USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 Single : A 16 LYS NZ :NH3+ -176:sc= 1.32 (180deg=1.16) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -139:sc= -0.417 (180deg=-2.09!) USER MOD Single : A 23 THR OG1 : rot 123:sc= 0.957 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.25 K(o=-1.2,f=0) USER MOD Single : A 29 THR OG1 : rot -4:sc= 1.49 USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.11) USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.8 USER MOD Single : A 37 THR OG1 : rot -50:sc= 1.2 USER MOD Single : A 38 SER OG : rot 85:sc= 1.16 USER MOD Single : A 41 GLN : amide:sc= 1.08 K(o=1.1,f=-0.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 58 SER OG : rot -21:sc= 0.433 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 78:sc= 0.528 USER MOD Single : A 70 TYR OH : rot -130:sc= 0.457 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 80:sc= 0.63 USER MOD Single : A 81 GLN : amide:sc= -4.87! K(o=-4.9!,f=-2.8) USER MOD Single : A 84 CYS SG : rot -138:sc= -0.902 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 0.320 13.144 0.926 1.00 0.00 N ATOM 234 CA LYS A 16 0.836 13.273 -0.412 1.00 0.00 C ATOM 235 C LYS A 16 0.169 12.205 -1.268 1.00 0.00 C ATOM 236 O LYS A 16 -0.109 11.106 -0.771 1.00 0.00 O ATOM 237 CB LYS A 16 2.411 13.270 -0.477 1.00 0.00 C ATOM 238 CG LYS A 16 3.144 11.916 -0.470 1.00 0.00 C ATOM 239 CD LYS A 16 3.192 11.285 -1.862 1.00 0.00 C ATOM 240 CE LYS A 16 3.929 12.172 -2.857 1.00 0.00 C ATOM 241 NZ LYS A 16 3.825 11.672 -4.248 1.00 0.00 N ATOM 0 HA LYS A 16 0.585 14.254 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.706 13.802 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.779 13.850 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.160 12.055 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.644 11.236 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.685 10.314 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.177 11.107 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.525 13.183 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.980 12.234 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.398 12.271 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.172 10.693 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.831 11.701 -4.554 1.00 0.00 H new ATOM 255 N THR A 17 -0.124 12.521 -2.495 1.00 0.00 N ATOM 256 CA THR A 17 -0.752 11.585 -3.388 1.00 0.00 C ATOM 257 C THR A 17 0.308 10.647 -3.953 1.00 0.00 C ATOM 258 O THR A 17 1.214 11.072 -4.681 1.00 0.00 O ATOM 259 CB THR A 17 -1.486 12.335 -4.503 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.340 13.322 -3.886 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.343 11.380 -5.329 1.00 0.00 C ATOM 0 H THR A 17 0.065 13.435 -2.908 1.00 0.00 H new ATOM 0 HA THR A 17 -1.490 10.992 -2.848 1.00 0.00 H new ATOM 0 HB THR A 17 -0.758 12.802 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.821 13.818 -4.581 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.854 11.937 -6.114 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.707 10.618 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.081 10.903 -4.684 1.00 0.00 H new ATOM 269 N LEU A 18 0.241 9.422 -3.541 1.00 0.00 N ATOM 270 CA LEU A 18 1.212 8.434 -3.883 1.00 0.00 C ATOM 271 C LEU A 18 0.554 7.131 -4.309 1.00 0.00 C ATOM 272 O LEU A 18 -0.175 6.533 -3.530 1.00 0.00 O ATOM 273 CB LEU A 18 2.108 8.169 -2.640 1.00 0.00 C ATOM 274 CG LEU A 18 3.109 7.041 -2.748 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.103 7.317 -3.828 1.00 0.00 C ATOM 276 CD2 LEU A 18 3.811 6.868 -1.429 1.00 0.00 C ATOM 0 H LEU A 18 -0.508 9.073 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 18 1.804 8.803 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.652 9.085 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.457 7.965 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 18 2.580 6.123 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.813 6.493 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.585 7.420 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.637 8.240 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.533 6.055 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.330 7.791 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.080 6.633 -0.656 1.00 0.00 H new ATOM 288 N MET A 19 0.763 6.689 -5.526 1.00 0.00 N ATOM 289 CA MET A 19 0.412 5.332 -5.797 1.00 0.00 C ATOM 290 C MET A 19 1.588 4.484 -5.344 1.00 0.00 C ATOM 291 O MET A 19 2.664 4.476 -5.948 1.00 0.00 O ATOM 292 CB MET A 19 -0.017 5.060 -7.264 1.00 0.00 C ATOM 293 CG MET A 19 1.035 5.155 -8.339 1.00 0.00 C ATOM 294 SD MET A 19 0.333 4.873 -9.973 1.00 0.00 S ATOM 295 CE MET A 19 1.804 4.831 -10.973 1.00 0.00 C ATOM 0 H MET A 19 1.154 7.222 -6.303 1.00 0.00 H new ATOM 0 HA MET A 19 -0.489 5.069 -5.243 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.447 4.059 -7.306 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.814 5.760 -7.514 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.502 6.139 -8.307 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.820 4.423 -8.148 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.531 4.663 -12.015 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.331 5.781 -10.884 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.452 4.023 -10.633 1.00 0.00 H new ATOM 305 N MET A 20 1.398 3.844 -4.230 1.00 0.00 N ATOM 306 CA MET A 20 2.454 3.124 -3.584 1.00 0.00 C ATOM 307 C MET A 20 2.508 1.731 -4.121 1.00 0.00 C ATOM 308 O MET A 20 1.438 1.091 -4.352 1.00 0.00 O ATOM 309 CB MET A 20 2.288 3.200 -2.058 1.00 0.00 C ATOM 310 CG MET A 20 3.308 2.431 -1.231 1.00 0.00 C ATOM 311 SD MET A 20 2.886 0.700 -1.006 1.00 0.00 S ATOM 312 CE MET A 20 1.312 0.879 -0.179 1.00 0.00 C ATOM 0 H MET A 20 0.503 3.806 -3.742 1.00 0.00 H new ATOM 0 HA MET A 20 3.421 3.578 -3.802 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.327 4.248 -1.761 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.294 2.833 -1.803 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.283 2.500 -1.714 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.403 2.904 -0.254 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.237 0.145 0.623 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.233 1.883 0.239 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.505 0.719 -0.894 1.00 0.00 H new ATOM 322 N PHE A 21 3.736 1.261 -4.316 1.00 0.00 N ATOM 323 CA PHE A 21 3.982 0.051 -5.067 1.00 0.00 C ATOM 324 C PHE A 21 4.368 -1.074 -4.129 1.00 0.00 C ATOM 325 O PHE A 21 5.289 -0.939 -3.319 1.00 0.00 O ATOM 326 CB PHE A 21 5.060 0.387 -6.107 1.00 0.00 C ATOM 327 CG PHE A 21 5.535 -0.684 -7.046 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.450 -1.633 -6.624 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.128 -0.688 -8.389 1.00 0.00 C ATOM 330 CE1 PHE A 21 6.952 -2.567 -7.493 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.636 -1.638 -9.262 1.00 0.00 C ATOM 332 CZ PHE A 21 6.550 -2.572 -8.812 1.00 0.00 C ATOM 0 H PHE A 21 4.579 1.710 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 21 3.093 -0.303 -5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.684 1.211 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.931 0.759 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.774 -1.638 -5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.420 0.048 -8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.664 -3.300 -7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.317 -1.648 -10.294 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.950 -3.307 -9.495 1.00 0.00 H new ATOM 342 N VAL A 22 3.660 -2.161 -4.241 1.00 0.00 N ATOM 343 CA VAL A 22 3.811 -3.283 -3.350 1.00 0.00 C ATOM 344 C VAL A 22 4.102 -4.590 -4.107 1.00 0.00 C ATOM 345 O VAL A 22 3.520 -4.846 -5.171 1.00 0.00 O ATOM 346 CB VAL A 22 2.522 -3.435 -2.412 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.309 -2.669 -2.974 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.120 -4.897 -2.257 1.00 0.00 C ATOM 0 H VAL A 22 2.952 -2.298 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 22 4.677 -3.084 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 22 2.802 -3.017 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.456 -2.799 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.552 -1.609 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.060 -3.057 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.242 -4.967 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.888 -5.316 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.942 -5.455 -1.809 1.00 0.00 H new ATOM 358 N THR A 23 5.026 -5.371 -3.579 1.00 0.00 N ATOM 359 CA THR A 23 5.260 -6.690 -4.051 1.00 0.00 C ATOM 360 C THR A 23 4.713 -7.779 -2.972 1.00 0.00 C ATOM 361 O THR A 23 5.045 -7.651 -1.755 1.00 0.00 O ATOM 362 CB THR A 23 6.767 -6.894 -4.336 1.00 0.00 C ATOM 363 OG1 THR A 23 7.183 -6.046 -5.429 1.00 0.00 O ATOM 364 CG2 THR A 23 7.096 -8.346 -4.635 1.00 0.00 C ATOM 0 H THR A 23 5.630 -5.090 -2.806 1.00 0.00 H new ATOM 0 HA THR A 23 4.716 -6.837 -4.984 1.00 0.00 H new ATOM 0 