USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 65 CYS SG : rot -120:sc= 1.4 USER MOD Set 1.2: A 70 THR OG1 : rot 176:sc= -0.829 USER MOD Set 2.1: A 61 THR OG1 : rot 101:sc= 1.08 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -2.06 K(o=-0.98,f=-14!) USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0.0523 USER MOD Set 3.2: A 60 SER OG : rot 90:sc= -0.736 USER MOD Set 4.1: A 21 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 4.2: A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -110:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 35 ASN : amide:sc= 0.0133 K(o=0.013,f=-0.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -2.42! (180deg=-3.72!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0745 X(o=-0.074,f=-0.074) USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= -2.84! (180deg=-3.64!) USER MOD Single : A 92 CYS SG : rot 90:sc= -0.084 USER MOD Single : A 93 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-2.5!) USER MOD Single : A 95 MET CE :methyl -119:sc= -0.6 (180deg=-1.99!) USER MOD Single : A 101 SER OG : rot 173:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -130:sc= -0.089 (180deg=-1.88) USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.439 18.461 -0.155 1.00 0.00 N ATOM 228 CA GLU A 18 6.533 17.541 0.132 1.00 0.00 C ATOM 229 C GLU A 18 6.053 16.093 0.085 1.00 0.00 C ATOM 230 O GLU A 18 6.797 15.193 -0.305 1.00 0.00 O ATOM 231 CB GLU A 18 7.138 17.845 1.504 1.00 0.00 C ATOM 232 CG GLU A 18 8.259 16.898 1.899 1.00 0.00 C ATOM 233 CD GLU A 18 9.534 17.146 1.117 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.584 16.766 -0.072 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.482 17.719 1.693 1.00 0.00 O ATOM 0 HA GLU A 18 7.298 17.677 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.519 18.866 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.351 17.797 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.463 17.007 2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.934 15.870 1.740 1.00 0.00 H new ATOM 242 N LEU A 19 4.805 15.877 0.487 1.00 0.00 N ATOM 243 CA LEU A 19 4.224 14.539 0.491 1.00 0.00 C ATOM 244 C LEU A 19 3.758 14.143 -0.906 1.00 0.00 C ATOM 245 O LEU A 19 4.033 13.038 -1.373 1.00 0.00 O ATOM 246 CB LEU A 19 3.051 14.474 1.471 1.00 0.00 C ATOM 247 CG LEU A 19 3.416 14.306 2.946 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.162 12.999 3.165 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.250 15.485 3.427 1.00 0.00 C ATOM 0 H LEU A 19 4.177 16.611 0.814 1.00 0.00 H new ATOM 0 HA LEU A 19 4.994 13.836 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.464 15.386 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.407 13.644 1.180 1.00 0.00 H new ATOM 0 HG LEU A 19 2.495 14.277 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.414 12.896 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.531 12.164 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.077 12.998 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.501 15.348 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.167 15.545 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.681 16.407 3.306 1.00 0.00 H new ATOM 261 N GLY A 20 3.052 15.053 -1.569 1.00 0.00 N ATOM 262 CA GLY A 20 2.561 14.781 -2.907 1.00 0.00 C ATOM 263 C GLY A 20 3.679 14.479 -3.885 1.00 0.00 C ATOM 264 O GLY A 20 3.430 14.051 -5.012 1.00 0.00 O ATOM 0 H GLY A 20 2.811 15.974 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.874 13.936 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.993 15.640 -3.264 1.00 0.00 H new ATOM 268 N LYS A 21 4.916 14.703 -3.455 1.00 0.00 N ATOM 269 CA LYS A 21 6.078 14.453 -4.300 1.00 0.00 C ATOM 270 C LYS A 21 6.685 13.087 -3.999 1.00 0.00 C ATOM 271 O LYS A 21 7.699 12.706 -4.584 1.00 0.00 O ATOM 272 CB LYS A 21 7.128 15.547 -4.094 1.00 0.00 C ATOM 273 CG LYS A 21 6.684 16.916 -4.577 1.00 0.00 C ATOM 274 CD LYS A 21 6.628 16.982 -6.094 1.00 0.00 C ATOM 275 CE LYS A 21 5.594 17.991 -6.570 1.00 0.00 C ATOM 276 NZ LYS A 21 4.226 17.403 -6.618 1.00 0.00 N ATOM 0 H LYS A 21 5.140 15.058 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 21 5.750 14.464 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.374 15.607 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.041 15.265 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.701 17.147 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.372 17.675 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.609 17.253 -6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.387 15.997 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.595 18.854 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.869 18.353 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.659 17.901 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.290 16.395 -6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.773 17.501 -5.687 1.00 0.00 H new ATOM 290 N ILE A 22 6.058 12.354 -3.085 1.00 0.00 N ATOM 291 CA ILE A 22 6.536 11.029 -2.710 1.00 0.00 C ATOM 292 C ILE A 22 5.849 9.944 -3.532 1.00 0.00 C ATOM 293 O ILE A 22 6.505 9.170 -4.232 1.00 0.00 O ATOM 294 CB ILE A 22 6.302 10.749 -1.214 1.00 0.00 C ATOM 295 CG1 ILE A 22 6.866 11.891 -0.365 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.936 9.424 -0.817 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.602 11.730 1.116 1.00 0.00 C ATOM 0 H ILE A 22 5.218 12.655 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 22 7.607 11.011 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 22 5.229 10.684 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.942 11.958 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.433 12.832 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.762 9.241 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.492 8.619 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.009 9.462 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.030 12.575 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.527 11.693 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.059 10.805 1.469 1.00 0.00 H new ATOM 309 N LEU A 23 4.524 9.892 -3.444 1.00 0.00 N ATOM 310 CA LEU A 23 3.747 8.902 -4.181 1.00 0.00 C ATOM 311 C LEU A 23 3.044 9.541 -5.375 1.00 0.00 C ATOM 312 O LEU A 23 1.886 9.239 -5.659 1.00 0.00 O ATOM 313 CB LEU A 23 2.717 8.245 -3.261 1.00 0.00 C ATOM 314 CG LEU A 23 3.266 7.241 -2.247 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.130 6.564 -1.496 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.140 6.206 -2.942 1.00 0.00 C ATOM 0 H LEU A 23 3.966 10.524 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 23 4.433 8.140 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.192 9.030 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.977 7.738 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 23 3.879 7.781 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.541 5.853 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.545 7.316 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.489 6.037 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.522 5.499 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.549 5.671 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.975 6.706 -3.433 1.00 0.00 H new ATOM 328 N GLN A 24 3.754 10.423 -6.071 1.00 0.00 N ATOM 329 CA GLN A 24 3.199 11.103 -7.235 1.00 0.00 C ATOM 330 C GLN A 24 2.969 10.121 -8.380 1.00 0.00 C ATOM 331 O GLN A 24 3.916 9.658 -9.013 1.00 0.00 O ATOM 332 CB GLN A 24 4.133 12.225 -7.690 1.00 0.00 C ATOM 333 CG GLN A 24 3.570 13.061 -8.829 1.00 0.00 C ATOM 334 CD GLN A 24 4.653 13.673 -9.694 1.00 0.00 C ATOM 335 OE1 GLN A 24 5.013 13.128 -10.738 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.180 14.814 -9.264 1.00 0.00 N ATOM 0 H GLN A 24 4.715 10.683 -5.849 1.00 0.00 H new ATOM 0 HA GLN A 24 2.239 11.533 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.345 12.877 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.083 11.791 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.925 12.437 -9.448 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.946 13.855 -8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.852 15.231 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.913 15.273 -9.805 1.00 0.00 H new ATOM 345 N GLY A 25 1.703 9.809 -8.639 1.00 0.00 N ATOM 346 CA GLY A 25 1.371 8.884 -9.707 1.00 0.00 C ATOM 347 C GLY A 25 1.180 7.466 -9.208 1.00 0.00 C ATOM 348 O GLY A 25 1.380 6.505 -9.952 1.00 0.00 O ATOM 0 H GLY A 25 0.902 10.180 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.459 9.218 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.163 8.899 -10.455 1.00 0.00 H new ATOM 352 N VAL A 26 0.794 7.332 -7.943 1.00 0.00 N ATOM 353 CA VAL A 26 0.576 6.021 -7.344 1.00 0.00 C ATOM 354 C VAL A 26 -0.860 5.871 -6.857 1.00 0.00 C ATOM 355 O VAL A 26 -1.414 6.776 -6.233 1.00 0.00 O ATOM 356 CB VAL A 26 1.535 5.777 -6.164 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.275 4.416 -5.537 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.982 5.896 -6.619 1.00 0.00 C ATOM 0 H VAL A 26 0.626 8.116 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 26 0.772 5.282 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 26 1.353 6.540 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.962 4.261 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.249 4.373 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.428 3.636 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.645 5.721 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.181 5.157 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.157 6.896 -7.016 1.00 0.00 H new ATOM 368 N VAL A 27 -1.460 4.720 -7.146 1.00 0.00 N ATOM 369 CA VAL A 27 -2.833 4.449 -6.736 1.00 0.00 C ATOM 370 C VAL A 27 -2.887 3.331 -5.701 1.00 0.00 C ATOM 371 O VAL A 27 -2.581 2.177 -6.002 1.00 0.00 O ATOM 372 CB VAL A 27 -3.712 4.063 -7.940 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.144 3.805 -7.495 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.664 5.149 -9.004 1.00 0.00 C ATOM 0 H VAL A 27 -1.017 3.960 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.219 5.368 -6.294 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.320 3.143 -8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.750 3.534 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.159 2.990 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.550 4.706 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.291 4.860 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.030 6.086 -8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.637 5.281 -9.344 1.00 0.00 H new ATOM 384 N VAL A 28 -3.279 3.680 -4.480 1.00 0.00 N ATOM 385 CA VAL A 28 -3.376 2.705 -3.400 1.00 0.00 C ATOM 386 C VAL A 28 -4.825 2.306 -3.148 1.00 0.00 C ATOM 387 O VAL A 28 -5.745 3.091 -3.376 1.00 0.00 O ATOM 388 CB VAL A 28 -2.770 3.252 -2.094 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.251 3.245 -2.165 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.292 4.653 -1.812 1.00 0.00 C ATOM 0 H VAL A 28 -3.535 4.631 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.811 1.828 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.074 2.603 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.841 3.635 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.899 2.225 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.923 3.870 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.854 5.025 