.172 5.408 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.174 5.495 4.111 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.322 6.482 4.558 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.509 7.783 4.152 1.00 0.00 O ATOM 0 H TYR A 128 -14.713 0.141 6.765 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.975 2.722 7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.663 2.227 5.895 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.124 1.753 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.280 4.623 6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.652 3.418 4.167 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.616 6.948 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.988 5.741 3.445 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.284 7.831 3.554 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.640 1.356 6.597 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.087 1.474 6.468 1.00 0.00 C ATOM 2067 C ARG A 129 -19.751 1.489 7.840 1.00 0.00 C ATOM 2068 O ARG A 129 -20.670 2.269 8.089 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.639 0.321 5.629 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.135 0.407 5.378 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.626 -0.760 4.537 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.058 -0.675 4.259 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.696 -1.488 3.422 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.035 -2.444 2.784 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -24.999 -1.344 3.221 1.00 0.00 N ATOM 0 H ARG A 129 -17.262 0.460 6.289 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.311 2.415 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.120 0.300 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.418 -0.620 6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.665 0.419 6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.367 1.344 4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.076 -0.785 3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.413 -1.695 5.056 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.598 0.048 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.033 -2.558 2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.529 -3.065 2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.512 -0.609 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.488 -1.968 2.579 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.278 0.619 8.728 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.821 0.532 10.077 1.00 0.00 C ATOM 2091 C ALA A 130 -19.557 1.818 10.852 1.00 0.00 C ATOM 2092 O ALA A 130 -20.333 2.197 11.730 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.225 -0.660 10.809 1.00 0.00 C ATOM 0 H ALA A 130 -18.519 -0.035 8.536 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.900 0.395 10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.639 -0.713 11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.465 -1.576 10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.142 -0.547 10.868 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.455 2.486 10.520 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.084 3.728 11.179 1.00 0.00 C ATOM 2101 C GLU A 131 -19.068 4.842 10.832 1.00 0.00 C ATOM 2102 O GLU A 131 -19.211 5.812 11.577 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.669 4.130 10.766 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.128 5.331 11.519 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.009 5.081 13.010 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.955 4.572 13.444 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.971 5.395 13.743 1.00 0.00 O ATOM 0 H GLU A 131 -17.804 2.184 9.796 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.114 3.571 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.001 3.283 10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.661 4.349 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.149 5.594 11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.782 6.186 11.349 1.00 0.00 H new