HB THR A 23 7.316 -6.616 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.917 -5.468 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.164 -8.445 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.824 -8.964 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.536 -8.673 -5.511 1.00 0.00 H new ATOM 372 N VAL A 24 3.904 -8.828 -3.440 1.00 0.00 N ATOM 373 CA VAL A 24 3.269 -9.908 -2.669 1.00 0.00 C ATOM 374 C VAL A 24 3.927 -11.250 -3.151 1.00 0.00 C ATOM 375 O VAL A 24 3.510 -11.756 -4.163 1.00 0.00 O ATOM 376 CB VAL A 24 1.727 -9.965 -3.100 1.00 0.00 C ATOM 377 CG1 VAL A 24 0.952 -11.115 -2.491 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.018 -8.702 -2.757 1.00 0.00 C ATOM 0 H VAL A 24 3.689 -8.910 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 24 3.378 -9.756 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 24 1.758 -10.114 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.082 -11.079 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.403 -12.059 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.976 -11.035 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.025 -8.776 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.069 -8.537 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.490 -7.867 -3.275 1.00 0.00 H new ATOM 388 N SER A 25 4.988 -11.807 -2.507 1.00 0.00 N ATOM 389 CA SER A 25 5.596 -12.974 -3.116 1.00 0.00 C ATOM 390 C SER A 25 5.701 -14.162 -2.155 1.00 0.00 C ATOM 391 O SER A 25 6.696 -14.903 -2.176 1.00 0.00 O ATOM 392 CB SER A 25 6.969 -12.622 -3.698 1.00 0.00 C ATOM 393 OG SER A 25 7.115 -13.153 -5.011 1.00 0.00 O ATOM 0 H SER A 25 5.401 -11.483 -1.632 1.00 0.00 H new ATOM 0 HA SER A 25 4.936 -13.288 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.091 -11.539 -3.724 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.754 -13.016 -3.053 1.00 0.00 H new ATOM 0 HG SER A 25 7.998 -12.915 -5.364 1.00 0.00 H new ATOM 399 N GLY A 26 4.706 -14.329 -1.288 1.00 0.00 N ATOM 400 CA GLY A 26 4.607 -15.550 -0.522 1.00 0.00 C ATOM 401 C GLY A 26 4.472 -16.729 -1.463 1.00 0.00 C ATOM 402 O GLY A 26 4.981 -17.818 -1.190 1.00 0.00 O ATOM 0 H GLY A 26 3.973 -13.643 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.491 -15.671 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.747 -15.504 0.146 1.00 0.00 H new ATOM 406 N ASN A 27 3.770 -16.517 -2.571 1.00 0.00 N ATOM 407 CA ASN A 27 3.776 -17.434 -3.655 1.00 0.00 C ATOM 408 C ASN A 27 4.502 -16.706 -4.748 1.00 0.00 C ATOM 409 O ASN A 27 4.461 -15.480 -4.794 1.00 0.00 O ATOM 410 CB ASN A 27 2.357 -17.822 -4.141 1.00 0.00 C ATOM 411 CG ASN A 27 1.571 -18.766 -3.241 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.770 -19.561 -3.735 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.739 -18.680 -1.953 1.00 0.00 N ATOM 0 H ASN A 27 3.185 -15.695 -2.722 1.00 0.00 H new ATOM 0 HA ASN A 27 4.242 -18.374 -3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.777 -16.908 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.446 -18.282 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.201 -19.279 -1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.409 -18.013 -1.569 1.00 0.00 H new ATOM 420 N PRO A 28 5.207 -17.384 -5.601 1.00 0.00 N ATOM 421 CA PRO A 28 5.920 -16.740 -6.672 1.00 0.00 C ATOM 422 C PRO A 28 5.070 -16.687 -7.934 1.00 0.00 C ATOM 423 O PRO A 28 5.582 -16.922 -9.037 1.00 0.00 O ATOM 424 CB PRO A 28 7.124 -17.689 -6.888 1.00 0.00 C ATOM 425 CG PRO A 28 6.835 -18.934 -6.087 1.00 0.00 C ATOM 426 CD PRO A 28 5.419 -18.825 -5.610 1.00 0.00 C ATOM 0 HA PRO A 28 6.197 -15.710 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.246 -17.927 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.051 -17.221 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.969 -19.826 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.521 -19.019 -5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.724 -19.334 -6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.288 -19.262 -4.620 1.00 0.00 H new ATOM 434 N THR A 29 3.781 -16.353 -7.821 1.00 0.00 N ATOM 435 CA THR A 29 2.953 -16.448 -9.007 1.00 0.00 C ATOM 436 C THR A 29 2.163 -15.149 -9.184 1.00 0.00 C ATOM 437 O THR A 29 2.703 -14.062 -8.946 1.00 0.00 O ATOM 438 CB THR A 29 2.011 -17.676 -8.877 1.00 0.00 C ATOM 439 OG1 THR A 29 1.214 -17.550 -7.679 1.00 0.00 O ATOM 440 CG2 THR A 29 2.809 -18.981 -8.791 1.00 0.00 C ATOM 0 H THR A 29 3.317 -16.034 -6.971 1.00 0.00 H new ATOM 0 HA THR A 29 3.574 -16.587 -9.892 1.00 0.00 H new ATOM 0 HB THR A 29 1.376 -17.705 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.497 -16.756 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.122 -19.822 -8.701 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.411 -19.099 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.462 -18.951 -7.919 1.00 0.00 H new ATOM 448 N GLU A 30 0.963 -15.245 -9.698 1.00 0.00 N ATOM 449 CA GLU A 30 0.048 -14.130 -9.731 1.00 0.00 C ATOM 450 C GLU A 30 -1.244 -14.609 -9.058 1.00 0.00 C ATOM 451 O GLU A 30 -2.305 -14.001 -9.158 1.00 0.00 O ATOM 452 CB GLU A 30 -0.229 -13.713 -11.178 1.00 0.00 C ATOM 453 CG GLU A 30 -0.938 -12.377 -11.313 1.00 0.00 C ATOM 454 CD GLU A 30 -1.283 -12.053 -12.725 1.00 0.00 C ATOM 455 OE1 GLU A 30 -0.429 -11.526 -13.461 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.417 -12.321 -13.139 1.00 0.00 O ATOM 0 H GLU A 30 0.591 -16.102 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 30 0.463 -13.264 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.716 -13.667 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.833 -14.483 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.849 -12.391 -10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.302 -11.590 -10.908 1.00 0.00 H new ATOM 463 N LYS A 31 -1.116 -15.682 -8.318 1.00 0.00 N ATOM 464 CA LYS A 31 -2.234 -16.332 -7.703 1.00 0.00 C ATOM 465 C LYS A 31 -2.387 -15.776 -6.321 1.00 0.00 C ATOM 466 O LYS A 31 -3.516 -15.543 -5.822 1.00 0.00 O ATOM 467 CB LYS A 31 -2.006 -17.852 -7.687 1.00 0.00 C ATOM 468 CG LYS A 31 -3.219 -18.678 -7.283 1.00 0.00 C ATOM 469 CD LYS A 31 -3.424 -18.731 -5.783 1.00 0.00 C ATOM 470 CE LYS A 31 -4.850 -19.102 -5.471 1.00 0.00 C ATOM 471 NZ LYS A 31 -5.059 -19.366 -4.045 1.00 0.00 N ATOM 0 H LYS A 31 -0.220 -16.130 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.152 -16.150 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.685 -18.167 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.188 -18.075 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.110 -18.259 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.105 -19.692 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.745 -19.460 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.186 -17.764 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.510 -18.295 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.127 -19.986 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.047 -19.650 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.425 -20.131 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.854 -18.505 -3.499 1.00 0.00 H new ATOM 485 N GLU A 32 -1.269 -15.535 -5.707 1.00 0.00 N ATOM 486 CA GLU A 32 -1.264 -14.923 -4.428 1.00 0.00 C ATOM 487 C GLU A 32 -1.813 -13.505 -4.660 1.00 0.00 C ATOM 488 O GLU A 32 -2.735 -13.055 -3.984 1.00 0.00 O ATOM 489 CB GLU A 32 0.176 -15.016 -3.764 1.00 0.00 C ATOM 490 CG GLU A 32 1.282 -14.136 -4.308 1.00 0.00 C ATOM 491 CD GLU A 32 1.484 -14.416 -5.773 1.00 0.00 C ATOM 492 OE1 GLU A 32 1.890 -15.543 -6.124 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.096 -13.590 -6.588 1.00 0.00 O ATOM 0 H GLU A 32 -0.346 -15.757 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.896 -15.422 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.067 -14.792 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.509 -16.051 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.029 -13.086 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.207 -14.321 -3.762 1.00 0.00 H new ATOM 500 N THR A 33 -1.312 -12.902 -5.720 1.00 0.00 N ATOM 501 CA THR A 33 -1.803 -11.682 -6.258 1.00 0.00 C ATOM 502 C THR A 33 -3.315 -11.753 -6.429 1.00 0.00 C ATOM 503 O THR A 33 -4.002 -11.054 -5.759 1.00 0.00 O ATOM 504 CB THR A 33 -1.152 -11.398 -7.627 1.00 0.00 C ATOM 505 OG1 THR A 33 0.248 -11.337 -7.474 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.643 -10.090 -8.226 1.00 0.00 C ATOM 0 H THR A 33 -0.519 -13.277 -6.240 1.00 0.00 H new ATOM 0 HA THR A 33 -1.552 -10.878 -5.566 1.00 0.00 H new ATOM 0 HB THR A 33 -1.431 -12.206 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.598 -12.237 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.160 -9.927 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.723 -10.136 -8.364 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.398 -9.267 -7.554 1.00 0.00 H new ATOM 514 N GLU A 34 -3.818 -12.661 -7.264 1.00 0.00 N ATOM 515 CA GLU A 34 -5.250 -12.710 -7.580 1.00 0.00 C ATOM 516 C GLU A 34 -6.154 -12.737 -6.340 1.00 0.00 C ATOM 517 O GLU A 34 -7.010 -11.827 -6.175 1.00 0.00 O ATOM 518 CB GLU A 34 -5.615 -13.855 -8.550 1.00 0.00 C ATOM 519 CG GLU A 34 -5.435 -15.260 -7.978 1.00 0.00 C ATOM 520 CD GLU A 34 -5.889 -16.347 -8.907 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.104 -16.777 -9.765 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.054 -16.794 -8.803 1.00 0.00 O ATOM 0 H GLU A 34 -3.259 -13.373 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.445 -11.768 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.653 -13.734 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.003 -13.762 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.383 -15.414 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.990 -15.337 -7.043 1.00 0.00 H new ATOM 529 N GLU A 35 -5.926 -13.705 -5.438 1.00 0.00 N ATOM 530 CA GLU A 35 -6.821 -13.857 -4.290 1.00 0.00 C ATOM 531 C GLU A 35 -6.715 -12.630 -3.400 1.00 0.00 C ATOM 532 O GLU A 35 -7.724 -11.950 -3.090 1.00 0.00 O ATOM 533 CB GLU A 35 -6.537 -15.190 -3.455 1.00 0.00 C ATOM 534 CG GLU A 35 -5.103 -15.340 -2.930 1.00 0.00 C ATOM 535 CD GLU A 35 -4.964 -16.524 -2.026 1.00 0.00 C ATOM 536 OE1 GLU A 35 -5.543 -16.512 -0.924 1.00 0.00 O ATOM 537 OE2 GLU A 35 -4.311 -17.499 -2.401 1.00 0.00 O ATOM 0 H GLU A 35 -5.155 -14.372 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.837 -13.949 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.222 -15.222 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.768 -16.050 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.417 -15.442 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.816 -14.436 -2.392 1.00 0.00 H new ATOM 544 N ILE A 36 -5.500 -12.292 -3.100 1.00 0.00 N ATOM 545 CA ILE A 36 -5.223 -11.285 -2.170 1.00 0.00 C ATOM 546 C ILE A 36 -5.561 -9.883 -2.712 1.00 0.00 C ATOM 547 O ILE A 36 -6.184 -9.111 -2.025 1.00 0.00 O ATOM 548 CB ILE A 36 -3.772 -11.392 -1.704 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.508 -12.746 -1.058 1.00 0.00 C ATOM 550 CG2 ILE A 36 -3.514 -10.365 -0.714 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.035 -13.121 -0.975 1.00 0.00 C ATOM 0 H ILE A 36 -4.672 -12.725 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.870 -11.431 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.124 -11.272 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.928 -12.744 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.036 -13.515 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.480 -10.436 -0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.685 -9.383 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.183 -10.503 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.934 -14.098 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.612 -13.158 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.503 -12.376 -0.384 1.00 0.00 H new ATOM 563 N THR A 37 -5.209 -9.591 -3.959 1.00 0.00 N ATOM 564 CA THR A 37 -5.476 -8.274 -4.544 1.00 0.00 C ATOM 565 C THR A 37 -6.952 -8.040 -4.709 1.00 0.00 C ATOM 566 O THR A 37 -7.426 -6.913 -4.507 1.00 0.00 O ATOM 567 CB THR A 37 -4.789 -8.041 -5.912 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.191 -9.042 -6.845 1.00 0.00 O ATOM 569 CG2 THR A 37 -3.282 -8.041 -5.779 1.00 0.00 C ATOM 0 H THR A 37 -4.739 -10.244 -4.586 1.00 0.00 H new ATOM 0 HA THR A 37 -5.050 -7.565 -3.834 1.00 0.00 H new ATOM 0 HB THR A 37 -5.100 -7.062 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.085 -9.928 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.830 -7.875 -6.757 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.977 -7.246 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.951 -9.002 -5.385 1.00 0.00 H new ATOM 577 N SER A 38 -7.697 -9.087 -5.072 1.00 0.00 N ATOM 578 CA SER A 38 -9.108 -8.926 -5.201 1.00 0.00 C ATOM 579 C SER A 38 -9.735 -8.671 -3.824 1.00 0.00 C ATOM 580 O SER A 38 -10.594 -7.770 -3.688 1.00 0.00 O ATOM 581 CB SER A 38 -9.736 -10.103 -5.954 1.00 0.00 C ATOM 582 OG SER A 38 -9.052 -10.296 -7.183 1.00 0.00 O ATOM 0 H SER A 38 -7.340 -10.021 -5.272 1.00 0.00 H new ATOM 0 HA SER A 38 -9.318 -8.047 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.680 -11.008 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.792 -9.908 -6.140 1.00 0.00 H new ATOM 0 HG SER A 38 -8.262 -10.857 -7.033 1.00 0.00 H new ATOM 588 N LEU A 39 -9.230 -9.375 -2.769 1.00 0.00 N ATOM 589 CA LEU A 39 -9.743 -9.151 -1.425 1.00 0.00 C ATOM 590 C LEU A 39 -9.339 -7.754 -0.997 1.00 0.00 C ATOM 591 O LEU A 39 -10.120 -7.024 -0.369 1.00 0.00 O ATOM 592 CB LEU A 39 -9.197 -10.187 -0.412 1.00 0.00 C ATOM 593 CG LEU A 39 -9.873 -10.211 0.949 1.00 0.00 C ATOM 594 CD1 LEU A 39 -11.302 -10.702 0.835 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.079 -11.071 1.895 1.00 0.00 C ATOM 0 H LEU A 39 -8.492 -10.076 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.827 -9.261 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.283 -11.179 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.134 -9.995 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.907 -9.196 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.764 -10.710 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.863 -10.038 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.308 -11.711 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.567 -11.086 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.021 -12.086 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.073 -10.665 1.999 1.00 0.00 H new ATOM 607 N TRP A 40 -8.145 -7.353 -1.428 1.00 0.00 N ATOM 608 CA TRP A 40 -7.603 -6.100 -1.092 1.00 0.00 C ATOM 609 C TRP A 40 -8.336 -4.997 -1.726 1.00 0.00 C ATOM 610 O TRP A 40 -9.152 -4.408 -1.082 1.00 0.00 O ATOM 611 CB TRP A 40 -6.140 -5.984 -1.420 1.00 0.00 C ATOM 612 CG TRP A 40 -5.207 -6.516 -0.394 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.457 -6.784 0.924 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.849 -6.784 -0.612 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.292 -7.177 1.544 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.285 -7.190 0.609 1.00 0.00 C ATOM 617 CE3 TRP A 40 -3.052 -6.714 -1.739 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.927 -7.517 0.723 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.740 -7.035 -1.642 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.167 -7.429 -0.418 1.00 0.00 C ATOM 0 H TRP A 40 -7.543 -7.919 -2.026 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.710 -6.023 -0.010 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.954 -6.505 -2.359 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.906 -4.933 -1.587 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.421 -6.700 1.405 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.193 -7.418 2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.471 -6.407 -2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.497 -7.824 1.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.119 -6.988 -2.524 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.114 -7.666 -0.375 1.00 0.00 H new ATOM 631 N GLN A 41 -8.115 -4.739 -3.024 1.00 0.00 N ATOM 632 CA GLN A 41 -8.687 -3.549 -3.610 1.00 0.00 C ATOM 633 C GLN A 41 -10.210 -3.612 -3.657 1.00 0.00 C ATOM 634 O GLN A 41 -10.876 -2.557 -3.675 1.00 0.00 O ATOM 635 CB GLN A 41 -7.963 -3.040 -4.917 1.00 0.00 C ATOM 636 CG GLN A 41 -8.288 -3.719 -6.240 1.00 0.00 C ATOM 637 CD GLN A 41 -9.442 -3.021 -6.937 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.601 -3.372 -6.744 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.127 -2.011 -7.733 1.00 0.00 N ATOM 0 H GLN A 41 -7.565 -5.321 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.469 -2.729 -2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.185 -1.978 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.888 -3.126 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.409 -3.709 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.542 -4.764 -6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.149 -1.752 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.862 -1.492 -8.214 1.00 0.00 H new ATOM 648 N GLY A 42 -10.759 -4.848 -3.585 1.00 0.00 N ATOM 649 CA GLY A 42 -12.170 -5.009 -3.412 1.00 0.00 C ATOM 650 C GLY A 42 -12.604 -4.352 -2.122 1.00 0.00 C ATOM 651 O GLY A 42 -13.431 -3.446 -2.140 1.00 0.00 O ATOM 0 H GLY A 42 -10.231 -5.719 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.702 -4.566 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.425 -6.069 -3.395 1.00 0.00 H new ATOM 655 N SER A 43 -11.981 -4.744 -1.011 1.00 0.00 N ATOM 656 CA SER A 43 -12.280 -4.156 0.283 1.00 0.00 C ATOM 657 C SER A 43 -11.753 -2.704 0.368 1.00 0.00 C ATOM 658 O SER A 43 -12.311 -1.878 1.087 1.00 0.00 O ATOM 659 CB SER A 43 -11.717 -5.034 1.412 1.00 0.00 C ATOM 660 OG SER A 43 -11.982 -4.497 2.705 1.00 0.00 O ATOM 0 H SER A 43 -11.264 -5.469 -0.987 1.00 0.00 H new ATOM 0 HA SER A 43 -13.362 -4.112 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.149 -6.032 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.640 -5.143 1.281 1.00 0.00 H new ATOM 0 HG SER A 43 -11.607 -5.090 3.389 1.00 0.00 H new ATOM 666 N LEU A 44 -10.703 -2.396 -0.399 1.00 0.00 N