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.019 5.315 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.377 4.624 -1.714 1.00 0.00 H new ATOM 400 N VAL A 29 -5.022 1.080 -2.674 1.00 0.00 N ATOM 401 CA VAL A 29 -6.360 0.576 -2.388 1.00 0.00 C ATOM 402 C VAL A 29 -6.454 0.045 -0.962 1.00 0.00 C ATOM 403 O VAL A 29 -5.666 -0.808 -0.552 1.00 0.00 O ATOM 404 CB VAL A 29 -6.760 -0.542 -3.368 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.026 -1.240 -2.895 1.00 0.00 C ATOM 406 CG2 VAL A 29 -6.943 0.019 -4.770 1.00 0.00 C ATOM 0 H VAL A 29 -4.272 0.417 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.046 1.415 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.957 -1.279 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.293 -2.027 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.855 -1.677 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.839 -0.517 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.226 -0.785 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.726 0.777 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.009 0.468 -5.107 1.00 0.00 H new ATOM 416 N LEU A 30 -7.424 0.554 -0.210 1.00 0.00 N ATOM 417 CA LEU A 30 -7.622 0.131 1.172 1.00 0.00 C ATOM 418 C LEU A 30 -8.528 -1.095 1.241 1.00 0.00 C ATOM 419 O LEU A 30 -9.650 -1.079 0.735 1.00 0.00 O ATOM 420 CB LEU A 30 -8.225 1.271 1.994 1.00 0.00 C ATOM 421 CG LEU A 30 -7.388 2.548 2.086 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.143 3.628 2.844 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.050 2.261 2.752 1.00 0.00 C ATOM 0 H LEU A 30 -8.085 1.260 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.650 -0.134 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.195 1.526 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.407 0.906 3.005 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.198 2.909 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.532 4.529 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.075 3.853 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.365 3.278 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.467 3.180 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.219 1.876 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.504 1.521 2.167 1.00 0.00 H new ATOM 435 N SER A 31 -8.034 -2.155 1.873 1.00 0.00 N ATOM 436 CA SER A 31 -8.798 -3.389 2.007 1.00 0.00 C ATOM 437 C SER A 31 -8.503 -4.068 3.341 1.00 0.00 C ATOM 438 O SER A 31 -7.380 -4.019 3.841 1.00 0.00 O ATOM 439 CB SER A 31 -8.474 -4.342 0.855 1.00 0.00 C ATOM 440 OG SER A 31 -9.091 -5.604 1.047 1.00 0.00 O ATOM 0 H SER A 31 -7.108 -2.184 2.300 1.00 0.00 H new ATOM 0 HA SER A 31 -9.858 -3.137 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.812 -3.908 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.394 -4.470 0.777 1.00 0.00 H new ATOM 0 HG SER A 31 -8.406 -6.276 1.246 1.00 0.00 H new ATOM 446 N GLY A 32 -9.522 -4.702 3.913 1.00 0.00 N ATOM 447 CA GLY A 32 -9.354 -5.382 5.184 1.00 0.00 C ATOM 448 C GLY A 32 -8.796 -4.471 6.260 1.00 0.00 C ATOM 449 O GLY A 32 -7.788 -4.789 6.891 1.00 0.00 O ATOM 0 H GLY A 32 -10.461 -4.757 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.316 -5.778 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.687 -6.234 5.051 1.00 0.00 H new ATOM 453 N PHE A 33 -9.451 -3.334 6.468 1.00 0.00 N ATOM 454 CA PHE A 33 -9.013 -2.372 7.473 1.00 0.00 C ATOM 455 C PHE A 33 -10.158 -2.009 8.414 1.00 0.00 C ATOM 456 O PHE A 33 -11.320 -2.304 8.136 1.00 0.00 O ATOM 457 CB PHE A 33 -8.472 -1.110 6.799 1.00 0.00 C ATOM 458 CG PHE A 33 -7.124 -1.300 6.163 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.029 -1.668 6.927 1.00 0.00 C ATOM 460 CD2 PHE A 33 -6.954 -1.111 4.801 1.00 0.00 C ATOM 461 CE1 PHE A 33 -4.788 -1.844 6.345 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.715 -1.286 4.213 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.631 -1.652 4.986 1.00 0.00 C ATOM 0 H PHE A 33 -10.287 -3.056 5.954 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.217 -2.833 8.059 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.181 -0.782 6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.406 -0.312 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.146 -1.819 7.990 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.798 -0.824 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.942 -2.131 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.595 -1.137 3.150 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.662 -1.788 4.529 1.00 0.00 H new ATOM 473 N GLN A 34 -9.819 -1.368 9.528 1.00 0.00 N ATOM 474 CA GLN A 34 -10.818 -0.966 10.511 1.00 0.00 C ATOM 475 C GLN A 34 -10.997 0.549 10.518 1.00 0.00 C ATOM 476 O GLN A 34 -10.335 1.264 9.768 1.00 0.00 O ATOM 477 CB GLN A 34 -10.417 -1.450 11.905 1.00 0.00 C ATOM 478 CG GLN A 34 -10.703 -2.924 12.144 1.00 0.00 C ATOM 479 CD GLN A 34 -10.112 -3.430 13.444 1.00 0.00 C ATOM 480 OE1 GLN A 34 -9.953 -2.675 14.403 1.00 0.00 O ATOM 481 NE2 GLN A 34 -9.783 -4.716 13.484 1.00 0.00 N ATOM 0 H GLN A 34 -8.861 -1.116 9.772 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.767 -1.424 10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.353 -1.267 12.052 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.948 -0.860 12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.781 -3.084 12.153 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.301 -3.507 11.315 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.932 -5.306 12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.381 -5.113 14.333 1.00 0.00 H new ATOM 490 N ASN A 35 -11.897 1.030 11.369 1.00 0.00 N ATOM 491 CA ASN A 35 -12.163 2.460 11.472 1.00 0.00 C ATOM 492 C ASN A 35 -12.196 2.903 12.932 1.00 0.00 C ATOM 493 O ASN A 35 -12.365 2.098 13.848 1.00 0.00 O ATOM 494 CB ASN A 35 -13.491 2.803 10.794 1.00 0.00 C ATOM 495 CG ASN A 35 -14.470 1.646 10.822 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.704 1.041 11.869 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.049 1.332 9.669 1.00 0.00 N ATOM 0 H ASN A 35 -12.454 0.451 11.997 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.357 2.992 10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.937 3.665 11.290 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.304 3.092 9.760 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.717 0.563 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.826 1.860 8.826 1.00 0.00 H new ATOM 504 N PRO A 36 -12.031 4.215 13.156 1.00 0.00 N ATOM 505 CA PRO A 36 -11.828 5.183 12.074 1.00 0.00 C ATOM 506 C PRO A 36 -10.467 5.027 11.403 1.00 0.00 C ATOM 507 O PRO A 36 -10.152 5.732 10.444 1.00 0.00 O ATOM 508 CB PRO A 36 -11.921 6.535 12.786 1.00 0.00 C ATOM 509 CG PRO A 36 -11.539 6.248 14.197 1.00 0.00 C ATOM 510 CD PRO A 36 -12.029 4.855 14.482 1.00 0.00 C ATOM 0 HA PRO A 36 -12.556 5.056 11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.250 7.267 12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.929 6.946 12.725 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.460 6.317 14.331 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.992 6.968 14.878 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.373 4.333 15.179 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.024 4.862 14.926 1.00 0.00 H new ATOM 518 N PHE A 37 -9.665 4.099 11.913 1.00 0.00 N ATOM 519 CA PHE A 37 -8.337 3.850 11.363 1.00 0.00 C ATOM 520 C PHE A 37 -8.321 4.081 9.855 1.00 0.00 C ATOM 521 O PHE A 37 -7.423 4.737 9.327 1.00 0.00 O ATOM 522 CB PHE A 37 -7.892 2.420 11.676 1.00 0.00 C ATOM 523 CG PHE A 37 -6.453 2.153 11.341 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.450 2.971 11.837 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.102 1.085 10.531 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.124 2.728 11.529 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.778 0.837 10.221 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.788 1.659 10.722 1.00 0.00 C ATOM 0 H PHE A 37 -9.911 3.507 12.706 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.642 4.549 11.827 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.053 2.222 12.736 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.521 1.723 11.122 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.707 3.807 12.471 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.872 0.438 10.137 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.352 3.374 11.919 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.518 0.002 9.588 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.753 1.466 10.483 1.00 0.00 H new ATOM 538 N ARG A 38 -9.321 3.538 9.168 1.00 0.00 N ATOM 539 CA ARG A 38 -9.421 3.683 7.721 1.00 0.00 C ATOM 540 C ARG A 38 -9.077 5.106 7.292 1.00 0.00 C ATOM 541 O ARG A 38 -8.175 5.321 6.483 1.00 0.00 O ATOM 542 CB ARG A 38 -10.830 3.322 7.248 1.00 0.00 C ATOM 543 CG ARG A 38 -11.189 3.916 5.895 1.00 0.00 C ATOM 544 CD ARG A 38 -12.602 3.540 5.479 1.00 0.00 C ATOM 545 NE ARG A 38 -12.651 2.236 4.823 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.609 1.876 3.975 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.591 2.717 3.682 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.585 0.672 3.418 1.00 0.00 N ATOM 0 H ARG A 38 -10.073 2.994 9.590 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.705 3.001 7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.919 2.237 7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.552 3.665 7.989 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.098 5.001 5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.482 3.565 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.247 3.528 6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.996 4.300 4.804 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.910 1.565 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.613 3.644 4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.325 2.437 3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.831 0.022 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.321 0.396 2.767 1.00 0.00 H new ATOM 562 N SER A 39 -9.803 6.076 7.841 1.00 0.00 N ATOM 563 CA SER A 39 -9.578 7.478 7.512 1.00 0.00 C ATOM 564 C SER A 39 -8.116 7.859 7.728 1.00 0.00 C ATOM 565 O SER A 39 -7.456 8.367 6.822 1.00 0.00 O ATOM 566 CB SER A 39 -10.481 8.374 8.361 1.00 0.00 C ATOM 567 OG SER A 39 -10.315 9.739 8.017 1.00 0.00 O ATOM 0 H SER A 39 -10.551 5.916 8.515 1.00 0.00 H new ATOM 0 HA SER A 39 -9.821 7.622 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.522 8.084 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.251 8.231 9.417 1.00 0.00 H new ATOM 0 HG SER A 39 -10.904 10.290 8.573 1.00 0.00 H new ATOM 573 N GLU A 40 -7.618 7.610 8.935 1.00 0.00 N ATOM 574 CA GLU A 40 -6.235 7.927 9.270 1.00 0.00 C ATOM 575 C GLU A 40 -5.284 7.430 8.186 1.00 0.00 C ATOM 576 O GLU A 40 -4.408 8.164 7.728 1.00 0.00 O ATOM 577 CB GLU A 40 -5.859 7.308 10.618 1.00 0.00 C ATOM 578 CG GLU A 40 -4.404 7.520 11.000 1.00 0.00 C ATOM 579 CD GLU A 40 -4.189 8.795 11.792 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.052 9.695 11.713 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.159 8.894 12.490 1.00 0.00 O ATOM 0 H GLU A 40 -8.151 7.190 9.696 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.144 9.011 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.495 7.734 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.066 6.238 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.059 