USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 534 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 45 HIS : no HD1:sc=-0.00866 K(o=0.022,f=-1.7) USER MOD Set 1.2: A 46 CYS SG : rot -108:sc= 0.0311 USER MOD Single : A 20 THR OG1 : rot -47:sc= 0.223 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.09) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.392 F(o=-1.4,f=-0.39) USER MOD Single : A 35 CYS SG : rot 180:sc= -2.58 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.04! C(o=-3!,f=-7.7!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -1.53 F(o=-4.2!,f=-1.5) USER MOD Single : A 52 ASN : amide:sc= -0.724 K(o=-0.72,f=-2.9!) USER MOD Single : A 54 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -170:sc= -0.569 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 10.006 0.377 0.777 1.00 0.00 N ATOM 194 CA ARG A 18 8.697 0.927 0.446 1.00 0.00 C ATOM 195 C ARG A 18 8.624 1.307 -1.030 1.00 0.00 C ATOM 196 O ARG A 18 9.531 1.946 -1.561 1.00 0.00 O ATOM 197 CB ARG A 18 8.401 2.151 1.315 1.00 0.00 C ATOM 198 CG ARG A 18 8.479 1.873 2.807 1.00 0.00 C ATOM 199 CD ARG A 18 7.355 0.955 3.262 1.00 0.00 C ATOM 200 NE ARG A 18 6.141 1.698 3.591 1.00 0.00 N ATOM 201 CZ ARG A 18 5.200 1.242 4.410 1.00 0.00 C ATOM 202 NH1 ARG A 18 5.332 0.052 4.980 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.124 1.976 4.661 1.00 0.00 N ATOM 0 HA ARG A 18 7.948 0.160 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.107 2.943 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.405 2.524 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.441 1.418 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.428 2.813 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.136 0.233 2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.681 0.388 4.134 1.00 0.00 H new ATOM 0 HE ARG A 18 6.009 2.617 3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.158 -0.516 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.608 -0.296 5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.018 2.892 4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.402 1.624 5.290 1.00 0.00 H new ATOM 217 N GLU A 19 7.538 0.909 -1.685 1.00 0.00 N ATOM 218 CA GLU A 19 7.348 1.207 -3.100 1.00 0.00 C ATOM 219 C GLU A 19 6.301 2.301 -3.289 1.00 0.00 C ATOM 220 O GLU A 19 5.421 2.487 -2.448 1.00 0.00 O ATOM 221 CB GLU A 19 6.926 -0.054 -3.857 1.00 0.00 C ATOM 222 CG GLU A 19 7.890 -1.216 -3.689 1.00 0.00 C ATOM 223 CD GLU A 19 7.904 -2.141 -4.890 1.00 0.00 C ATOM 224 OE1 GLU A 19 6.834 -2.685 -5.233 1.00 0.00 O ATOM 225 OE2 GLU A 19 8.987 -2.321 -5.487 1.00 0.00 O ATOM 0 H GLU A 19 6.777 0.380 -1.259 1.00 0.00 H new ATOM 0 HA GLU A 19 8.297 1.563 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.938 -0.360 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.836 0.182 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.895 -0.828 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.616 -1.785 -2.800 1.00 0.00 H new ATOM 232 N THR A 20 6.404 3.024 -4.400 1.00 0.00 N ATOM 233 CA THR A 20 5.469 4.101 -4.700 1.00 0.00 C ATOM 234 C THR A 20 4.907 3.964 -6.111 1.00 0.00 C ATOM 235 O THR A 20 5.634 3.640 -7.050 1.00 0.00 O ATOM 236 CB THR A 20 6.137 5.481 -4.557 1.00 0.00 C ATOM 237 OG1 THR A 20 7.072 5.686 -5.622 1.00 0.00 O ATOM 238 CG2 THR A 20 6.850 5.601 -3.219 1.00 0.00 C ATOM 0 H THR A 20 7.126 2.883 -5.107 1.00 0.00 H new ATOM 0 HA THR A 20 4.655 4.023 -3.979 1.00 0.00 H new ATOM 0 HB THR A 20 5.359 6.243 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.630 4.887 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.314 6.584 -3.141 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.130 5.474 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.618 4.831 -3.145 1.00 0.00 H new ATOM 246 N GLY A 21 3.609 4.214 -6.254 1.00 0.00 N ATOM 247 CA GLY A 21 2.973 4.114 -7.554 1.00 0.00 C ATOM 248 C GLY A 21 1.815 5.080 -7.709 1.00 0.00 C ATOM 249 O GLY A 21 1.977 6.288 -7.531 1.00 0.00 O ATOM 0 H GLY A 21 2.987 4.484 