ATOM 667 CA LEU A 44 -10.136 -1.053 -0.440 1.00 0.00 C ATOM 668 C LEU A 44 -11.189 -0.049 -0.940 1.00 0.00 C ATOM 669 O LEU A 44 -11.261 1.083 -0.448 1.00 0.00 O ATOM 670 CB LEU A 44 -8.804 -0.981 -1.274 1.00 0.00 C ATOM 671 CG LEU A 44 -7.660 -1.939 -0.893 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.321 -1.631 -1.653 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.486 -2.011 0.616 1.00 0.00 C ATOM 0 H LEU A 44 -10.228 -3.067 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.857 -0.779 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.055 -1.159 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.423 0.038 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.950 -2.934 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.554 -2.340 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.483 -1.721 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.995 -0.618 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.672 -2.695 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.253 -1.019 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.408 -2.371 1.072 1.00 0.00 H new ATOM 685 N PHE A 45 -12.046 -0.483 -1.880 1.00 0.00 N ATOM 686 CA PHE A 45 -13.141 0.371 -2.329 1.00 0.00 C ATOM 687 C PHE A 45 -14.384 0.097 -1.466 1.00 0.00 C ATOM 688 O PHE A 45 -15.215 0.977 -1.245 1.00 0.00 O ATOM 689 CB PHE A 45 -13.446 0.133 -3.819 1.00 0.00 C ATOM 690 CG PHE A 45 -14.471 1.069 -4.413 1.00 0.00 C ATOM 691 CD1 PHE A 45 -14.105 2.333 -4.842 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.794 0.679 -4.552 1.00 0.00 C ATOM 693 CE1 PHE A 45 -15.035 3.191 -5.394 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.730 1.532 -5.102 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.350 2.791 -5.523 1.00 0.00 C ATOM 0 H PHE A 45 -11.999 -1.397 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.850 1.415 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.519 0.226 -4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.795 -0.892 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.078 2.652 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -16.097 -0.305 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.734 4.174 -5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.758 1.215 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.080 3.461 -5.952 1.00 0.00 H new ATOM 705 N ASN A 46 -14.466 -1.120 -0.939 1.00 0.00 N ATOM 706 CA ASN A 46 -15.596 -1.572 -0.111 1.00 0.00 C ATOM 707 C ASN A 46 -15.684 -0.800 1.204 1.00 0.00 C ATOM 708 O ASN A 46 -16.775 -0.530 1.694 1.00 0.00 O ATOM 709 CB ASN A 46 -15.519 -3.102 0.135 1.00 0.00 C ATOM 710 CG ASN A 46 -16.551 -3.633 1.111 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.308 -3.685 2.327 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.679 -4.054 0.603 1.00 0.00 N ATOM 0 H ASN A 46 -13.748 -1.832 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.513 -1.363 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.639 -3.617 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.525 -3.348 0.507 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.399 -4.443 1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.840 -3.994 -0.402 1.00 0.00 H new ATOM 719 N ALA A 47 -14.542 -0.413 1.752 1.00 0.00 N ATOM 720 CA ALA A 47 -14.501 0.358 2.990 1.00 0.00 C ATOM 721 C ALA A 47 -14.531 1.843 2.674 1.00 0.00 C ATOM 722 O ALA A 47 -14.486 2.684 3.571 1.00 0.00 O ATOM 723 CB ALA A 47 -13.251 0.012 3.786 1.00 0.00 C ATOM 0 H ALA A 47 -13.625 -0.621 1.357 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.374 0.107 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.233 0.595 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.257 -1.051 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.366 0.244 3.193 1.00 0.00 H new ATOM 729 N ASN A 48 -14.626 2.130 1.383 1.00 0.00 N ATOM 730 CA ASN A 48 -14.646 3.464 0.816 1.00 0.00 C ATOM 731 C ASN A 48 -13.438 4.304 1.272 1.00 0.00 C ATOM 732 O ASN A 48 -13.586 5.204 2.099 1.00 0.00 O ATOM 733 CB ASN A 48 -15.962 4.223 1.139 1.00 0.00 C ATOM 734 CG ASN A 48 -16.098 5.533 0.337 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.675 6.612 0.771 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.667 5.445 -0.837 1.00 0.00 N ATOM 0 H ASN A 48 -14.694 1.402 0.672 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.587 3.327 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.813 3.577 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.996 4.448 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.770 6.277 -1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.008 4.544 -1.172 1.00 0.00 H new ATOM 743 N TYR A 49 -12.221 3.943 0.880 1.00 0.00 N ATOM 744 CA TYR A 49 -11.140 4.829 1.112 1.00 0.00 C ATOM 745 C TYR A 49 -10.903 5.560 -0.237 1.00 0.00 C ATOM 746 O TYR A 49 -11.340 5.038 -1.269 1.00 0.00 O ATOM 747 CB TYR A 49 -9.908 4.044 1.554 1.00 0.00 C ATOM 748 CG TYR A 49 -9.885 3.578 2.975 1.00 0.00 C ATOM 749 CD1 TYR A 49 -10.047 4.456 4.033 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.681 2.240 3.251 1.00 0.00 C ATOM 751 CE1 TYR A 49 -10.009 4.004 5.334 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.637 1.771 4.538 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.802 2.660 5.588 1.00 0.00 C ATOM 754 OH TYR A 49 -9.764 2.212 6.896 1.00 0.00 O ATOM 0 H TYR A 49 -11.985 3.066 0.416 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.351 5.544 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.810 3.172 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.029 4.666 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.205 5.506 3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.553 1.547 2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.140 4.696 6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.476 0.721 4.732 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.612 1.244 6.906 1.00 0.00 H new ATOM 764 N ASP A 50 -10.246 6.720 -0.284 1.00 0.00 N ATOM 765 CA ASP A 50 -10.098 7.394 -1.568 1.00 0.00 C ATOM 766 C ASP A 50 -8.777 7.035 -2.181 1.00 0.00 C ATOM 767 O ASP A 50 -7.753 7.699 -1.956 1.00 0.00 O ATOM 768 CB ASP A 50 -10.278 8.912 -1.471 1.00 0.00 C ATOM 769 CG ASP A 50 -10.249 9.587 -2.834 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.190 9.382 -3.633 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.296 10.331 -3.135 1.00 0.00 O ATOM 0 H ASP A 50 -9.826 7.193 0.516 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.900 7.043 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.226 9.132 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.490 9.330 -0.845 1.00 0.00 H new ATOM 776 N VAL A 51 -8.792 5.939 -2.887 1.00 0.00 N ATOM 777 CA VAL A 51 -7.616 5.343 -3.479 1.00 0.00 C ATOM 778 C VAL A 51 -7.956 4.662 -4.803 1.00 0.00 C ATOM 779 O VAL A 51 -9.104 4.391 -5.083 1.00 0.00 O ATOM 780 CB VAL A 51 -6.991 4.280 -2.524 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.106 4.885 -1.467 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.075 3.554 -1.833 1.00 0.00 C ATOM 0 H VAL A 51 -9.647 5.416 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.901 6.147 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.383 3.622 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.702 4.094 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.287 5.424 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.688 5.576 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.645 2.809 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.674 4.258 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.708 3.058 -2.569 1.00 0.00 H new ATOM 792 N GLN A 52 -6.946 4.384 -5.588 1.00 0.00 N ATOM 793 CA GLN A 52 -7.071 3.660 -6.887 1.00 0.00 C ATOM 794 C GLN A 52 -6.061 2.535 -6.825 1.00 0.00 C ATOM 795 O GLN A 52 -4.895 2.769 -6.718 1.00 0.00 O ATOM 796 CB GLN A 52 -6.717 4.631 -8.011 1.00 0.00 C ATOM 797 CG GLN A 52 -7.546 5.909 -7.982 1.00 0.00 C ATOM 798 CD GLN A 52 -6.912 7.062 -8.732 1.00 0.00 C ATOM 799 OE1 GLN A 52 -7.102 8.219 -8.366 1.00 0.00 O ATOM 800 NE2 GLN A 52 -6.177 6.780 -9.764 1.00 0.00 N ATOM 0 H GLN A 52 -5.986 4.647 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.075 3.275 -7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.660 4.889 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.860 4.134 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.528 5.705 -8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.705 6.205 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.039 5.808 -10.042 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.737 7.530 -10.297 1.00 0.00 H new ATOM 809 N ARG A 53 -6.494 1.331 -6.843 1.00 0.00 N ATOM 810 CA ARG A 53 -5.580 0.251 -6.540 1.00 0.00 C ATOM 811 C ARG A 53 -5.519 -0.688 -7.687 1.00 0.00 C ATOM 812 O ARG A 53 -6.545 -0.995 -8.291 1.00 0.00 O ATOM 813 CB ARG A 53 -5.955 -0.470 -5.231 1.00 0.00 C ATOM 814 CG ARG A 53 -6.119 0.425 -4.020 1.00 0.00 C ATOM 815 CD ARG A 53 -7.412 1.177 -4.063 1.00 0.00 C ATOM 816 NE ARG A 53 -8.588 0.297 -4.251 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.671 0.587 -5.022 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.866 1.806 -5.475 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.589 -0.337 -5.252 1.00 0.00 N ATOM 0 H ARG A 53 -7.451 1.052 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.587 0.673 -6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.887 -1.013 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.187 -1.212 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.078 -0.178 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.289 1.130 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.530 1.739 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.376 1.904 -4.874 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.586 -0.599 -3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.202 2.546 -5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.682 2.011 -6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.486 -1.269 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.400 -0.117 -5.830 1.00 0.00 H new ATOM 833 N PHE A 54 -4.347 -1.158 -7.997 1.00 0.00 N ATOM 834 CA PHE A 54 -4.186 -1.904 -9.236 1.00 0.00 C ATOM 835 C PHE A 54 -3.421 -3.168 -9.091 1.00 0.00 C ATOM 836 O PHE A 54 -2.571 -3.312 -8.196 1.00 0.00 O ATOM 837 CB PHE A 54 -3.502 -1.058 -10.320 1.00 0.00 C ATOM 838 CG PHE A 54 -4.333 0.044 -10.893 1.00 0.00 C ATOM 839 CD1 PHE A 54 -5.129 -0.187 -11.990 1.00 0.00 C ATOM 840 CD2 PHE A 54 -4.304 1.305 -10.349 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.884 0.820 -12.534 1.00 0.00 C ATOM 842 CE2 PHE A 54 -5.052 2.319 -10.880 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.849 2.081 -11.978 1.00 0.00 C ATOM 0 H PHE A 54 -3.502 -1.050 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.205 -2.158 -9.528 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.594 -0.625 -9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.194 -1.718 -11.131 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.160 -1.173 -12.428 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.681 1.499 -9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.505 0.626 -13.396 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.018 3.304 -10.439 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.443 2.878 -12.401 1.00 0.00 H new ATOM 853 N ILE A 55 -3.746 -4.090 -9.965 1.00 0.00 N ATOM 854 CA ILE A 55 -2.971 -5.264 -10.175 1.00 0.00 C ATOM 855 C ILE A 55 -2.054 -4.911 -11.329 1.00 0.00 C ATOM 856 O ILE A 55 -2.465 -4.898 -12.492 1.00 0.00 O ATOM 857 CB ILE A 55 -3.836 -6.492 -10.567 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.887 -6.776 -9.489 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.950 -7.722 -10.798 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.821 -7.921 -9.829 1.00 0.00 C ATOM 0 H ILE A 55 -4.575 -4.033 -10.556 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.447 -5.546 -9.262 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.355 -6.265 -11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.380 -7.000 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.478 -5.875 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.573 -8.573 -11.072 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.244 -7.516 -11.602 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.402 -7.953 -9.884 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.536 -8.061 -9.018 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.357 -7.692 -10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.242 -8.835 -9.964 1.00 0.00 H new ATOM 872 N VAL A 56 -0.882 -4.512 -10.995 1.00 0.00 N ATOM 873 CA VAL A 56 0.095 -4.071 -11.937 1.00 0.00 C ATOM 874 C VAL A 56 0.976 -5.210 -12.372 1.00 0.00 C ATOM 875 O VAL A 56 1.554 -5.165 -13.455 1.00 0.00 O ATOM 876 CB VAL A 56 0.953 -2.916 -11.356 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.180 -1.597 -11.353 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.377 -3.258 -9.936 1.00 0.00 C ATOM 0 H VAL A 56 -0.560 -4.480 -10.028 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.437 -3.694 -12.810 1.00 0.00 H new ATOM 0 HB VAL A 56 1.832 -2.796 -11.989 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.808 -0.808 -10.940 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.103 -1.339 -12.373 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.717 -1.703 -10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.979 -2.445 -9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.492 -3.398 -9.316 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.964 -4.176 -9.943 1.00 0.00 H new ATOM 888 N GLY A 57 1.097 -6.236 -11.549 1.00 0.00 N ATOM 889 CA GLY A 57 1.905 -7.331 -11.990 1.00 0.00 C ATOM 890 C GLY A 57 1.724 -8.579 -11.199 1.00 0.00 C ATOM 891 O GLY A 57 1.028 -8.602 -10.185 1.00 0.00 O ATOM 0 H GLY A 57 0.670 -6.325 -10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.676 -7.540 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.953 -7.035 -11.947 1.00 0.00 H new ATOM 895 N SER A 58 2.349 -9.608 -11.666 1.00 0.00 N ATOM 896 CA SER A 58 2.370 -10.874 -11.015 1.00 0.00 C ATOM 897 C SER A 58 3.230 -10.692 -9.766 1.00 0.00 C ATOM 898 O SER A 58 4.382 -10.293 -9.891 1.00 0.00 O ATOM 899 CB SER A 58 2.995 -11.887 -11.999 1.00 0.00 C ATOM 900 OG SER A 58 2.983 -13.218 -11.523 1.00 0.00 O ATOM 0 H SER A 58 2.876 -9.590 -12.539 1.00 0.00 H new ATOM 0 HA SER A 58 1.384 -11.239 -10.729 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.455 -11.843 -12.945 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.024 -11.593 -12.206 1.00 0.00 H new ATOM 0 HG SER A 58 2.900 -13.215 -10.547 1.00 0.00 H new ATOM 906 N ASP A 59 2.610 -10.846 -8.579 1.00 0.00 N ATOM 907 CA ASP A 59 3.221 -10.692 -7.282 1.00 0.00 C ATOM 908 C ASP A 59 3.466 -9.186 -7.011 1.00 0.00 C ATOM 909 O ASP A 59 4.150 -8.809 -6.091 1.00 0.00 O ATOM 910 CB ASP A 59 4.469 -11.662 -7.013 1.00 0.00 C ATOM 911 CG ASP A 59 5.833 -11.239 -7.537 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.470 -10.371 -6.966 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.322 -11.842 -8.519 1.00 0.00 O ATOM 0 H ASP A 59 1.622 -11.093 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 59 2.523 -11.046 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.555 -11.803 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.234 -12.635 -7.444 1.00 0.00 H new ATOM 918 N ARG A 60 2.766 -8.323 -7.806 1.00 0.00 N ATOM 919 CA ARG A 60 2.852 -6.844 -7.706 1.00 0.00 C ATOM 920 C ARG A 60 1.447 -6.164 -7.677 1.00 0.00 C ATOM 921 O ARG A 60 0.606 -6.373 -8.578 1.00 0.00 O ATOM 922 CB ARG A 60 3.673 -6.243 -8.860 1.00 0.00 C ATOM 923 CG ARG A 60 5.164 -6.021 -8.598 1.00 0.00 C ATOM 924 CD ARG A 60 5.995 -7.288 -8.432 1.00 0.00 C ATOM 925 NE ARG A 60 7.426 -6.931 -8.297 1.00 0.00 N ATOM 926 CZ ARG A 60 8.463 -7.759 -8.409 1.00 0.00 C ATOM 927 NH1 ARG A 60 8.290 -9.055 -8.331 1.00 0.00 N ATOM 928 NH2 ARG A 60 9.689 -7.262 -8.468 1.00 0.00 N ATOM 0 H ARG A 60 2.126 -8.641 -8.534 1.00 0.00 H new ATOM 0 HA ARG A 60 3.354 -6.643 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.573 -6.898 -9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.229 -5.285 -9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.578 -5.441 -9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.271 -5.416 -7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.663 -7.840 -7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.853 -7.943 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 60 7.638 -5.953 -8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.356 -9.437 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.090 -9.682 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.833 -6.253 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.490 -7.888 -8.554 1.00 0.00 H new ATOM 942 N ALA A 61 1.265 -5.251 -6.729 1.00 0.00 N ATOM 943 CA ALA A 61 -0.021 -4.595 -6.439 1.00 0.00 C ATOM 944 C ALA A 61 0.218 -3.110 -6.203 1.00 0.00 C ATOM 945 O ALA A 61 1.385 -2.701 -6.078 1.00 0.00 O ATOM 946 CB ALA A 61 -0.620 -5.213 -5.177 1.00 0.00 C ATOM 0 H ALA A 61 2.021 -4.934 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.704 -4.729 -7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.573 -4.733 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.779 -6.280 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.064 -5.067 -4.341 1.00 0.00 H new ATOM 952 N ILE A 62 -0.840 -2.269 -6.197 1.00 0.00 N ATOM 953 CA ILE A 62 -0.644 -0.869 -5.799 1.00 0.00 C ATOM 954 C ILE A 62 -1.812 -0.397 -5.054 1.00 0.00 C ATOM 955 O ILE A 62 -2.956 -0.917 -5.272 1.00 0.00 O ATOM 956 CB ILE A 62 -0.518 0.184 -6.953 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.896 0.814 -7.319 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.080 -0.403 -8.174 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.746 1.975 -8.265 1.00 0.00 C ATOM 0 H ILE A 62 -1.794 -2.524 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 62 0.296 -0.914 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 62 0.141 0.965 -6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.534 0.055 -7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.396 1.148 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.149 0.361 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.077 -0.780 -7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.545 -1.223 -8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.729 2.386 -8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.130 2.745 -7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.270 1.636 -9.185 1.00 0.00 H new ATOM 971 N PHE A 63 -1.569 0.642 -4.258 1.00 0.00 N ATOM 972 CA PHE A 63 -2.627 1.424 -3.663 1.00 0.00 C ATOM 973 C PHE A 63 -2.331 2.839 -4.053 1.00 0.00 C ATOM 974 O PHE A 63 -1.302 3.366 -3.667 1.00 0.00 O ATOM 975 CB PHE A 63 -2.658 1.399 -2.119 1.00 0.00 C ATOM 976 CG PHE A 63 -2.610 0.069 -1.456 1.00 0.00 C ATOM 977 CD1 PHE A 63 -2.687 -1.104 -2.177 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.441 -0.002 -0.103 1.00 0.00 C ATOM 979 CE1 PHE A 63 -2.587 -2.307 -1.579 1.00 0.00 C ATOM 980 CE2 PHE A 63 -2.341 -1.208 0.495 1.00 0.00 C ATOM 981 CZ PHE A 63 -2.406 -2.358 -0.246 1.00 0.00 C ATOM 0 H PHE A 63 -0.630 0.958 -4.013 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.579 1.019 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.816 1.987 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.566 1.906 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.831 -1.057 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.388 0.902 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.651 -3.216 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.209 -1.266 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.311 -3.316 0.244 1.00 0.00 H new ATOM 991 N MET A 64 -3.122 3.419 -4.874 1.00 0.00 N ATOM 992 CA MET A 64 -2.925 4.860 -5.141 1.00 0.00 C ATOM 993 C MET A 64 -3.623 5.679 -4.082 1.00 0.00 C ATOM 994 O MET A 64 -4.817 5.931 -4.190 1.00 0.00 O ATOM 995 CB MET A 64 -3.331 5.279 -6.573 1.00 0.00 C ATOM 996 CG MET A 64 -3.165 6.764 -6.878 1.00 0.00 C ATOM 997 SD MET A 64 -3.097 7.103 -8.636 1.00 0.00 S ATOM 998 CE MET A 64 -2.859 8.876 -8.596 1.00 0.00 C ATOM 0 H MET A 64 -3.892 2.973 -5.373 1.00 0.00 H new ATOM 0 HA MET A 64 -1.855 5.061 -5.086 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.736 4.708 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.373 5.004 -6.735 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.995 7.317 -6.437 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.253 7.128 -6.406 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.795 9.258 -9.615 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.700 9.345 -8.085 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.937 9.107 -8.063 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.862 6.040 -3.048 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.350 6.727 -1.851 1.00 0.00 C ATOM 1010 C LEU A 65 -3.130 8.217 -1.858 1.00 0.00 C ATOM 1011 O LEU A 65 -2.166 8.715 -2.432 1.00 0.00 O ATOM 1012 CB LEU A 65 -2.882 6.094 -0.489 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.380 5.803 -0.201 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.859 4.614 -0.955 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.471 6.999 -0.401 1.00 0.00 C ATOM 0 H LEU A 65 -1.859 5.857 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.426 6.564 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.235 6.753 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.414 5.149 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.357 5.564 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.193 4.462 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.428 3.728 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.963 4.788 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.558 6.715 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.540 7.340 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.776 7.804 0.268 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.044 8.924 -1.255 1.00 0.00 N ATOM 1028 CA ARG A 66 -3.906 10.378 -1.164 1.00 0.00 C ATOM 1029 C ARG A 66 -3.782 10.994 0.260 1.00 0.00 C ATOM 1030 O ARG A 66 -2.834 11.737 0.495 1.00 0.00 O ATOM 1031 CB ARG A 66 -4.777 11.185 -2.175 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.297 11.044 -2.103 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.925 11.881 -0.999 1.00 0.00 C ATOM 1034 NE ARG A 66 -8.394 11.857 -1.078 1.00 0.00 N ATOM 1035 CZ ARG A 66 -9.236 12.372 -0.169 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.773 12.941 0.929 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -10.549 12.319 -0.371 1.00 0.00 N ATOM 0 H ARG A 66 -4.884 8.540 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.888 10.521 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.536 12.241 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.465 10.902 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.728 11.335 -3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.551 9.996 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.605 11.504 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.572 12.909 -1.074 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.809 11.410 -1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.767 12.992 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.421 13.330 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.918 11.886 -1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.188 12.711 0.321 1.00 0.00 H new ATOM 1051 N ASP A 67 -4.724 10.727 1.202 1.00 0.00 N ATOM 1052 CA ASP A 67 -4.611 11.270 2.600 1.00 0.00 C ATOM 1053 C ASP A 67 -3.207 11.097 3.313 1.00 0.00 C ATOM 1054 O ASP A 67 -2.955 11.788 4.288 1.00 0.00 O ATOM 1055 CB ASP A 67 -5.682 10.667 3.511 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.048 11.584 4.654 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -6.889 12.495 4.469 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -5.529 11.399 5.764 1.00 0.00 O ATOM 0 H ASP A 67 -5.552 10.156 1.036 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.749 12.342 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.574 10.449 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.323 9.718 3.910 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.315 10.156 2.859 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.016 9.939 3.510 1.00 0.00 C ATOM 1065 C GLY A 68 -1.083 9.558 4.981 1.00 0.00 C ATOM 1066 O GLY A 68 -0.075 9.537 5.636 1.00 0.00 O ATOM 0 H GLY A 68 -2.487 9.553 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.485 9.154 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.423 10.849 3.414 1.00 0.00 H new ATOM 1070 N SER A 69 -2.249 9.254 5.492 1.00 0.00 N ATOM 1071 CA SER A 69 -2.373 8.948 6.912 1.00 0.00 C ATOM 1072 C SER A 69 -3.107 7.606 7.139 1.00 0.00 C ATOM 1073 O SER A 69 -3.866 7.459 8.106 1.00 0.00 O ATOM 1074 CB SER A 69 -3.157 10.094 7.545 1.00 0.00 C ATOM 1075 OG SER A 69 -2.565 11.342 7.190 1.00 0.00 O ATOM 0 H SER A 69 -3.120 9.209 4.963 1.00 0.00 H new ATOM 0 HA SER A 69 -1.386 8.846 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.194 10.065 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.169 9.983 8.629 1.00 0.00 H new ATOM 0 HG SER A 69 -2.821 11.577 6.274 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.818 6.593 6.307 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.584 5.359 6.353 1.00 0.00 C ATOM 1083 C TYR A 70 -2.948 4.277 5.497 1.00 0.00 C ATOM 1084 O TYR A 70 -3.319 3.126 5.586 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.063 5.616 5.872 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.258 6.087 4.398 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.422 7.031 3.808 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.306 5.601 3.627 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -4.612 7.467 2.521 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.502 6.034 2.318 1.00 0.00 C ATOM 1091 CZ TYR A 70 -5.644 6.971 1.778 1.00 0.00 C ATOM 1092 OH TYR A 70 -5.825 7.431 0.489 1.00 0.00 O ATOM 0 H TYR A 70 -2.073 6.611 5.611 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.593 5.014 7.387 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.629 4.695 6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.507 6.365 6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.599 7.432 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.982 4.873 4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.945 8.203 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.318 5.640 1.730 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.760 7.696 0.365 1.00 0.00 H new ATOM 1102 N ALA A 71 -1.935 4.627 4.751 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.453 3.766 3.712 1.00 0.00 C ATOM 1104 C ALA A 71 -0.541 2.630 4.214 1.00 0.00 C ATOM 1105 O ALA A 71 -0.680 1.455 3.820 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.768 4.603 2.640 1.00 0.00 C ATOM 0 H ALA A 71 -1.428 5.507 4.846 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.319 3.259 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.400 3.950 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.481 5.314 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.069 5.145 3.081 1.00 0.00 H new ATOM 1112 N TRP A 72 0.348 2.922 5.105 1.00 0.00 N ATOM 1113 CA TRP A 72 1.329 1.938 5.442 1.00 0.00 C ATOM 1114 C TRP A 72 0.864 1.109 6.635 1.00 0.00 C ATOM 1115 O TRP A 72 1.367 0.005 6.947 1.00 0.00 O ATOM 1116 CB TRP A 72 2.734 2.582 5.442 1.00 0.00 C ATOM 1117 CG TRP A 72 2.907 3.267 4.075 1.00 0.00 C ATOM 1118 CD1 TRP A 72 2.541 2.723 2.871 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.433 4.581 3.748 1.00 0.00 C ATOM 1120 NE1 TRP A 72 2.727 3.622 1.867 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.289 4.735 2.350 1.00 0.00 C ATOM 1122 CE3 TRP A 72 3.991 5.637 4.464 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.668 5.875 1.667 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 4.379 6.774 3.758 1.00 0.00 C ATOM 1125 CH2 TRP A 72 4.207 6.871 2.350 1.00 0.00 C ATOM 0 H TRP A 72 0.419 3.809 5.603 1.00 0.00 H new ATOM 0 HA TRP A 72 1.442 1.161 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.828 3.305 6.252 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.505 1.828 5.597 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.159 1.722 2.738 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.475 3.470 0.890 1.00 0.00 H new ATOM 0 HE3 TRP A 72 4.119 5.577 5.