6.669 11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.796 7.551 10.096 1.00 0.00 H new ATOM 588 N LEU A 41 -5.463 6.177 7.780 1.00 0.00 N ATOM 589 CA LEU A 41 -4.621 5.580 6.749 1.00 0.00 C ATOM 590 C LEU A 41 -4.826 6.275 5.408 1.00 0.00 C ATOM 591 O LEU A 41 -3.870 6.516 4.670 1.00 0.00 O ATOM 592 CB LEU A 41 -4.927 4.087 6.615 1.00 0.00 C ATOM 593 CG LEU A 41 -3.997 3.291 5.699 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.606 3.194 6.305 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.566 1.903 5.438 1.00 0.00 C ATOM 0 H LEU A 41 -6.183 5.556 8.149 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.580 5.706 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.896 3.640 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.947 3.977 6.248 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.920 3.815 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.958 2.624 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.197 4.195 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.664 2.693 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.891 1.350 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.673 1.370 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.541 1.994 4.960 1.00 0.00 H new ATOM 607 N ARG A 42 -6.078 6.598 5.099 1.00 0.00 N ATOM 608 CA ARG A 42 -6.408 7.267 3.847 1.00 0.00 C ATOM 609 C ARG A 42 -5.705 8.617 3.750 1.00 0.00 C ATOM 610 O ARG A 42 -4.933 8.861 2.822 1.00 0.00 O ATOM 611 CB ARG A 42 -7.921 7.459 3.730 1.00 0.00 C ATOM 612 CG ARG A 42 -8.356 8.081 2.413 1.00 0.00 C ATOM 613 CD ARG A 42 -9.809 8.529 2.462 1.00 0.00 C ATOM 614 NE ARG A 42 -9.943 9.900 2.945 1.00 0.00 N ATOM 615 CZ ARG A 42 -11.049 10.377 3.507 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.110 9.596 3.657 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.094 11.637 3.921 1.00 0.00 N ATOM 0 H ARG A 42 -6.880 6.407 5.699 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.064 6.637 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.411 6.492 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.263 8.090 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.718 8.935 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.224 7.359 1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.246 8.451 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.373 7.859 3.111 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.144 10.526 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.079 8.627 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.958 9.964 4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.279 12.240 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.943 12.002 4.352 1.00 0.00 H new ATOM 631 N ASP A 43 -5.977 9.490 4.713 1.00 0.00 N ATOM 632 CA ASP A 43 -5.369 10.816 4.737 1.00 0.00 C ATOM 633 C ASP A 43 -3.891 10.743 4.370 1.00 0.00 C ATOM 634 O ASP A 43 -3.436 11.414 3.444 1.00 0.00 O ATOM 635 CB ASP A 43 -5.534 11.451 6.119 1.00 0.00 C ATOM 636 CG ASP A 43 -5.550 12.966 6.062 1.00 0.00 C ATOM 637 OD1 ASP A 43 -4.688 13.543 5.367 1.00 0.00 O ATOM 638 OD2 ASP A 43 -6.425 13.574 6.713 1.00 0.00 O ATOM 0 H ASP A 43 -6.614 9.304 5.487 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.878 11.435 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.461 11.097 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.720 11.123 6.766 1.00 0.00 H new ATOM 643 N LYS A 44 -3.144 9.925 5.104 1.00 0.00 N ATOM 644 CA LYS A 44 -1.716 9.764 4.857 1.00 0.00 C ATOM 645 C LYS A 44 -1.451 9.437 3.391 1.00 0.00 C ATOM 646 O LYS A 44 -0.582 10.037 2.759 1.00 0.00 O ATOM 647 CB LYS A 44 -1.145 8.658 5.749 1.00 0.00 C ATOM 648 CG LYS A 44 -0.939 9.086 7.191 1.00 0.00 C ATOM 649 CD LYS A 44 -1.038 7.905 8.142 1.00 0.00 C ATOM 650 CE LYS A 44 -1.223 8.362 9.581 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.549 7.225 10.487 1.00 0.00 N ATOM 0 H LYS A 44 -3.504 9.363 5.875 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.223 10.706 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.818 7.801 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.192 8.327 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.038 9.558 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.685 9.834 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.875 7.271 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.136 7.298 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.313 8.852 9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.021 9.103 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.007 7.587 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.193 6.568 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.674 6.725 10.745 1.00 0.00 H new ATOM 665 N ALA A 45 -2.206 8.483 2.856 1.00 0.00 N ATOM 666 CA ALA A 45 -2.055 8.080 1.464 1.00 0.00 C ATOM 667 C ALA A 45 -2.368 9.236 0.520 1.00 0.00 C ATOM 668 O ALA A 45 -1.799 9.334 -0.568 1.00 0.00 O ATOM 669 CB ALA A 45 -2.952 6.889 1.159 1.00 0.00 C ATOM 0 H ALA A 45 -2.929 7.975 3.366 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.017 7.789 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.829 6.599 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.678 6.053 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.992 7.161 1.340 1.00 0.00 H new ATOM 675 N LEU A 46 -3.276 10.109 0.942 1.00 0.00 N ATOM 676 CA LEU A 46 -3.666 11.259 0.134 1.00 0.00 C ATOM 677 C LEU A 46 -2.532 12.276 0.052 1.00 0.00 C ATOM 678 O LEU A 46 -2.182 12.744 -1.031 1.00 0.00 O ATOM 679 CB LEU A 46 -4.916 11.918 0.719 1.00 0.00 C ATOM 680 CG LEU A 46 -6.184 11.063 0.727 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.232 11.671 1.646 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.733 10.909 -0.684 1.00 0.00 C ATOM 0 H LEU A 46 -3.756 10.042 1.839 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.887 10.906 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.698 12.219 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.120 12.829 0.156 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.929 10.073 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.127 11.049 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.838 11.728 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.484 12.673 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.635 10.298 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.972 11.892 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.986 10.427 -1.315 1.00 0.00 H new ATOM 694 N GLU A 47 -1.961 12.612 1.205 1.00 0.00 N ATOM 695 CA GLU A 47 -0.865 13.573 1.263 1.00 0.00 C ATOM 696 C GLU A 47 0.277 13.150 0.344 1.00 0.00 C ATOM 697 O GLU A 47 0.818 13.963 -0.407 1.00 0.00 O ATOM 698 CB GLU A 47 -0.355 13.712 2.698 1.00 0.00 C ATOM 699 CG GLU A 47 -1.082 14.777 3.502 1.00 0.00 C ATOM 700 CD GLU A 47 -1.200 16.092 2.757 1.00 0.00 C ATOM 701 OE1 GLU A 47 -0.337 16.364 1.896 1.00 0.00 O ATOM 702 OE2 GLU A 47 -2.154 16.848 3.034 1.00 0.00 O ATOM 0 H GLU A 47 -2.239 12.233 2.110 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.243 14.538 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.457 12.753 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.709 13.949 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.079 14.417 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.553 14.942 4.441 1.00 0.00 H new ATOM 709 N LEU A 48 0.641 11.874 0.409 1.00 0.00 N ATOM 710 CA LEU A 48 1.720 11.343 -0.416 1.00 0.00 C ATOM 711 C LEU A 48 1.437 11.575 -1.897 1.00 0.00 C ATOM 712 O LEU A 48 2.327 11.445 -2.737 1.00 0.00 O ATOM 713 CB LEU A 48 1.904 9.848 -0.148 1.00 0.00 C ATOM 714 CG LEU A 48 2.231 9.460 1.294 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.698 8.070 1.607 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.732 9.525 1.537 1.00 0.00 C ATOM 0 H LEU A 48 0.205 11.188 1.025 1.00 0.00 H new ATOM 0 HA LEU A 48 2.638 11.869 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.991 9.331 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.702 9.479 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 48 1.744 10.172 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.940 7.811 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.616 8.057 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.155 7.345 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.946 9.246 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.240 8.836 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.086 10.540 1.355 1.00 0.00 H new ATOM 728 N GLY A 49 0.192 11.920 -2.210 1.00 0.00 N ATOM 729 CA GLY A 49 -0.185 12.167 -3.590 1.00 0.00 C ATOM 730 C GLY A 49 -0.678 10.916 -4.288 1.00 0.00 C ATOM 731 O GLY A 49 -0.518 10.769 -5.500 1.00 0.00 O ATOM 0 H GLY A 49 -0.562 12.033 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.965 12.928 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.672 12.568 -4.131 1.00 0.00 H new ATOM 735 N ALA A 50 -1.279 10.010 -3.523 1.00 0.00 N ATOM 736 CA ALA A 50 -1.797 8.766 -4.077 1.00 0.00 C ATOM 737 C ALA A 50 -3.321 8.785 -4.139 1.00 0.00 C ATOM 738 O ALA A 50 -3.977 9.447 -3.334 1.00 0.00 O ATOM 739 CB ALA A 50 -1.316 7.581 -3.252 1.00 0.00 C ATOM 0 H ALA A 50 -1.419 10.115 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.419 8.665 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.710 6.658 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.227 7.549 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.666 7.686 -2.225 1.00 0.00 H new ATOM 745 N LYS A 51 -3.878 8.056 -5.099 1.00 0.00 N ATOM 746 CA LYS A 51 -5.325 7.988 -5.267 1.00 0.00 C ATOM 747 C LYS A 51 -5.915 6.847 -4.445 1.00 0.00 C ATOM 748 O LYS A 51 -5.385 5.736 -4.438 1.00 0.00 O ATOM 749 CB LYS A 51 -5.680 7.803 -6.745 1.00 0.00 C ATOM 750 CG LYS A 51 -5.385 9.025 -7.598 1.00 0.00 C ATOM 751 CD LYS A 51 -6.122 8.968 -8.926 1.00 0.00 C ATOM 752 CE LYS A 51 -5.683 10.089 -9.855 1.00 0.00 C ATOM 753 NZ LYS A 51 -6.469 11.334 -9.631 1.00 0.00 N ATOM 0 H LYS A 51 -3.349 7.503 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.751 8.926 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.125 6.952 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.739 7.559 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.676 9.926 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.312 9.094 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.939 8.005 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.196 9.038 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.624 10.295 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.797 9.768 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.140 12.074 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.477 11.144 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.340 11.654 -8.650 1.00 0.00 H new ATOM 767 N TYR A 52 -7.016 7.128 -3.756 1.00 0.00 N ATOM 768 CA TYR A 52 -7.677 6.125 -2.930 1.00 0.00 C ATOM 769 C TYR A 52 -8.942 5.609 -3.609 1.00 0.00 C ATOM 770 O TYR A 52 -9.927 6.335 -3.746 1.00 0.00 O ATOM 771 CB TYR A 52 -8.023 6.710 -1.560 1.00 0.00 C ATOM 772 CG TYR A 52 -9.232 6.070 -0.916 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.192 4.753 -0.473 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.413 6.782 -0.748 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.295 4.164 0.115 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.520 6.201 -0.160 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.456 4.892 0.270 1.00 