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.711 4.309 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.615 3.095 -7.702 1.00 0.00 H new ATOM 253 N VAL A 22 0.644 4.549 -8.044 1.00 0.00 N ATOM 254 CA VAL A 22 -0.546 5.373 -8.223 1.00 0.00 C ATOM 255 C VAL A 22 -1.816 4.545 -8.066 1.00 0.00 C ATOM 256 O VAL A 22 -1.825 3.345 -8.340 1.00 0.00 O ATOM 257 CB VAL A 22 -0.556 6.050 -9.607 1.00 0.00 C ATOM 258 CG1 VAL A 22 -1.044 5.081 -10.672 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.416 7.304 -9.579 1.00 0.00 C ATOM 0 H VAL A 22 0.493 3.552 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.519 6.141 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 22 0.464 6.342 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.044 5.577 -11.643 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.382 4.215 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.056 4.755 -10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.412 7.770 -10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.438 7.039 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.015 8.004 -8.845 1.00 0.00 H new ATOM 269 N ILE A 23 -2.888 5.195 -7.623 1.00 0.00 N ATOM 270 CA ILE A 23 -4.165 4.519 -7.431 1.00 0.00 C ATOM 271 C ILE A 23 -4.893 4.331 -8.758 1.00 0.00 C ATOM 272 O ILE A 23 -5.625 5.213 -9.204 1.00 0.00 O ATOM 273 CB ILE A 23 -5.075 5.299 -6.465 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.422 5.401 -5.084 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.438 4.631 -6.364 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.593 4.156 -4.242 1.00 0.00 C ATOM 0 H ILE A 23 -2.897 6.188 -7.391 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.943 3.543 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.215 6.307 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.358 5.603 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.848 6.251 -4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.069 5.195 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.905 4.606 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.318 3.613 -5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.106 4.299 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.655 3.965 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.142 3.306 -4.754 1.00 0.00 H new ATOM 288 N GLU A 24 -4.687 3.175 -9.381 1.00 0.00 N ATOM 289 CA GLU A 24 -5.325 2.872 -10.657 1.00 0.00 C ATOM 290 C GLU A 24 -6.829 2.679 -10.480 1.00 0.00 C ATOM 291 O GLU A 24 -7.630 3.244 -11.224 1.00 0.00 O ATOM 292 CB GLU A 24 -4.708 1.616 -11.275 1.00 0.00 C ATOM 293 CG GLU A 24 -4.878 1.533 -12.783 1.00 0.00 C ATOM 294 CD GLU A 24 -3.834 0.651 -13.440 1.00 0.00 C ATOM 295 OE1 GLU A 24 -3.367 -0.305 -12.786 1.00 0.00 O ATOM 296 OE2 GLU A 24 -3.483 0.918 -14.609 1.00 0.00 O ATOM 0 H GLU A 24 -4.084 2.434 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.160 3.716 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.645 1.588 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.161 0.736 -10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.871 1.147 -13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.820 2.535 -13.207 1.00 0.00 H new ATOM 303 N LYS A 25 -7.204 1.876 -9.491 1.00 0.00 N ATOM 304 CA LYS A 25 -8.611 1.608 -9.214 1.00 0.00 C ATOM 305 C LYS A 25 -8.894 1.678 -7.717 1.00 0.00 C ATOM 306 O LYS A 25 -8.012 1.423 -6.895 1.00 0.00 O ATOM 307 CB LYS A 25 -9.004 0.231 -9.754 1.00 0.00 C ATOM 308 CG LYS A 25 -10.444 0.154 -10.232 1.00 0.00 C ATOM 309 CD LYS A 25 -11.373 -0.320 -9.128 1.00 0.00 C ATOM 310 CE LYS A 25 -12.830 -0.043 -9.468 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.200 1.375 -9.204 1.00 0.00 N ATOM 0 H LYS A 25 -6.553 1.399 -8.867 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.206 2.372 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.341 -0.029 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.849 -0.514 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.765 1.135 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.510 -0.526 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.233 -1.389 -8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.115 0.180 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.009 -0.276 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.471 -0.701 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.236 1.466 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.809 1.671 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.814 1.980 -9.957 1.00 0.00 H new ATOM 325 N LEU A 26 -10.128 2.024 -7.369 1.00 0.00 N ATOM 326 CA LEU A 26 -10.528 2.127 -5.970 1.00 0.00 C ATOM 327 C LEU A 26 -11.980 1.697 -5.786 1.00 0.00 C ATOM 328 O LEU A 26 -12.846 2.032 -6.597 1.00 0.00 O ATOM 329 CB LEU A 26 -10.341 3.560 -5.469 1.00 0.00 C ATOM 330 CG LEU A 26 -10.174 3.726 -3.958 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.704 3.661 -3.574 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.790 5.038 -3.495 1.00 0.00 C ATOM 0 H LEU A 26 -10.869 2.238 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.894 1.460 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.465 3.984 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.201 4.150 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.695 2.907 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.604 3.781 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.293 2.696 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.160 4.459 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.662 5.140 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.297 5.869 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.853 5.046 -3.737 1.00 0.00 H new ATOM 344 N LEU A 27 -12.242 0.956 -4.715 1.00 0.00 N ATOM 345 CA LEU A 27 -13.590 0.483 -4.422 1.00 0.00 C ATOM 346 C LEU A 27 -13.962 0.761 -2.969 1.00 0.00 C ATOM 347 O LEU A 27 -13.186 1.357 -2.221 1.00 0.00 O ATOM 348 CB LEU A 27 -13.699 -1.016 -4.711 1.00 0.00 C ATOM 349 CG LEU A 27 -13.213 -1.471 -6.087 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.704 -1.664 -6.083 1.00 0.00 C ATOM 351 CD2 LEU A 27 -13.915 -2.756 -6.503 1.00 0.00 C ATOM 0 H LEU A 27 -11.538 0.670 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.286 1.023 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.132 -1.554 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.742 -1.312 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.458 -0.695 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.376 -1.988 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.217 -0.722 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.436 -2.421 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.557 -3.065 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.701 -3.539 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.991 -2.585 -6.547 1.00 0.00 H new ATOM 363 N THR A 28 -15.153 0.323 -2.574 1.00 0.00 N ATOM 364 CA THR A 28 -15.628 0.523 -1.211 1.00 0.00 C ATOM 365 C THR A 28 -14.958 -0.450 -0.247 1.00 0.00 C ATOM 366 O THR A 28 -14.845 -0.176 0.947 1.00 0.00 O ATOM 367 CB THR A 28 -17.156 0.352 -1.117 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.810 1.340 -1.921 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.626 0.472 0.325 1.00 0.00 C ATOM 0 H THR A 28 -15.807 -0.173 -3.180 1.00 0.00 H new ATOM 0 HA THR A 28 -15.367 1.544 -0.932 1.00 0.00 H new ATOM 0 HB THR A 28 -17.412 -0.642 -1.484 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.781 1.223 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.708 0.348 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.149 -0.300 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.358 1.454 0.714 1.00 0.00 H new ATOM 377 N SER A 29 -14.516 -1.587 -0.774 1.00 0.00 N ATOM 378 CA SER A 29 -13.860 -2.603 0.041 1.00 0.00 C ATOM 379 C SER A 29 -12.343 -2.442 -0.008 1.00 0.00 C ATOM 380 O SER A 29 -11.659 -2.587 1.005 1.00 0.00 O ATOM 381 CB SER A 29 -14.252 -4.002 -0.437 1.00 0.00 C ATOM 382 OG SER A 29 -14.227 -4.932 0.632 1.00 0.00 O ATOM 0 H SER