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.527 5.951 0.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 4.821 7.601 4.293 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.519 7.766 1.833 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.208 1.603 7.211 1.00 0.00 N ATOM 1137 CA GLU A 73 -0.987 0.860 8.147 1.00 0.00 C ATOM 1138 C GLU A 73 -1.697 -0.230 7.300 1.00 0.00 C ATOM 1139 O GLU A 73 -1.783 -1.462 7.700 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.013 1.800 8.791 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.768 1.218 9.968 1.00 0.00 C ATOM 1142 CD GLU A 73 -1.872 0.919 11.143 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -1.399 1.880 11.801 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -1.621 -0.269 11.431 1.00 0.00 O ATOM 0 H GLU A 73 -0.559 2.544 7.034 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.393 0.418 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.499 2.703 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.733 2.102 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.545 1.917 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.269 0.302 9.656 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.136 0.190 6.051 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.716 -0.762 5.149 1.00 0.00 C ATOM 1153 C ILE A 74 -1.644 -1.850 4.897 1.00 0.00 C ATOM 1154 O ILE A 74 -1.928 -3.048 4.831 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.162 -0.252 3.717 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.124 0.927 3.723 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.916 -1.387 3.129 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.205 1.659 2.395 1.00 0.00 C ATOM 0 H ILE A 74 -2.082 1.147 5.703 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.634 -1.081 5.642 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.268 0.073 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.118 0.571 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.817 1.631 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.262 -1.116 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.267 -2.260 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.774 -1.620 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.910 2.486 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.221 2.046 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.542 0.971 1.620 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.386 -1.383 4.800 1.00 0.00 N ATOM 1171 CA LYS A 75 0.761 -2.241 4.566 1.00 0.00 C ATOM 1172 C LYS A 75 0.940 -3.343 5.640 1.00 0.00 C ATOM 1173 O LYS A 75 1.220 -4.560 5.323 1.00 0.00 O ATOM 1174 CB LYS A 75 2.009 -1.379 4.275 1.00 0.00 C ATOM 1175 CG LYS A 75 3.363 -2.103 4.153 1.00 0.00 C ATOM 1176 CD LYS A 75 3.982 -2.458 5.502 1.00 0.00 C ATOM 1177 CE LYS A 75 5.296 -3.192 5.321 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.924 -3.538 6.608 1.00 0.00 N ATOM 0 H LYS A 75 -0.149 -0.394 4.884 1.00 0.00 H new ATOM 0 HA LYS A 75 0.581 -2.832 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.833 -0.836 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.096 -0.635 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.228 -3.015 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.056 -1.471 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.146 -1.549 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.290 -3.079 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.125 -4.102 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.979 -2.572 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.819 -4.038 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.112 -2.669 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.285 -4.152 7.152 1.00 0.00 H new ATOM 1192 N ASP A 76 0.783 -2.972 6.874 1.00 0.00 N ATOM 1193 CA ASP A 76 0.786 -3.988 7.931 1.00 0.00 C ATOM 1194 C ASP A 76 -0.322 -5.026 7.663 1.00 0.00 C ATOM 1195 O ASP A 76 -0.058 -6.244 7.711 1.00 0.00 O ATOM 1196 CB ASP A 76 0.657 -3.357 9.321 1.00 0.00 C ATOM 1197 CG ASP A 76 0.538 -4.380 10.434 1.00 0.00 C ATOM 1198 OD1 ASP A 76 1.524 -5.090 10.723 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -0.534 -4.468 11.058 1.00 0.00 O ATOM 0 H ASP A 76 0.654 -2.010 7.188 1.00 0.00 H new ATOM 0 HA ASP A 76 1.747 -4.503 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.526 -2.726 9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.218 -2.708 9.338 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.531 -4.567 7.268 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.603 -5.572 6.924 1.00 0.00 C ATOM 1206 C PHE A 77 -2.191 -6.444 5.734 1.00 0.00 C ATOM 1207 O PHE A 77 -2.568 -7.582 5.662 1.00 0.00 O ATOM 1208 CB PHE A 77 -3.988 -4.966 6.643 1.00 0.00 C ATOM 1209 CG PHE A 77 -5.052 -5.982 6.297 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -5.416 -6.965 7.202 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.682 -5.954 5.049 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -6.374 -7.900 6.879 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.643 -6.887 4.729 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.987 -7.862 5.642 1.00 0.00 C ATOM 0 H PHE A 77 -1.794 -3.585 7.178 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.700 -6.177 7.826 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.310 -4.404 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.901 -4.254 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.943 -6.999 8.172 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.413 -5.194 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.646 -8.663 7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.127 -6.855 3.764 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.737 -8.597 5.389 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.422 -5.898 4.815 1.00 0.00 N ATOM 1225 CA LEU A 78 -0.921 -6.663 3.653 1.00 0.00 C ATOM 1226 C LEU A 78 -0.248 -7.890 4.105 1.00 0.00 C ATOM 1227 O LEU A 78 -0.638 -9.066 3.763 1.00 0.00 O ATOM 1228 CB LEU A 78 0.177 -5.927 2.959 1.00 0.00 C ATOM 1229 CG LEU A 78 -0.082 -4.568 2.524 1.00 0.00 C ATOM 1230 CD1 LEU A 78 1.198 -3.998 2.016 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -1.116 -4.582 1.508 1.00 0.00 C ATOM 0 H LEU A 78 -1.120 -4.924 4.836 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.787 -6.841 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.038 -5.905 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.467 -6.508 2.084 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.440 -3.945 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.033 -2.974 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.941 -4.004 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.558 -4.599 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.315 -3.563 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.784 -5.181 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.027 -5.013 1.922 1.00 0.00 H new ATOM 1243 N VAL A 79 0.759 -7.652 4.904 1.00 0.00 N ATOM 1244 CA VAL A 79 1.582 -8.731 5.305 1.00 0.00 C ATOM 1245 C VAL A 79 0.898 -9.565 6.376 1.00 0.00 C ATOM 1246 O VAL A 79 1.292 -10.694 6.652 1.00 0.00 O ATOM 1247 CB VAL A 79 2.988 -8.290 5.703 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.941 -9.371 5.302 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.358 -6.988 5.014 1.00 0.00 C ATOM 0 H VAL A 79 1.015 -6.737 5.276 1.00 0.00 H new ATOM 0 HA VAL A 79 1.723 -9.372 4.435 1.00 0.00 H new ATOM 0 HB VAL A 79 3.032 -8.121 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.956 -9.081 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.678 -10.297 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.885 -9.524 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.364 -6.692 