0.00 C ATOM 778 OH TYR A 52 -12.556 4.309 0.857 1.00 0.00 O ATOM 0 H TYR A 52 -7.469 8.042 -3.753 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.990 5.289 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.165 6.594 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.202 7.780 -1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.284 4.181 -0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.467 7.807 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.248 3.139 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.431 6.769 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.290 4.957 0.892 1.00 0.00 H new ATOM 788 N ARG A 53 -8.907 4.349 -4.031 1.00 0.00 N ATOM 789 CA ARG A 53 -10.050 3.734 -4.696 1.00 0.00 C ATOM 790 C ARG A 53 -10.786 2.790 -3.750 1.00 0.00 C ATOM 791 O ARG A 53 -10.182 2.101 -2.928 1.00 0.00 O ATOM 792 CB ARG A 53 -9.593 2.972 -5.941 1.00 0.00 C ATOM 793 CG ARG A 53 -9.120 3.875 -7.069 1.00 0.00 C ATOM 794 CD ARG A 53 -10.292 4.492 -7.817 1.00 0.00 C ATOM 795 NE ARG A 53 -10.901 5.590 -7.070 1.00 0.00 N ATOM 796 CZ ARG A 53 -12.061 6.148 -7.399 1.00 0.00 C ATOM 797 NH1 ARG A 53 -12.734 5.713 -8.455 1.00 0.00 N ATOM 798 NH2 ARG A 53 -12.549 7.143 -6.670 1.00 0.00 N ATOM 0 H ARG A 53 -8.100 3.734 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.735 4.527 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.784 2.295 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.416 2.355 -6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.489 4.666 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.506 3.301 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.952 4.858 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.042 3.725 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.409 5.948 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.362 4.948 -9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.624 6.143 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.034 7.480 -5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.440 7.571 -6.923 1.00 0.00 H new ATOM 812 N PRO A 54 -12.122 2.757 -3.868 1.00 0.00 N ATOM 813 CA PRO A 54 -12.969 1.901 -3.032 1.00 0.00 C ATOM 814 C PRO A 54 -12.805 0.422 -3.363 1.00 0.00 C ATOM 815 O PRO A 54 -13.261 -0.445 -2.618 1.00 0.00 O ATOM 816 CB PRO A 54 -14.387 2.370 -3.368 1.00 0.00 C ATOM 817 CG PRO A 54 -14.281 2.947 -4.737 1.00 0.00 C ATOM 818 CD PRO A 54 -12.907 3.551 -4.827 1.00 0.00 C ATOM 0 HA PRO A 54 -12.716 1.985 -1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.095 1.541 -3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.739 3.113 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.419 2.178 -5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.050 3.701 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.501 3.478 -5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.915 4.608 -4.562 1.00 0.00 H new ATOM 826 N ASP A 55 -12.151 0.140 -4.485 1.00 0.00 N ATOM 827 CA ASP A 55 -11.925 -1.235 -4.913 1.00 0.00 C ATOM 828 C ASP A 55 -10.831 -1.301 -5.974 1.00 0.00 C ATOM 829 O ASP A 55 -10.467 -0.286 -6.568 1.00 0.00 O ATOM 830 CB ASP A 55 -13.219 -1.840 -5.459 1.00 0.00 C ATOM 831 CG ASP A 55 -13.784 -1.047 -6.621 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.302 -1.234 -7.757 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.709 -0.238 -6.394 1.00 0.00 O ATOM 0 H ASP A 55 -11.768 0.846 -5.114 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.601 -1.811 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.031 -2.865 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.960 -1.887 -4.661 1.00 0.00 H new ATOM 838 N TRP A 56 -10.310 -2.500 -6.206 1.00 0.00 N ATOM 839 CA TRP A 56 -9.256 -2.698 -7.195 1.00 0.00 C ATOM 840 C TRP A 56 -9.735 -2.304 -8.587 1.00 0.00 C ATOM 841 O TRP A 56 -10.775 -2.771 -9.053 1.00 0.00 O ATOM 842 CB TRP A 56 -8.795 -4.156 -7.194 1.00 0.00 C ATOM 843 CG TRP A 56 -7.466 -4.359 -7.856 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.220 -5.054 -9.006 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.200 -3.865 -7.405 1.00 0.00 C ATOM 846 NE1 TRP A 56 -5.878 -5.020 -9.298 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.231 -4.297 -8.332 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.792 -3.097 -6.311 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -3.880 -3.987 -8.194 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.451 -2.791 -6.176 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.508 -3.234 -7.113 1.00 0.00 C ATOM 0 H TRP A 56 -10.600 -3.350 -5.723 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.415 -2.059 -6.926 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.738 -4.511 -6.165 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.542 -4.766 -7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.970 -5.556 -9.599 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.435 -5.462 -10.104 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.511 -2.749 -5.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.152 -4.329 -8.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.124 -2.200 -5.333 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.468 -2.976 -6.980 1.00 0.00 H new ATOM 862 N THR A 57 -8.971 -1.440 -9.249 1.00 0.00 N ATOM 863 CA THR A 57 -9.319 -0.983 -10.588 1.00 0.00 C ATOM 864 C THR A 57 -8.180 -1.238 -11.569 1.00 0.00 C ATOM 865 O THR A 57 -7.149 -1.802 -11.205 1.00 0.00 O ATOM 866 CB THR A 57 -9.662 0.519 -10.598 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.493 1.290 -10.297 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.755 0.831 -9.587 1.00 0.00 C ATOM 0 H THR A 57 -8.107 -1.043 -8.879 1.00 0.00 H new ATOM 0 HA THR A 57 -10.196 -1.551 -10.897 1.00 0.00 H new ATOM 0 HB THR A 57 -10.023 0.780 -11.593 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.719 2.244 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.980 1.897 -9.612 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.653 0.265 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.416 0.555 -8.588 1.00 0.00 H new ATOM 876 N ARG A 58 -8.374 -0.819 -12.816 1.00 0.00 N ATOM 877 CA ARG A 58 -7.363 -1.003 -13.850 1.00 0.00 C ATOM 878 C ARG A 58 -6.254 0.037 -13.717 1.00 0.00 C ATOM 879 O ARG A 58 -5.256 -0.011 -14.436 1.00 0.00 O ATOM 880 CB ARG A 58 -8.000 -0.912 -15.238 1.00 0.00 C ATOM 881 CG ARG A 58 -8.425 0.496 -15.621 1.00 0.00 C ATOM 882 CD ARG A 58 -8.475 0.671 -17.131 1.00 0.00 C ATOM 883 NE ARG A 58 -8.233 2.055 -17.529 1.00 0.00 N ATOM 884 CZ ARG A 58 -7.020 2.576 -17.677 1.00 0.00 C ATOM 885 NH1 ARG A 58 -5.944 1.832 -17.460 1.00 0.00 N ATOM 886 NH2 ARG A 58 -6.881 3.844 -18.043 1.00 0.00 N ATOM 0 H ARG A 58 -9.222 -0.350 -13.134 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.925 -1.993 -13.723 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.292 -1.283 -15.979 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.870 -1.567 -15.273 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.406 0.710 -15.196 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.728 1.217 -15.193 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.731 0.025 -17.596 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.450 0.352 -17.501 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.040 2.655 -17.703 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.046 0.857 -17.179 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.014 2.235 -17.574 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.706 4.420 -18.211 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.949 4.243 -18.156 1.00 0.00 H new ATOM 900 N ASP A 59 -6.438 0.975 -12.795 1.00 0.00 N ATOM 901 CA ASP A 59 -5.453 2.027 -12.568 1.00 0.00 C ATOM 902 C ASP A 59 -4.682 1.780 -11.275 1.00 0.00 C ATOM 903 O ASP A 59 -3.655 2.409 -11.023 1.00 0.00 O ATOM 904 CB ASP A 59 -6.138 3.393 -12.515 1.00 0.00 C ATOM 905 CG ASP A 59 -6.997 3.658 -13.736 1.00 0.00 C ATOM 906 OD1 ASP A 59 -6.449 3.660 -14.858 1.00 0.00 O ATOM 907 OD2 ASP A 59 -8.217 3.863 -13.569 1.00 0.00 O ATOM 0 H ASP A 59 -7.259 1.029 -12.193 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.747 2.015 -13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.757 3.451 -11.620 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.381 4.173 -12.431 1.00 0.00 H new ATOM 912 N SER A 60 -5.186 0.859 -10.459 1.00 0.00 N ATOM 913 CA SER A 60 -4.548 0.532 -9.189 1.00 0.00 C ATOM 914 C SER A 60 -3.178 -0.100 -9.417 1.00 0.00 C ATOM 915 O SER A 60 -3.037 -1.041 -10.199 1.00 0.00 O ATOM 916 CB SER A 60 -5.432 -0.417 -8.379 1.00 0.00 C ATOM 917 OG SER A 60 -6.322 0.303 -7.543 1.00 0.00 O ATOM 0 H SER A 60 -6.034 0.327 -10.655 1.00 0.00 H new ATOM 0 HA SER A 60 -4.414 1.457 -8.629 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.000 -1.056 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.807 -1.072 -7.772 1.00 0.00 H new ATOM 0 HG SER A 60 -7.156 0.479 -8.027 1.00 0.00 H new ATOM 923 N THR A 61 -2.169 0.423 -8.727 1.00 0.00 N ATOM 924 CA THR A 61 -0.810 -0.088 -8.854 1.00 0.00 C ATOM 925 C THR A 61 -0.428 -0.939 -7.648 1.00 0.00 C ATOM 926 O THR A 61 0.150 -2.009 -7.826 1.00 0.00 O ATOM 927 CB THR A 61 0.209 1.057 -9.003 1.00 0.00 C ATOM 928 OG1 THR A 61 0.148 1.920 -7.862 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.060 1.860 -10.267 1.00 0.00 C ATOM 0 H THR A 61 -2.268 1.201 -8.074 1.00 0.00 H new ATOM 0 HA THR A 61 -0.787 -0.704 -9.753 1.00 0.00 H new ATOM 0 HB THR A 61 1.205 0.620 -9.074 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.887 1.710 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.672 2.663 -10.351 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.017 1.207 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.062 2.286 -10.221 1.00 0.00 H new ATOM 937 N HIS A 62 -0.757 -0.451 -6.460 1.00 0.00 N ATOM 938 CA HIS A 62 -0.443 -1.177 -5.241 1.00 0.00 C ATOM 939 C HIS A 62 -1.724 -1.409 -4.438 1.00 0.00 C ATOM 940 O HIS A 62 -2.694 -0.655 -4.522 1.00 0.00 O ATOM 941 CB HIS A 62 0.636 -0.448 -4.437 1.00 0.00 C ATOM 942 CG HIS A 62 1.876 -0.117 -5.233 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.833 0.543 -6.449 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.193 -0.362 -4.975 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.073 0.684 -6.893 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.915 0.122 -5.978 1.00 0.00 N ATOM 0 H HIS A 62 -1.237 0.437 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.030 -2.154 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.216 0.475 -4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.918 -1.065 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.582 -0.865 -4.102 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.366 1.160 -7.817 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.931 0.081 -6.053 1.00 0.00 H new ATOM 954 N LEU A 63 -1.707 -2.479 -3.651 1.00 0.00 N ATOM 955 CA LEU A 63 -2.853 -2.837 -2.822 1.00 0.00 C ATOM 956 C LEU A 63 -2.469 -2.864 -1.346 1.00 0.00 C ATOM 957 O LEU A 63 -1.674 -3.701 -0.916 1.00 0.00 O ATOM 958 CB LEU A 63 -3.405 -4.201 -3.241 1.00 0.00 C ATOM 959 CG LEU A 63 -4.194 -4.962 -2.176 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.569 -4.342 -1.985 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.318 -6.432 -2.552 1.00 0.00 C ATOM 0 H LEU A 63 -0.913 -3.114 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.624 -2.080 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.049 -4.059 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.571 -4.825 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.652 -4.893 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.116 -4.897 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.460 -3.304 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.119 -4.379 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.883 -6.958 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.836 -6.521 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.324 -6.871 -2.637 1.00 0.00 H new ATOM 973 N ILE A 64 -3.039 -1.945 -0.575 1.00 0.00 N ATOM 974 CA ILE A 64 -2.759 -1.865 0.854 1.00 0.00 C ATOM 975 C ILE A 64 -3.580 -2.888 1.632 1.00 0.00 C ATOM 976 O ILE A 64 -4.803 -2.776 1.725 1.00 0.00 O ATOM 977 CB ILE A 64 -3.053 -0.459 1.408 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.375 0.606 0.543 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.587 -0.351 2.852 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.864 0.533 0.568 1.00 0.00 C ATOM 0 H ILE A 64 -3.698 -1.245 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.698 -2.081 0.981 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.130 -0.291 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.719 0.500 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.689 1.593 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.802 0.649 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.111 -1.089 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.514 -0.535 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.451 1.317 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.510 0.670 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.541 -0.440 0.199 1.00 0.00 H new ATOM 992 N CYS A 65 -2.900 -3.882 2.192 1.00 0.00 N ATOM 993 CA CYS A 65 -3.566 -4.924 2.965 1.00 0.00 C ATOM 994 C CYS A 65 -3.163 -4.854 4.434 1.00 0.00 C ATOM 995 O CYS A 65 -2.067 -4.402 4.766 1.00 0.00 O ATOM 996 CB CYS A 65 -3.229 -6.303 2.397 1.00 0.00 C ATOM 997 SG CYS A 65 -4.357 -7.615 2.923 1.00 0.00 S ATOM 0 H CYS A 65 -1.888 -3.988 2.125 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.642 -4.762 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.236 -6.247 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.215 -6.569 2.696 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.689 -8.534 3.556 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.056 -5.302 5.310 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.794 -5.290 6.743 1.00 0.00 C ATOM 1005 C ALA A 66 -3.077 -6.563 7.181 1.00 0.00 C ATOM 1006 O ALA A 66 -2.322 -6.559 8.153 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.093 -5.121 7.517 1.00 0.00 C ATOM 0 H ALA A 66 -4.968 -5.678 5.052 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.142 -4.444 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.881 -5.114 8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.565 -4.180 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.765 -5.948 7.286 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.319 -7.651 6.458 1.00 0.00 N ATOM 1014 CA PHE A 67 -2.698 -8.932 6.772 1.00 0.00 C ATOM 1015 C PHE A 67 -2.952 -9.947 5.662 1.00 0.00 C ATOM 1016 O PHE A 67 -3.750 -9.706 4.756 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.232 -9.469 8.102 1.00 0.00 C ATOM 1018 CG PHE A 67 -4.643 -9.045 8.396 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.570 -8.918 7.375 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.041 -8.772 9.695 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -6.868 -8.527 7.643 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.338 -8.381 9.969 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.253 -8.259 8.942 1.00 0.00 C ATOM 0 H PHE A 67 -3.941 -7.671 5.650 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.623 -8.775 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.183 -10.558 8.091 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.583 -9.129 8.909 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.275 -9.127 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.330 -8.866 10.502 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.581 -8.431 6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.636 -8.171 10.986 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.267 -7.955 9.154 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.267 -11.084 5.739 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.419 -12.136 4.742 1.00 0.00 C ATOM 1035 C ALA A 68 -3.629 -13.013 5.049 1.00 0.00 C ATOM 1036 O ALA A 68 -4.372 -12.752 5.994 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.156 -12.983 4.672 1.00 0.00 C ATOM 0 H ALA A 68 -1.602 -11.299 6.482 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.582 -11.664 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.283 -13.765 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.310 -12.353 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.969 -13.439 5.644 1.00 0.00 H new ATOM 1043 N ASN A 69 -3.820 -14.052 4.243 1.00 0.00 N ATOM 1044 CA ASN A 69 -4.942 -14.966 4.428 1.00 0.00 C ATOM 1045 C ASN A 69 -6.270 -14.248 4.211 1.00 0.00 C ATOM 1046 O ASN A 69 -7.273 -14.565 4.852 1.00 0.00 O ATOM 1047 CB ASN A 69 -4.903 -15.577 5.830 1.00 0.00 C ATOM 1048 CG ASN A 69 -3.501 -15.980 6.246 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -2.945 -15.437 7.201 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -2.924 -16.937 5.530 1.00 0.00 N ATOM 0 H ASN A 69 -3.213 -14.282 3.456 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.855 -15.763 3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.300 -14.859 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.554 -16.451 5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.982 -17.251 5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.423 -17.359 4.747 1.00 0.00 H new ATOM 1057 N THR A 70 -6.271 -13.279 3.301 1.00 0.00 N ATOM 1058 CA THR A 70 -7.475 -12.515 2.998 1.00 0.00 C ATOM 1059 C THR A 70 -7.940 -12.765 1.568 1.00 0.00 C ATOM 1060 O THR A 70 -7.180 -13.221 0.714 1.00 0.00 O ATOM 1061 CB THR A 70 -7.247 -11.005 3.195 1.00 0.00 C ATOM 1062 OG1 THR A 70 -5.877 -10.678 2.935 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.614 -10.582 4.609 1.00 0.00 C ATOM 0 H THR A 70 -5.451 -13.005 2.761 1.00 0.00 H new ATOM 0 HA THR A 70 -8.245 -12.852 3.692 1.00 0.00 H new ATOM 0 HB THR A 70 -7.888 -10.469 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.753 -9.708 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.445 -9.511 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.665 -10.805 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.996 -11.126 5.323 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.219 -12.461 1.299 1.00 0.00 N ATOM 1072 CA PRO A 71 -9.813 -12.643 -0.028 1.00 0.00 C ATOM 1073 C PRO A 71 -9.260 -11.658 -1.052 1.00 0.00 C ATOM 1074 O PRO A 71 -8.876 -12.043 -2.156 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.303 -12.385 0.212 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.346 -11.503 1.411 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.181 -11.914 2.270 1.00 0.00 C ATOM 0 HA PRO A 71 -9.598 -13.629 -0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.765 -11.904 -0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.843 -13.316 0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.270 -10.454 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.287 -11.620 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.765 -11.067 2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.471 -12.658 3.012 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.222 -10.383 -0.678 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.714 -9.341 -1.563 1.00 0.00 C ATOM 1087 C LYS A 72 -7.203 -9.463 -1.737 1.00 0.00 C ATOM 1088 O LYS A 72 -6.621 -8.855 -2.635 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.063 -7.958 -1.008 1.00 0.00 C ATOM 1090 CG LYS A 72 -10.402 -7.429 -1.494 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.316 -6.925 -2.925 1.00 0.00 C ATOM 1092 CE LYS A 72 -11.423 -5.928 -3.232 1.00 0.00 C ATOM 1093 NZ LYS A 72 -12.758 -6.585 -3.301 1.00 0.00 N ATOM 0 H LYS A 72 -9.537 -10.047 0.232 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.186 -9.465 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.074 -8.005 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.280 -7.254 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.151 -8.218 -1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.733 -6.621 -0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.346 -6.455 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.382 -7.768 -3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.438 -5.154 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.213 -5.432 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.485 -5.872 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.752 -7.306 -4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.970 -7.036 -2.388 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.575 -10.254 -0.874 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.133 -10.456 -0.932 1.00 0.00 C ATOM 1109 C TYR A 73 -4.751 -11.324 -2.127 1.00 0.00 C ATOM 1110 O TYR A 73 -3.817 -11.010 -2.864 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.634 -11.102 0.362 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.293 -11.785 0.220 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.109 -11.079 0.390 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.210 -13.139 -0.085 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -0.882 -11.699 0.260 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.987 -13.768 -0.215 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.826 -13.043 -0.042 1.00 0.00 C ATOM 1118 OH TYR A 73 0.395 -13.666 -0.170 1.00 0.00 O ATOM 0 H TYR A 73 -7.043 -10.766 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.661 -9.481 -1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.563 -10.338 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.370 -11.831 0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.149 -10.026 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.117 -13.709 -0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.029 -11.134 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.940 -14.821 -0.451 1.00 0.00 H new ATOM 0 HH TYR A 73 0.258 -14.613 -0.383 1.00 0.00 H new ATOM 1128 N SER A 74 -5.483 -12.418 -2.312 1.00 0.00 N ATOM 1129 CA SER A 74 -5.221 -13.335 -3.416 1.00 0.00 C ATOM 1130 C SER A 74 -5.909 -12.860 -4.692 1.00 0.00 C ATOM 1131 O SER A 74 -5.460 -13.158 -5.798 1.00 0.00 O ATOM 1132 CB SER A 74 -5.699 -14.745 -3.060 1.00 0.00 C ATOM 1133 OG SER A 74 -5.454 -15.650 -4.122 1.00 0.00 O ATOM 0 H SER A 74 -6.262 -12.691 -1.712 1.00 0.00 H new ATOM 0 HA SER A 74 -4.145 -13.356 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.189 -15.089 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.765 -14.725 -2.834 1.00 0.00 H new ATOM 0 HG SER A 74 -5.767 -16.544 -3.869 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.000 -12.120 -4.528 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.751 -11.604 -5.666 1.00 0.00 C ATOM 1141 C GLN A 75 -6.869 -10.726 -6.547 1.00 0.00 C ATOM 1142 O GLN A 75 -6.926 -10.803 -7.775 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.965 -10.807 -5.185 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.857 -10.317 -6.314 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.429 -11.451 -7.141 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.007 -11.682 -8.275 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.395 -12.167 -6.577 1.00 0.00 N ATOM 0 H GLN A 75 -7.384 -11.864 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.094 -12.453 -6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.554 -11.429 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.620 -9.950 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.674 -9.729 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.285 -9.653 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.714 -11.941 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.818 -12.943 -7.086 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.052 -9.890 -5.913 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.157 -8.997 -6.639 1.00 0.00 C ATOM 1158 C VAL A 76 -3.842 -9.692 -6.975 1.00 0.00 C ATOM 1159 O VAL A 76 -3.071 -9.215 -7.808 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.858 -7.722 -5.829 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -4.033 -6.746 -6.654 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.152 -7.074 -5.360 1.00 0.00 C ATOM 0 H VAL A 76 -5.992 -9.813 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.666 -8.721 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.277 -7.999 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.832 -5.851 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.090 -7.214 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.585 -6.472 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.922 -6.174 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.761 -6.810 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.701 -7.773 -4.730 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.593 -10.822 -6.322 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.370 -11.584 -6.552 1.00 0.00 C ATOM 1174 C LEU A 77 -2.408 -12.277 -7.911 1.00 0.00 C ATOM 1175 O LEU A 77 -1.409 -12.313 -8.628 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.176 -12.620 -5.444 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.090 -13.669 -5.688 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.286 -13.023 -5.683 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.168 -14.771 -4.642 1.00 0.00 C ATOM 0 H LEU A 77 -4.221 -11.231 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.530 -10.889 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.943 -12.093 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.123 -13.136 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.256 -14.115 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.046 -13.784 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.338 -12.271 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.462 -12.550 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.388 -15.508 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.028 -14.342 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.144 -15.254 -4.694 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.569 -12.823 -8.259 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.716 -13.505 -9.531 1.00 0.00 C ATOM 1193 C GLY A 78 -3.696 -12.549 -10.707 1.00 0.00 C ATOM 1194 O GLY A 78 -3.285 -12.917 -11.809 1.00 0.00 O ATOM 0 H GLY A 78 -4.410 -12.805 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.912 -14.233 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.653 -14.062 -9.535 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.141 -11.320 -10.475 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.174 -10.307 -11.525 1.00 0.00 C ATOM 1200 C LEU A 79 -2.764 -9.852 -11.888 1.00 0.00 C ATOM 1201 O LEU A 79 -2.380 -9.858 -13.057 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.010 -9.107 -11.077 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.521 -9.330 -11.007 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.193 -8.196 -10.249 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.107 -9.459 -12.406 1.00 0.00 C ATOM 0 H LEU A 79 -4.484 -11.000 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.631 -10.751 -12.409 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.663 -8.795 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.816 -8.280 -11.760 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.707 -10.260 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.268 -8.372 -10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.795 -8.150 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.998 -7.252 -10.758 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.183 -9.617 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.910 -8.546 -12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.648 -10.306 -12.916 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.995 -9.460 -10.876 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.636 -9.010 -11.109 1.00 0.00 C ATOM 1219 C GLY A 80 -0.352 -7.666 -10.469 1.00 0.00 C ATOM 1220 O GLY A 80 0.531 -6.933 -10.912 1.00 0.00 O ATOM 0 H GLY A 80 -2.290 -9.446 -9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.061 -9.750 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.458 -8.943 -12.182 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.106 -7.339 -9.423 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.918 -6.073 -8.740 1.00 0.00 C ATOM 1226 C GLY A 81 0.154 -6.145 -7.670 1.00 0.00 C ATOM 1227 O GLY A 81 0.593 -7.233 -7.294 1.00 0.00 O ATOM 0 H GLY A 81 -1.843 -7.929 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.650 -5.307 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.860 -5.765 -8.286 1.00 0.00 H new ATOM 1231 N ARG A 82 0.577 -4.985 -7.179 1.00 0.00 N ATOM 1232 CA ARG A 82 1.606 -4.922 -6.148 1.00 0.00 C ATOM 1233 C ARG A 82 0.989 -5.026 -4.756 1.00 0.00 C ATOM 1234 O ARG A 82 0.530 -4.031 -4.194 1.00 0.00 O ATOM 1235 CB ARG A 82 2.400 -3.620 -6.269 1.00 0.00 C ATOM 1236 CG ARG A 82 3.803 -3.706 -5.690 1.00 0.00 C ATOM 1237 CD ARG A 82 4.792 -4.256 -6.705 1.00 0.00 C ATOM 1238 NE ARG A 82 4.811 -5.717 -6.714 1.00 0.00 N ATOM 1239 CZ ARG A 82 5.544 -6.437 -7.556 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.313 -5.835 -8.452 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.508 -7.762 -7.502 1.00 0.00 N ATOM 0 H ARG A 82 0.223 -4.076 -7.478 1.00 0.00 H new ATOM 0 HA ARG A 82 2.280 -5.766 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.467 -3.341 -7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.855 -2.824 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.125 -2.716 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.795 -4.344 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.533 -3.891 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.790 -3.882 -6.478 1.00 0.00 H new ATOM 0 HE ARG A 82 4.230 -6.211 -6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.343 -4.816 -8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.875 -6.390 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.917 -8.229 -6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.071 -8.314 -8.149 1.00 0.00 H new ATOM 1255 N ILE A 83 0.980 -6.236 -4.208 1.00 0.00 N ATOM 1256 CA ILE A 83 0.419 -6.470 -2.883 1.00 0.00 C ATOM 1257 C ILE A 83 1.459 -6.222 -1.795 1.00 0.00 C ATOM 1258 O ILE A 83 2.424 -6.974 -1.661 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.120 -7.905 -2.744 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.056 -8.236 -3.909 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.840 -8.075 -1.415 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.303 -9.719 -4.083 1.00 0.00 C ATOM 0 H ILE A 83 1.355 -7.070 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.406 -5.768 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 83 0.722 -8.597 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.010 -7.733 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.632 -7.836 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.215 -9.095 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.147 -7.876 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.675 -7.376 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.975 -9.880 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.357 -10.226 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.756 -10.121 -3.177 1.00 0.00 H new ATOM 1274 N VAL A 84 1.253 -5.163 -1.018 1.00 0.00 N ATOM 1275 CA VAL A 84 2.171 -4.818 0.062 1.00 0.00 C ATOM 1276 C VAL A 84 1.417 -4.550 1.359 1.00 0.00 C ATOM 1277 O VAL A 84 0.193 -4.418 1.362 1.00 0.00 O ATOM 1278 CB VAL A 84 3.014 -3.579 -0.294 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.051 -3.924 -1.352 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.119 -2.442 -0.764 1.00 0.00 C ATOM 0 H VAL A 84 0.459 -4.530 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 84 2.834 -5.672 0.200 1.00 0.00 H new ATOM 0 HB VAL A 84 3.540 -3.250 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.637 -3.036 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.712 -4.704 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.549 -4.280 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.732 -1.575 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.564 -2.757 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.420 -2.178 0.029 1.00 0.00 H new ATOM 1290 N ARG A 85 2.156 -4.471 2.461 1.00 0.00 N ATOM 1291 CA ARG A 85 1.557 -4.220 3.766 1.00 0.00 C ATOM 1292 C ARG A 85 1.286 -2.731 3.963 1.00 0.00 C ATOM 1293 O ARG A 85 1.614 -1.910 3.105 1.00 0.00 O ATOM 1294 CB ARG A 85 2.474 -4.733 4.879 1.00 0.00 C ATOM 1295 CG ARG A 85 2.290 -6.210 5.187 1.00 0.00 C ATOM 1296 CD ARG A 85 3.254 -6.678 6.265 1.00 0.00 C ATOM 1297 NE ARG A 85 3.203 -8.126 6.453 1.00 0.00 N ATOM 1298 CZ ARG A 85 4.202 -8.835 6.968 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.321 -8.233 7.345 1.00 0.00 N ATOM 1300 NH2 ARG A 85 4.081 -10.149 7.107 1.00 0.00 N ATOM 0 H ARG A 85 3.170 -4.577 2.476 1.00 0.00 H new ATOM 0 HA ARG A 85 0.608 -4.754 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.511 -4.556 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.290 -4.156 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.265 -6.390 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.445 -6.794 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.268 -6.383 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.015 -6.182 7.206 1.00 0.00 H new ATOM 0 HE ARG A 85 2.355 -8.619 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.417 -7.223 7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.086 -8.780 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.221 -10.615 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.848 -10.693 7.502 1.00 0.00 H new ATOM 1314 N LYS A 86 0.683 -2.389 5.097 1.00 0.00 N ATOM 1315 CA LYS A 86 0.367 -1.000 5.407 1.00 0.00 C ATOM 1316 C LYS A 86 1.620 -0.238 5.828 1.00 0.00 C ATOM 1317 O LYS A 86 1.809 0.918 5.453 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.682 -0.930 6.518 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.239 -1.583 7.816 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.426 -1.946 8.692 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.787 -0.812 9.639 1.00 0.00 C ATOM 1322 NZ LYS A 86 -0.724 -0.577 10.654 1.00 0.00 N ATOM 0 H LYS A 86 0.403 -3.055 5.817 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.035 -0.535 