A 29 -14.600 -1.828 -1.762 1.00 0.00 H new ATOM 0 HA SER A 29 -14.189 -2.475 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.250 -3.974 -0.875 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.568 -4.326 -1.221 1.00 0.00 H new ATOM 0 HG SER A 29 -14.483 -5.818 0.301 1.00 0.00 H new ATOM 388 N TYR A 30 -11.824 -2.143 -1.194 1.00 0.00 N ATOM 389 CA TYR A 30 -10.389 -1.965 -1.377 1.00 0.00 C ATOM 390 C TYR A 30 -10.090 -1.291 -2.712 1.00 0.00 C ATOM 391 O TYR A 30 -11.000 -0.889 -3.436 1.00 0.00 O ATOM 392 CB TYR A 30 -9.673 -3.315 -1.303 1.00 0.00 C ATOM 393 CG TYR A 30 -10.411 -4.431 -2.008 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.174 -4.178 -3.141 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.345 -5.737 -1.540 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.850 -5.194 -3.788 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.016 -6.760 -2.182 1.00 0.00 C ATOM 398 CZ TYR A 30 -11.768 -6.484 -3.305 1.00 0.00 C ATOM 399 OH TYR A 30 -12.439 -7.499 -3.945 1.00 0.00 O ATOM 0 H TYR A 30 -12.376 -2.019 -2.043 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.023 -1.323 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.680 -3.214 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.535 -3.587 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.240 -3.170 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.759 -5.957 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.440 -4.980 -4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.952 -7.771 -1.807 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.275 -8.345 -3.478 1.00 0.00 H new ATOM 409 N GLY A 31 -8.805 -1.170 -3.033 1.00 0.00 N ATOM 410 CA GLY A 31 -8.406 -0.545 -4.280 1.00 0.00 C ATOM 411 C GLY A 31 -7.099 -1.097 -4.814 1.00 0.00 C ATOM 412 O GLY A 31 -6.369 -1.785 -4.100 1.00 0.00 O ATOM 0 H GLY A 31 -8.033 -1.494 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.189 -0.692 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.308 0.530 -4.129 1.00 0.00 H new ATOM 416 N PHE A 32 -6.803 -0.798 -6.075 1.00 0.00 N ATOM 417 CA PHE A 32 -5.577 -1.271 -6.705 1.00 0.00 C ATOM 418 C PHE A 32 -4.621 -0.113 -6.973 1.00 0.00 C ATOM 419 O PHE A 32 -5.047 0.991 -7.314 1.00 0.00 O ATOM 420 CB PHE A 32 -5.898 -1.996 -8.014 1.00 0.00 C ATOM 421 CG PHE A 32 -6.852 -3.144 -7.845 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.173 -2.917 -7.492 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.429 -4.448 -8.039 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.053 -3.971 -7.336 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.305 -5.507 -7.885 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.619 -5.267 -7.533 1.00 0.00 C ATOM 0 H PHE A 32 -7.396 -0.230 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.092 -1.968 -6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.322 -1.283 -8.721 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.971 -2.366 -8.452 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.518 -1.905 -7.337 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.402 -4.640 -8.314 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.080 -3.781 -7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.962 -6.520 -8.040 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.306 -6.092 -7.412 1.00 0.00 H new ATOM 436 N ILE A 33 -3.327 -0.372 -6.816 1.00 0.00 N ATOM 437 CA ILE A 33 -2.311 0.648 -7.042 1.00 0.00 C ATOM 438 C ILE A 33 -1.343 0.226 -8.142 1.00 0.00 C ATOM 439 O ILE A 33 -0.641 -0.775 -8.013 1.00 0.00 O ATOM 440 CB ILE A 33 -1.514 0.943 -5.758 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.419 1.585 -4.705 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.328 1.844 -6.065 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.005 1.278 -3.283 1.00 0.00 C ATOM 0 H ILE A 33 -2.958 -1.280 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.835 1.552 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.136 0.001 -5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.420 