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.325 -7.126 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.651 -6.210 5.302 1.00 0.00 H new ATOM 1259 N SER A 80 -0.162 -9.024 6.935 1.00 0.00 N ATOM 1260 CA SER A 80 -0.979 -9.766 7.838 1.00 0.00 C ATOM 1261 C SER A 80 -2.106 -10.449 7.071 1.00 0.00 C ATOM 1262 O SER A 80 -2.849 -11.257 7.650 1.00 0.00 O ATOM 1263 CB SER A 80 -1.562 -8.871 8.927 1.00 0.00 C ATOM 1264 OG SER A 80 -0.540 -8.263 9.701 1.00 0.00 O ATOM 0 H SER A 80 -0.471 -8.066 6.771 1.00 0.00 H new ATOM 0 HA SER A 80 -0.354 -10.518 8.320 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.183 -8.100 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.210 -9.460 9.576 1.00 0.00 H new ATOM 0 HG SER A 80 -0.178 -7.492 9.217 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.262 -10.144 5.758 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.316 -10.781 5.040 1.00 0.00 C ATOM 1272 C GLN A 81 -2.739 -12.076 4.624 1.00 0.00 C ATOM 1273 O GLN A 81 -3.299 -13.143 4.877 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.775 -9.931 3.829 1.00 0.00 C ATOM 1275 CG GLN A 81 -5.165 -10.286 3.265 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.275 -11.668 2.641 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.320 -12.295 2.681 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -4.224 -12.136 2.044 1.00 0.00 N ATOM 0 H GLN A 81 -1.687 -9.491 5.225 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.215 -10.909 5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.777 -8.881 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.039 -10.037 3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.897 -10.208 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.436 -9.543 2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.362 -11.590 2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.258 -13.050 1.593 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.574 -11.988 4.019 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.864 -13.195 3.680 1.00 0.00 C ATOM 1289 C ASP A 82 0.649 -13.014 3.618 1.00 0.00 C ATOM 1290 O ASP A 82 1.284 -12.992 4.669 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.523 -14.057 2.539 1.00 0.00 C ATOM 1292 CG ASP A 82 -0.768 -15.335 2.232 1.00 0.00 C ATOM 1293 OD1 ASP A 82 0.223 -15.306 1.487 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -1.167 -16.397 2.750 1.00 0.00 O ATOM 0 H ASP A 82 -1.111 -11.117 3.759 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.995 -13.856 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.544 -14.308 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.587 -13.456 1.632 1.00 0.00 H new ATOM 1299 N ARG A 83 1.250 -12.812 2.453 1.00 0.00 N ATOM 1300 CA ARG A 83 2.676 -12.701 2.397 1.00 0.00 C ATOM 1301 C ARG A 83 3.110 -11.637 1.434 1.00 0.00 C ATOM 1302 O ARG A 83 3.215 -11.853 0.224 1.00 0.00 O ATOM 1303 CB ARG A 83 3.319 -14.053 2.093 1.00 0.00 C ATOM 1304 CG ARG A 83 3.314 -15.024 3.268 1.00 0.00 C ATOM 1305 CD ARG A 83 3.551 -16.445 2.823 1.00 0.00 C ATOM 1306 NE ARG A 83 2.409 -16.964 2.060 1.00 0.00 N ATOM 1307 CZ ARG A 83 2.259 -18.228 1.653 1.00 0.00 C ATOM 1308 NH1 ARG A 83 3.244 -19.115 1.796 1.00 0.00 N ATOM 1309 NH2 ARG A 83 1.136 -18.592 1.065 1.00 0.00 N ATOM 0 H ARG A 83 0.771 -12.725 1.557 1.00 0.00 H new ATOM 0 HA ARG A 83 3.027 -12.391 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.795 -14.512 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.349 -13.890 1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.085 -14.734 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.358 -14.961 3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.451 -16.491 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.726 -17.076 3.694 1.00 0.00 H new ATOM 0 HE ARG A 83 1.668 -16.305 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.127 -18.832 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.114 -20.076 1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.390 -17.911 0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.013 -19.555 0.751 1.00 0.00 H new ATOM 1323 N CYS A 84 3.276 -10.474 1.980 1.00 0.00 N ATOM 1324 CA CYS A 84 3.776 -9.336 1.279 1.00 0.00 C ATOM 1325 C CYS A 84 5.282 -9.281 1.504 1.00 0.00 C ATOM 1326 O CYS A 84 5.782 -9.903 2.453 1.00 0.00 O ATOM 1327 CB CYS A 84 3.010 -8.080 1.734 1.00 0.00 C ATOM 1328 SG CYS A 84 3.788 -6.481 1.379 1.00 0.00 S ATOM 0 H CYS A 84 3.060 -10.285 2.959 1.00 0.00 H new ATOM 0 HA CYS A 84 3.614 -9.399 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.027 -8.092 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.850 -8.150 2.810 1.00 0.00 H new ATOM 0 HG CYS A 84 3.655 -5.696 2.407 1.00 0.00 H new ATOM 1334 N ALA A 85 6.003 -8.562 0.679 1.00 0.00 N ATOM 1335 CA ALA A 85 7.429 -8.686 0.668 1.00 0.00 C ATOM 1336 C ALA A 85 8.137 -7.405 0.326 1.00 0.00 C ATOM 1337 O ALA A 85 9.290 -7.218 0.705 1.00 0.00 O ATOM 1338 CB ALA A 85 7.797 -9.745 -0.335 1.00 0.00 C ATOM 0 H ALA A 85 5.623 -7.890 0.012 1.00 0.00 H new ATOM 0 HA ALA A 85 7.748 -8.953 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.881 -9.859 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.340 -10.692 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.438 -9.452 -1.322 1.00 0.00 H new ATOM 1344 N GLU A 86 7.490 -6.524 -0.388 1.00 0.00 N ATOM 1345 CA GLU A 86 8.172 -5.329 -0.811 1.00 0.00 C ATOM 1346 C GLU A 86 7.220 -4.197 -0.817 1.00 0.00 C ATOM 1347 O GLU A 86 6.162 -4.289 -1.412 1.00 0.00 O ATOM 1348 CB GLU A 86 8.782 -5.543 -2.198 1.00 0.00 C ATOM 1349 CG GLU A 86 9.471 -4.343 -2.814 1.00 0.00 C ATOM 1350 CD GLU A 86 10.001 -4.656 -4.179 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.099 -5.231 -4.287 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.320 -4.356 -5.173 1.00 0.00 O ATOM 0 H GLU A 86 6.517 -6.605 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 86 8.981 -5.099 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.503 -6.358 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.992 -5.870 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.769 -3.512 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.289 -4.021 -2.170 1.00 0.00 H new ATOM 1359 N VAL A 87 7.560 -3.171 -0.134 1.00 0.00 N ATOM 1360 CA VAL A 87 6.734 -2.041 -0.074 1.00 0.00 C ATOM 1361 C VAL A 87 7.553 -0.776 -0.435 1.00 0.00 C ATOM 1362 O VAL A 87 8.385 -0.284 0.341 1.00 0.00 O ATOM 1363 CB VAL A 87 6.029 -1.976 1.311 1.00 0.00 C ATOM 1364 CG1 VAL A 87 6.984 -1.773 2.488 1.00 0.00 C ATOM 1365 CG2 VAL A 87 4.921 -0.985 1.304 1.00 0.00 C ATOM 0 H VAL A 87 8.426 -3.097 0.400 1.00 0.00 H new ATOM 0 HA VAL A 87 5.935 -2.103 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 87 5.596 -2.963 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.415 -1.739 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.693 -2.600 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.526 -0.836 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.447 -0.962 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.318 0.003 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.184 -1.268 0.552 1.00 0.00 H new ATOM 1375 N THR A 88 7.354 -0.289 -1.633 1.00 0.00 N ATOM 1376 CA THR A 88 8.118 0.819 -2.130 1.00 0.00 C ATOM 1377 C THR A 88 7.330 2.127 -2.037 1.00 0.00 C ATOM 1378 O THR A 88 6.238 2.312 -2.740 1.00 0.00 O ATOM 1379 CB THR A 88 8.562 0.570 -3.573 1.00 0.00 C ATOM 1380 OG1 THR A 88 9.092 -0.758 -3.665 1.00 0.00 O ATOM 1381 CG2 THR A 88 9.662 1.547 -3.961 1.00 0.00 C ATOM 0 H THR A 88 6.660 -0.650 -2.287 1.00 0.00 H new ATOM 0 HA THR A 88 9.005 0.913 -1.503 1.00 0.00 H new ATOM 0 HB THR A 88 7.707 0.700 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.379 -0.933 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.969 1.359 -4.990 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.289 2.568 -3.874 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.517 1.415 -3.297 1.00 0.00 H new ATOM 1389 N LEU A 89 7.804 2.976 -1.092 1.00 0.00 N ATOM 1390 CA LEU A 89 7.294 4.312 -0.838 1.00 0.00 C ATOM 1391 C LEU A 89 8.332 5.377 -0.552 1.00 0.00 C ATOM 1392 O LEU A 89 9.387 5.114 0.001 1.00 0.00 O ATOM 1393 CB LEU A 89 6.194 4.398 0.183 1.00 0.00 C ATOM 1394 CG LEU A 89 6.237 3.496 1.454 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.995 2.061 1.151 1.00 0.00 C ATOM 1396 CD2 LEU A 89 7.553 3.617 2.142 1.00 0.00 C ATOM 0 H LEU A 89 8.577 2.725 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 89 6.865 4.537 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.146 5.433 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.257 4.188 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 89 5.434 3.850 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.037 1.482 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.012 1.946 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.759 1.701 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.561 2.979 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.348 3.307 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.714 4.653 2.440 1.00 0.00 H new