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.925 0.115 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.597 -1.411 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.338 -2.481 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.421 -0.906 8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.284 -2.184 8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.194 -2.842 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.950 0.101 9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.725 -1.045 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.848 0.366 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.789 -1.300 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.209 -0.633 10.199 1.00 0.00 H new ATOM 1336 N GLU A 87 2.473 -0.895 6.609 1.00 0.00 N ATOM 1337 CA GLU A 87 3.707 -0.279 7.079 1.00 0.00 C ATOM 1338 C GLU A 87 4.300 0.635 6.011 1.00 0.00 C ATOM 1339 O GLU A 87 4.932 1.645 6.324 1.00 0.00 O ATOM 1340 CB GLU A 87 4.724 -1.354 7.468 1.00 0.00 C ATOM 1341 CG GLU A 87 4.355 -2.113 8.732 1.00 0.00 C ATOM 1342 CD GLU A 87 4.779 -1.386 9.993 1.00 0.00 C ATOM 1343 OE1 GLU A 87 4.261 -0.277 10.241 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.628 -1.926 10.732 1.00 0.00 O ATOM 0 H GLU A 87 2.331 -1.853 6.929 1.00 0.00 H new ATOM 0 HA GLU A 87 3.471 0.322 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.824 -2.062 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.699 -0.887 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.277 -2.272 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.822 -3.097 8.710 1.00 0.00 H new ATOM 1351 N TRP A 88 4.093 0.273 4.750 1.00 0.00 N ATOM 1352 CA TRP A 88 4.608 1.060 3.635 1.00 0.00 C ATOM 1353 C TRP A 88 4.125 2.504 3.719 1.00 0.00 C ATOM 1354 O TRP A 88 4.928 3.435 3.773 1.00 0.00 O ATOM 1355 CB TRP A 88 4.175 0.441 2.305 1.00 0.00 C ATOM 1356 CG TRP A 88 4.769 1.125 1.110 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.095 1.325 0.855 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.056 1.701 0.010 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.250 1.990 -0.337 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.014 2.232 -0.875 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.701 1.818 -0.314 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.659 2.870 -2.061 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.350 2.452 -1.490 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.326 2.970 -2.353 1.00 0.00 C ATOM 0 H TRP A 88 3.573 -0.560 4.474 1.00 0.00 H new ATOM 0 HA TRP A 88 5.696 1.057 3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.461 -0.611 2.292 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.088 0.477 2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.904 1.007 1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.141 2.260 -0.754 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.942 1.420 0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.409 3.271 -2.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.306 2.550 -1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.020 3.458 -3.267 1.00 0.00 H new ATOM 1375 N VAL A 89 2.808 2.683 3.729 1.00 0.00 N ATOM 1376 CA VAL A 89 2.218 4.015 3.808 1.00 0.00 C ATOM 1377 C VAL A 89 2.593 4.705 5.114 1.00 0.00 C ATOM 1378 O VAL A 89 3.108 5.824 5.112 1.00 0.00 O ATOM 1379 CB VAL A 89 0.683 3.956 3.693 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.088 5.354 3.778 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.272 3.270 2.399 1.00 0.00 C ATOM 0 H VAL A 89 2.129 1.923 3.683 1.00 0.00 H new ATOM 0 HA VAL A 89 2.616 4.588 2.971 1.00 0.00 H new ATOM 0 HB VAL A 89 0.295 3.370 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.997 5.293 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.354 5.805 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.480 5.966 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.816 3.237 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.669 3.826 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.667 2.254 2.384 1.00 0.00 H new ATOM 1391 N LEU A 90 2.332 4.032 6.229 1.00 0.00 N ATOM 1392 CA LEU A 90 2.643 4.580 7.545 1.00 0.00 C ATOM 1393 C LEU A 90 4.081 5.088 7.598 1.00 0.00 C ATOM 1394 O LEU A 90 4.323 6.272 7.832 1.00 0.00 O ATOM 1395 CB LEU A 90 2.424 3.520 8.626 1.00 0.00 C ATOM 1396 CG LEU A 90 1.003 2.970 8.748 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.989 1.715 9.607 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.071 4.024 9.326 1.00 0.00 C ATOM 0 H LEU A 90 1.906 3.106 6.248 1.00 0.00 H new ATOM 0 HA LEU A 90 1.974 5.420 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.099 2.687 8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.711 3.946 9.587 1.00 0.00 H new ATOM 0 HG LEU A 90 0.648 2.708 7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.031 1.337 9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.624 0.955 9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.363 1.952 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.936 3.615 9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.423 4.318 10.315 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.058 4.896 8.672 1.00 0.00 H new ATOM 1410 N ASP A 91 5.029 4.185 7.377 1.00 0.00 N ATOM 1411 CA ASP A 91 6.443 4.541 7.396 1.00 0.00 C ATOM 1412 C ASP A 91 6.732 5.671 6.413 1.00 0.00 C ATOM 1413 O ASP A 91 7.431 6.630 6.742 1.00 0.00 O ATOM 1414 CB ASP A 91 7.303 3.322 7.057 1.00 0.00 C ATOM 1415 CG ASP A 91 7.345 2.312 8.187 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.455 1.438 8.234 1.00 0.00 O ATOM 1417 OD2 ASP A 91 8.268 2.397 9.025 1.00 0.00 O ATOM 0 H ASP A 91 4.844 3.201 7.183 1.00 0.00 H new ATOM 0 HA ASP A 91 6.692 4.884 8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.912 2.843 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.317 3.649 6.827 1.00 0.00 H new ATOM 1422 N CYS A 92 6.191 5.551 5.206 1.00 0.00 N ATOM 1423 CA CYS A 92 6.392 6.562 4.173 1.00 0.00 C ATOM 1424 C CYS A 92 5.998 7.945 4.682 1.00 0.00 C ATOM 1425 O CYS A 92 6.760 8.893 4.499 1.00 0.00 O ATOM 1426 CB CYS A 92 5.580 6.215 2.925 1.00 0.00 C ATOM 1427 SG CYS A 92 6.433 5.114 1.772 1.00 0.00 S ATOM 0 H CYS A 92 5.610 4.764 4.918 1.00 0.00 H new ATOM 0 HA CYS A 92 7.451 6.577 3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.644 5.748 3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.321 7.137 2.405 1.00 0.00 H new ATOM 0 HG CYS A 92 6.172 3.878 2.078 1.00 0.00 H new ATOM 1433 N HIS A 93 4.830 8.029 5.302 1.00 0.00 N ATOM 1434 CA HIS A 93 4.352 9.296 5.827 1.00 0.00 C ATOM 1435 C HIS A 93 5.246 9.743 6.985 1.00 0.00 C ATOM 1436 O HIS A 93 5.803 10.841 6.994 1.00 0.00 O ATOM 1437 CB HIS A 93 2.877 9.199 6.221 1.00 0.00 C ATOM 1438 CG HIS A 93 2.227 10.532 6.505 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.929 10.963 7.787 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.824 11.525 5.662 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.370 12.161 7.705 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.305 12.508 6.387 1.00 0.00 N ATOM 0 H HIS A 93 4.201 7.240 5.452 1.00 0.00 H new ATOM 0 HA HIS A 93 4.412 10.060 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.330 8.703 5.419 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.789 8.568 7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.912 11.514 4.586 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.026 12.759 8.536 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.921 13.379 6.020 1.00 0.00 H new ATOM 1450 N ARG A 94 5.372 8.860 7.970 1.00 0.00 N ATOM 1451 CA ARG A 94 6.190 9.137 9.145 1.00 0.00 C ATOM 1452 C ARG A 94 7.529 9.748 8.743 1.00 0.00 C ATOM 1453 O ARG A 94 7.924 10.795 9.257 1.00 0.00 O ATOM 1454 CB ARG A 94 6.423 7.854 9.945 1.00 0.00 C ATOM 1455 CG ARG A 94 7.062 8.091 11.304 1.00 0.00 C ATOM 1456 CD ARG A 94 6.069 8.682 12.291 1.00 0.00 C ATOM 1457 NE ARG A 94 6.397 8.335 13.672 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.996 9.042 14.722 1.00 0.00 C ATOM 1459 NH1 ARG A 94 5.255 10.128 14.551 1.00 0.00 N ATOM 1460 NH2 ARG A 94 6.336 8.663 15.948 1.00 0.00 N ATOM 0 H ARG A 94 4.918 7.947 7.978 1.00 0.00 H new ATOM 0 HA ARG A 94 5.655 9.854 9.768 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.469 7.345 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.059 7.185 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.448 7.150 11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.913 8.764 11.195 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.053 9.767 12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.067 8.324 12.055 1.00 0.00 H new ATOM 0 HE ARG A 94 6.965 7.504 13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.991 10.423 13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.949 10.669 15.360 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.906 7.828 16.084 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.027 9.207 16.754 1.00 0.00 H new ATOM 1474 N MET A 95 8.223 9.087 7.823 1.00 0.00 N ATOM 1475 CA MET A 95 9.518 9.566 7.352 1.00 0.00 C ATOM 1476 C MET A 95 9.346 10.560 6.208 1.00 0.00 C ATOM 1477 O MET A 95 10.307 11.200 5.781 1.00 0.00 O ATOM 1478 CB MET A 95 10.385 8.391 6.896 1.00 0.00 C ATOM 1479 CG MET A 95 10.533 7.302 7.946 1.00 0.00 C ATOM 1480 SD MET A 95 12.012 6.299 7.703 1.00 0.00 S ATOM 1481 CE MET A 95 11.290 4.765 7.123 1.00 0.00 C ATOM 0 H MET A 95 7.911 8.218 7.389 1.00 0.00 H new ATOM 0 HA MET A 95 10.013 10.074 8.180 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.951 7.958 5.994 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.374 8.762 6.628 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.567 7.759 8.935 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.654 6.658 7.922 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.539 3.961 7.816 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.207 4.872 7.065 1.00 0.00 H new ATOM 0 HE3 MET A 95 11.685 4.528 6.135 1.00 0.00 H new ATOM 1491 N ARG A 96 8.118 10.685 5.717 1.00 0.00 N ATOM 1492 CA ARG A 96 7.821 11.600 4.622 1.00 0.00 C ATOM 1493 C ARG A 96 8.793 11.394 3.464 1.00 0.00 C ATOM 1494 O ARG A 96 9.252 12.356 2.847 1.00 0.00 O ATOM 1495 CB ARG A 96 7.890 13.049 5.108 1.00 0.00 C ATOM 1496 CG ARG A 96 6.963 13.345 6.275 1.00 0.00 C ATOM 1497 CD ARG A 96 6.933 14.830 6.600 1.00 0.00 C ATOM 1498 NE ARG A 96 8.136 15.260 7.307 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.345 15.044 8.601 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.436 14.406 9.326 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.466 15.466 9.173 1.00 0.00 N ATOM 0 H ARG A 96 7.312 10.163 6.061 1.00 0.00 H new ATOM 0 HA ARG A 96 6.811 11.390 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.915 13.276 5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.642 13.713 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.956 13.003 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.290 12.786 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.831 15.401 5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.056 15.050 7.209 1.00 0.00 H new ATOM 0 HE ARG A 96 8.855 15.753 6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.573 14.080 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.599 14.242 10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.168 15.957 8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.625 15.300 10.167 1.00 0.00 H new