2.665 -4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.442 1.242 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.225 2.043 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.327 1.351 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.685 2.785 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.691 1.766 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.031 0.200 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.994 1.646 -3.111 1.00 0.00 H new ATOM 455 N GLN A 34 -1.312 0.999 -9.223 1.00 0.00 N ATOM 456 CA GLN A 34 -0.429 0.705 -10.346 1.00 0.00 C ATOM 457 C GLN A 34 1.005 1.119 -10.034 1.00 0.00 C ATOM 458 O GLN A 34 1.344 2.303 -10.079 1.00 0.00 O ATOM 459 CB GLN A 34 -0.916 1.422 -11.606 1.00 0.00 C ATOM 460 CG GLN A 34 -0.016 1.211 -12.813 1.00 0.00 C ATOM 461 CD GLN A 34 -0.468 0.056 -13.684 1.00 0.00 C ATOM 462 OE1 GLN A 34 -0.462 -1.147 -13.122 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -0.820 0.242 -14.849 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.887 1.832 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.448 -0.371 -10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.920 1.074 -11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.990 2.490 -11.401 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.006 2.123 -13.409 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.003 1.028 -12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.809 1.184 -15.241 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.123 -0.546 -15.422 1.00 0.00 H new ATOM 472 N CYS A 35 1.843 0.139 -9.716 1.00 0.00 N ATOM 473 CA CYS A 35 3.241 0.402 -9.395 1.00 0.00 C ATOM 474 C CYS A 35 3.954 1.063 -10.570 1.00 0.00 C ATOM 475 O CYS A 35 4.072 0.478 -11.646 1.00 0.00 O ATOM 476 CB CYS A 35 3.952 -0.899 -9.017 1.00 0.00 C ATOM 477 SG CYS A 35 3.300 -1.691 -7.528 1.00 0.00 S ATOM 0 H CYS A 35 1.579 -0.845 -9.674 1.00 0.00 H new ATOM 0 HA CYS A 35 3.271 1.084 -8.546 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.876 -1.598 -9.850 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.012 -0.692 -8.871 1.00 0.00 H new ATOM 0 HG CYS A 35 3.964 -2.783 -7.291 1.00 0.00 H new ATOM 483 N SER A 36 4.427 2.286 -10.356 1.00 0.00 N ATOM 484 CA SER A 36 5.124 3.030 -11.399 1.00 0.00 C ATOM 485 C SER A 36 6.608 2.675 -11.420 1.00 0.00 C ATOM 486 O SER A 36 7.404 3.333 -12.089 1.00 0.00 O ATOM 487 CB SER A 36 4.951 4.535 -11.184 1.00 0.00 C ATOM 488 OG SER A 36 3.614 4.935 -11.431 1.00 0.00 O ATOM 0 H SER A 36 4.340 2.783 -9.470 1.00 0.00 H new ATOM 0 HA SER A 36 4.689 2.755 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.228 4.794 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.625 5.080 -11.845 1.00 0.00 H new ATOM 0 HG SER A 36 3.529 5.900 -11.285 1.00 0.00 H new ATOM 494 N GLU A 37 6.971 1.630 -10.682 1.00 0.00 N ATOM 495 CA GLU A 37 8.359 1.188 -10.616 1.00 0.00 C ATOM 496 C GLU A 37 8.528 -0.174 -11.281 1.00 0.00 C ATOM 497 O GLU A 37 9.493 -0.405 -12.011 1.00 0.00 O ATOM 498 CB GLU A 37 8.826 1.118 -9.160 1.00 0.00 C ATOM 499 CG GLU A 37 8.419 2.326 -8.332 1.00 0.00 C ATOM 500 CD GLU A 37 9.407 2.632 -7.223 1.00 0.00 C ATOM 501 OE1 GLU A 37 10.545 2.120 -7.285 1.00 0.00 O ATOM 502 OE2 GLU A 37 9.044 3.383 -6.295 1.00 0.00 O ATOM 0 H GLU A 37 6.324 1.075 -10.122 1.00 0.00 H new ATOM 0 HA GLU A 37 8.971 1.913 -11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.418 0.218 -8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.912 1.023 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.329 3.195 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.435 2.150 -7.898 1.00 0.00 H new ATOM 509 N ARG A 38 7.584 -1.074 -11.025 1.00 0.00 N ATOM 510 CA ARG A 38 7.629 -2.414 -11.597 1.00 0.00 C ATOM 511 C ARG A 38 6.656 -2.539 -12.766 1.00 0.00 C ATOM 512 O ARG A 38 6.639 -3.551 -13.465 1.00 0.00 O ATOM 513 CB ARG A 38 7.298 -3.459 -10.530 1.00 0.00 C ATOM 514 CG ARG A 38 5.842 -3.444 -10.093 1.00 0.00 C ATOM 515 CD ARG A 38 5.536 -4.585 -9.137 1.00 0.00 C ATOM 