ATOM 1515 N ARG A 97 9.101 10.134 3.174 1.00 0.00 N ATOM 1516 CA ARG A 97 10.019 9.802 2.090 1.00 0.00 C ATOM 1517 C ARG A 97 9.537 8.572 1.327 1.00 0.00 C ATOM 1518 O ARG A 97 8.702 7.812 1.819 1.00 0.00 O ATOM 1519 CB ARG A 97 11.424 9.555 2.642 1.00 0.00 C ATOM 1520 CG ARG A 97 11.509 8.364 3.582 1.00 0.00 C ATOM 1521 CD ARG A 97 12.921 7.802 3.643 1.00 0.00 C ATOM 1522 NE ARG A 97 13.309 7.159 2.390 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.499 6.607 2.186 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.413 6.618 3.147 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.778 6.041 1.019 1.00 0.00 N ATOM 0 H ARG A 97 8.729 9.327 3.674 1.00 0.00 H new ATOM 0 HA ARG A 97 10.049 10.646 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.110 9.399 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.760 10.448 3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.192 8.664 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.821 7.587 3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.621 8.606 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.989 7.080 4.457 1.00 0.00 H new ATOM 0 HE ARG A 97 12.629 7.133 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.203 7.051 4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.326 6.193 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.078 6.030 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.693 5.617 0.863 1.00 0.00 H new ATOM 1539 N ARG A 98 10.068 8.383 0.124 1.00 0.00 N ATOM 1540 CA ARG A 98 9.691 7.246 -0.707 1.00 0.00 C ATOM 1541 C ARG A 98 10.452 5.991 -0.290 1.00 0.00 C ATOM 1542 O ARG A 98 11.681 5.947 -0.354 1.00 0.00 O ATOM 1543 CB ARG A 98 9.962 7.553 -2.181 1.00 0.00 C ATOM 1544 CG ARG A 98 9.547 6.434 -3.123 1.00 0.00 C ATOM 1545 CD ARG A 98 9.177 6.971 -4.497 1.00 0.00 C ATOM 1546 NE ARG A 98 8.442 5.988 -5.288 1.00 0.00 N ATOM 1547 CZ ARG A 98 9.002 4.909 -5.825 1.00 0.00 C ATOM 1548 NH1 ARG A 98 10.296 4.675 -5.655 1.00 0.00 N ATOM 1549 NH2 ARG A 98 8.266 4.061 -6.532 1.00 0.00 N ATOM 0 H ARG A 98 10.760 9.002 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 98 8.625 7.066 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.431 8.464 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.026 7.751 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.362 5.717 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.698 5.897 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.572 7.871 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.083 7.261 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 98 7.444 6.138 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.864 5.324 -5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.723 3.846 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.270 4.237 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.696 3.233 -6.944 1.00 0.00 H new ATOM 1563 N LEU A 99 9.713 4.973 0.138 1.00 0.00 N ATOM 1564 CA LEU A 99 10.318 3.717 0.567 1.00 0.00 C ATOM 1565 C LEU A 99 10.064 2.613 -0.455 1.00 0.00 C ATOM 1566 O LEU A 99 9.043 2.593 -1.142 1.00 0.00 O ATOM 1567 CB LEU A 99 9.763 3.301 1.931 1.00 0.00 C ATOM 1568 CG LEU A 99 9.878 4.340 3.047 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.209 3.835 4.317 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.337 4.682 3.310 1.00 0.00 C ATOM 0 H LEU A 99 8.695 4.993 0.197 1.00 0.00 H new ATOM 0 HA LEU A 99 11.394 3.870 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.711 3.042 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.279 2.395 2.250 1.00 0.00 H new ATOM 0 HG LEU A 99 9.366 5.247 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.301 4.587 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.154 3.642 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.692 2.913 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.399 5.423 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.874 3.782 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.785 5.087 2.403 1.00 0.00 H new ATOM 1582 N PRO A 100 11.014 1.672 -0.558 1.00 0.00 N ATOM 1583 CA PRO A 100 10.915 0.547 -1.492 1.00 0.00 C ATOM 1584 C PRO A 100 9.834 -0.450 -1.087 1.00 0.00 C ATOM 1585 O PRO A 100 10.037 -1.271 -0.193 1.00 0.00 O ATOM 1586 CB PRO A 100 12.299 -0.104 -1.412 1.00 0.00 C ATOM 1587 CG PRO A 100 12.814 0.268 -0.065 1.00 0.00 C ATOM 1588 CD PRO A 100 12.258 1.634 0.229 1.00 0.00 C ATOM 0 HA PRO A 100 10.639 0.874 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.235 -1.186 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.955 0.262 -2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.495 -0.453 0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.904 0.280 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.065 1.769 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.948 2.422 -0.072 1.00 0.00 H new ATOM 1596 N SER A 101 8.685 -0.372 -1.751 1.00 0.00 N ATOM 1597 CA SER A 101 7.571 -1.265 -1.457 1.00 0.00 C ATOM 1598 C SER A 101 7.941 -2.714 -1.760 1.00 0.00 C ATOM 1599 O SER A 101 7.204 -3.638 -1.418 1.00 0.00 O ATOM 1600 CB SER A 101 6.338 -0.861 -2.269 1.00 0.00 C ATOM 1601 OG SER A 101 6.567 -1.022 -3.658 1.00 0.00 O ATOM 0 H SER A 101 8.502 0.300 -2.496 1.00 0.00 H new ATOM 0 HA SER A 101 7.341 -1.182 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.484 -1.467 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.083 0.177 -2.057 1.00 0.00 H new ATOM 0 HG SER A 101 5.731 -0.873 -4.147 1.00 0.00 H new ATOM 1607 N GLN A 102 9.088 -2.902 -2.405 1.00 0.00 N ATOM 1608 CA GLN A 102 9.556 -4.238 -2.755 1.00 0.00 C ATOM 1609 C GLN A 102 10.006 -5.000 -1.513 1.00 0.00 C ATOM 1610 O GLN A 102 10.245 -6.207 -1.567 1.00 0.00 O ATOM 1611 CB GLN A 102 10.707 -4.151 -3.759 1.00 0.00 C ATOM 1612 CG GLN A 102 10.289 -3.611 -5.118 1.00 0.00 C ATOM 1613 CD GLN A 102 9.800 -4.699 -6.053 1.00 0.00 C ATOM 1614 OE1 GLN A 102 10.125 -5.874 -5.881 1.00 0.00 O ATOM 1615 NE2 GLN A 102 9.013 -4.313 -7.051 1.00 0.00 N ATOM 0 H GLN A 102 9.710 -2.147 -2.695 1.00 0.00 H new ATOM 0 HA GLN A 102 8.726 -4.779 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.489 -3.512 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.141 -5.143 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.500 -2.871 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.134 -3.097 -5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.769 -3.328 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.653 -5.001 -7.712 1.00 0.00 H new ATOM 1624 N ARG A 103 10.120 -4.288 -0.397 1.00 0.00 N ATOM 1625 CA ARG A 103 10.542 -4.898 0.858 1.00 0.00 C ATOM 1626 C ARG A 103 9.336 -5.284 1.709 1.00 0.00 C ATOM 1627 O ARG A 103 9.444 -6.102 2.623 1.00 0.00 O ATOM 1628 CB ARG A 103 11.444 -3.938 1.638 1.00 0.00 C ATOM 1629 CG ARG A 103 12.914 -4.049 1.269 1.00 0.00 C ATOM 1630 CD ARG A 103 13.752 -3.014 2.002 1.00 0.00 C ATOM 1631 NE ARG A 103 15.142 -3.438 2.149 1.00 0.00 N ATOM 1632 CZ ARG A 103 15.985 -2.903 3.026 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.581 -1.929 3.829 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.234 -3.343 3.100 1.00 0.00 N ATOM 0 H ARG A 103 9.926 -3.288 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 103 11.102 -5.803 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.110 -2.915 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.330 -4.132 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.276 -5.049 1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.031 -3.918 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.717 -2.069 1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.323 -2.832 2.987 1.00 0.00 H new ATOM 0 HE ARG A 103 15.484 -4.186 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.621 -1.588 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.230 -1.520 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.548 -4.092 2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.880 -2.932 3.773 1.00 0.00 H new ATOM 1648 N TYR A 104 8.188 -4.689 1.403 1.00 0.00 N ATOM 1649 CA TYR A 104 6.962 -4.967 2.141 1.00 0.00 C ATOM 1650 C TYR A 104 6.083 -5.958 1.383 1.00 0.00 C ATOM 1651 O TYR A 104 5.013 -6.344 1.855 1.00 0.00 O ATOM 1652 CB TYR A 104 6.189 -3.672 2.394 1.00 0.00 C ATOM 1653 CG TYR A 104 6.935 -2.680 3.258 1.00 0.00 C ATOM 1654 CD1 TYR A 104 6.894 -2.767 4.644 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.683 -1.657 2.687 1.00 0.00 C ATOM 1656 CE1 TYR A 104 7.574 -1.862 5.437 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.367 -0.749 3.472 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.309 -0.856 4.846 1.00 0.00 C ATOM 1659 OH TYR A 104 8.988 0.047 5.632 1.00 0.00 O ATOM 0 H TYR A 104 8.081 -4.011 0.649 1.00 0.00 H new ATOM 0 HA TYR A 104 7.237 -5.411 3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 104 5.956 -3.205 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.239 -3.913 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.321 -3.555 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 104 7.730 -1.571 1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.530 -1.942 6.513 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.944 0.040 3.013 1.00 0.00 H new ATOM 0 HH TYR A 104 9.457 0.691 5.061 1.00 0.00 H new ATOM 1669 N LEU A 105 6.543 -6.366 0.206 1.00 0.00 N ATOM 1670 CA LEU A 105 5.801 -7.312 -0.619 1.00 0.00 C ATOM 1671 C LEU A 105 5.432 -8.559 0.179 1.00 0.00 C ATOM 1672 O LEU A 105 6.255 -9.101 0.917 1.00 0.00 O ATOM 1673 CB LEU A 105 6.625 -7.704 -1.847 1.00 0.00 C ATOM 1674 CG LEU A 105 6.620 -6.706 -3.005 1.00 0.00 C ATOM 1675 CD1 LEU A 105 7.745 -7.015 -3.981 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.275 -6.721 -3.717 1.00 0.00 C ATOM 0 H LEU A 105 7.427 -6.056 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 105 4.881 -6.827 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.657 -7.860 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.256 -8.661 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 105 6.782 -5.708 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.726 -6.294 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.703 -6.952 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.614 -8.021 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.290 -6.004 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.082 -7.719 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.488 -6.450 -3.013 1.00 0.00 H new ATOM 1688 N MET A 106 4.191 -9.009 0.025 1.00 0.00 N ATOM 1689 CA MET A 106 3.715 -10.193 0.729 1.00 0.00 C ATOM 1690 C MET A 106 3.569 -11.372 -0.228 1.00 0.00 C ATOM 1691 O MET A 106 3.859 -12.514 0.130 1.00 0.00 O ATOM 1692 CB MET A 106 2.376 -9.905 1.409 1.00 0.00 C ATOM 1693 CG MET A 106 2.516 -9.252 2.775 1.00 0.00 C ATOM 1694 SD MET A 106 1.163 -9.675 3.889 1.00 0.00 S ATOM 1695 CE MET A 106 0.038 -8.315 3.586 1.00 0.00 C ATOM 0 H MET A 106 3.497 -8.571 -0.581 1.00 0.00 H new ATOM 0 HA MET A 106 4.451 -10.453 1.489 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.783 -9.257 0.764 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.824 -10.839 1.517 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.461 -9.558 3.225 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.557 -8.170 2.654 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.271 -7.880 4.536 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.539 -7.556 2.985 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.839 -8.680 3.052 1.00 0.00 H new