516 NE ARG A 38 5.906 -5.882 -9.696 1.00 0.00 N ATOM 517 CZ ARG A 38 7.127 -6.398 -9.610 1.00 0.00 C ATOM 518 NH1 ARG A 38 8.090 -5.730 -8.990 1.00 0.00 N ATOM 519 NH2 ARG A 38 7.387 -7.585 -10.144 1.00 0.00 N ATOM 0 H ARG A 38 6.778 -0.899 -10.425 1.00 0.00 H new ATOM 0 HA ARG A 38 8.639 -2.590 -11.967 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.543 -4.449 -10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.932 -3.290 -9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.616 -2.493 -9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.197 -3.519 -10.969 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.072 -4.427 -8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.472 -4.583 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 38 5.188 -6.421 -10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.894 -4.818 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.027 -6.128 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.649 -8.102 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.325 -7.980 -10.077 1.00 0.00 H new ATOM 533 N GLN A 39 5.848 -1.504 -12.969 1.00 0.00 N ATOM 534 CA GLN A 39 4.871 -1.499 -14.052 1.00 0.00 C ATOM 535 C GLN A 39 3.840 -2.606 -13.860 1.00 0.00 C ATOM 536 O GLN A 39 3.418 -3.248 -14.821 1.00 0.00 O ATOM 537 CB GLN A 39 5.573 -1.669 -15.401 1.00 0.00 C ATOM 538 CG GLN A 39 5.975 -0.353 -16.048 1.00 0.00 C ATOM 539 CD GLN A 39 6.467 -0.528 -17.471 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.688 -0.459 -18.422 1.00 0.00 O ATOM 541 NE2 GLN A 39 7.766 -0.756 -17.624 1.00 0.00 N ATOM 0 H GLN A 39 5.850 -0.658 -12.398 1.00 0.00 H new ATOM 0 HA GLN A 39 4.354 -0.539 -14.037 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.463 -2.283 -15.263 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.913 -2.211 -16.079 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.122 0.325 -16.044 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.758 0.116 -15.452 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.375 -0.805 -16.807 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.155 -0.882 -18.558 1.00 0.00 H new ATOM 550 N ALA A 40 3.438 -2.823 -12.612 1.00 0.00 N ATOM 551 CA ALA A 40 2.455 -3.851 -12.294 1.00 0.00 C ATOM 552 C ALA A 40 1.339 -3.291 -11.417 1.00 0.00 C ATOM 553 O ALA A 40 1.578 -2.439 -10.561 1.00 0.00 O ATOM 554 CB ALA A 40 3.127 -5.030 -11.606 1.00 0.00 C ATOM 0 H ALA A 40 3.778 -2.300 -11.805 1.00 0.00 H new ATOM 0 HA ALA A 40 2.011 -4.195 -13.228 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.381 -5.790 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.883 -5.454 -12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.599 -4.692 -10.683 1.00 0.00 H new ATOM 560 N ARG A 41 0.121 -3.774 -11.638 1.00 0.00 N ATOM 561 CA ARG A 41 -1.032 -3.320 -10.870 1.00 0.00 C ATOM 562 C ARG A 41 -1.166 -4.112 -9.572 1.00 0.00 C ATOM 563 O ARG A 41 -1.490 -5.300 -9.587 1.00 0.00 O ATOM 564 CB ARG A 41 -2.310 -3.458 -11.698 1.00 0.00 C ATOM 565 CG ARG A 41 -2.847 -4.879 -11.758 1.00 0.00 C ATOM 566 CD ARG A 41 -3.609 -5.132 -13.050 1.00 0.00 C ATOM 567 NE ARG A 41 -3.683 -6.555 -13.371 1.00 0.00 N ATOM 568 CZ ARG A 41 -4.592 -7.377 -12.861 1.00 0.00 C ATOM 569 NH1 ARG A 41 -5.500 -6.921 -12.009 1.00 0.00 N ATOM 570 NH2 ARG A 41 -4.595 -8.660 -13.202 1.00 0.00 N ATOM 0 H ARG A 41 -0.093 -4.480 -12.343 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.881 -2.270 -10.621 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.077 -2.806 -11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.115 -3.109 -12.712 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.021 -5.585 -11.677 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.503 -5.058 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.617 -4.727 -12.962 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.123 -4.600 -13.868 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.999 -6.938 -14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.501 -5.936 -11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.197 -7.555 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.898 -9.015 -13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.294 -9.290 -12.809 1.00 0.00 H new ATOM 584 N LEU A 42 -0.914 -3.446 -8.450 1.00 0.00 N ATOM 585 CA LEU A 42 -1.006 -4.087 -7.143 1.00 0.00 C ATOM 586 C LEU A 42 -2.420 -3.976 -6.581 1.00 0.00 C ATOM 587 O LEU A 42 -3.241 -3.208 -7.083 1.00 0.00 O ATOM 588 CB LEU A 42 -0.008 -3.454 -6.172 1.00 0.00 C ATOM 589 CG LEU A 42 1.391 -4.070 -6.152 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.213 -3.492 -5.010 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.306 -5.585 -6.037 1.00 0.00 C ATOM 0 H LEU A 42 -0.644 -2.463 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.765 -5.143 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.086 -2.396 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.423 -3.512 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 42 1.888 -3.825 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.206 -3.942 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.304 -2.413 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.719 -3.706 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.311 -6.006 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.789 -5.851 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.756 -5.984 -6.889 1.00 0.00 H new ATOM 603 N PHE A 43 -2.697 -4.748 -5.535 1.00 0.00 N ATOM 604 CA PHE A 43 -4.012 -4.736 -4.903 1.00 0.00 C ATOM 605 C PHE A 43 -3.898 -4.402 -3.419 1.00 0.00 C ATOM 606 O PHE A 43 -3.507 -5.243 -2.610 1.00 0.00 O ATOM 607 CB PHE A 43 -4.699 -6.091 -5.082 1.00 0.00 C ATOM 608 CG PHE A 43 -5.621 -6.449 -3.951 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.452 -5.494 -3.388 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.657 -7.741 -3.452 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.300 -5.821 -2.347 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.504 -8.074 -2.412 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.327 -7.113 -1.860 1.00 0.00 C ATOM 0 H PHE A 43 -2.029 -5.389 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.613 -3.966 -5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.265 -6.082 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.938 -6.865 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.437 -4.483 -3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.016 -8.497 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.941 -5.067 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.522 -9.085 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.991 -7.371 -1.048 1.00 0.00 H new ATOM 623 N PHE A 44 -4.244 -3.168 -3.068 1.00 0.00 N ATOM 624 CA PHE A 44 -4.180 -2.721 -1.681 1.00 0.00 C ATOM 625 C PHE A 44 -5.556 -2.788 -1.024 1.00 0.00 C ATOM 626 O PHE A 44 -6.567 -2.450 -1.639 1.00 0.00 O ATOM 627 CB PHE A 44 -3.637 -1.292 -1.608 1.00 0.00 C ATOM 628 CG PHE A 44 -4.706 -0.240 -1.687 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.341 0.209 -0.540 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.075 0.301 -2.908 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.326 1.176 -0.610 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.059 1.269 -2.984 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.684 1.708 -1.834 1.00 0.00 C ATOM 0 H PHE A 44 -4.572 -2.460 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.506 -3.387 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.085 -1.169 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.927 -1.139 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.063 -0.201 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.588 -0.037 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.815 1.515 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.339 1.681 -3.942 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.451 2.466 -1.891 1.00 0.00 H new ATOM 643 N HIS A 45 -5.585 -3.228 0.230 1.00 0.00 N ATOM 644 CA HIS A 45 -6.836 -3.341 0.972 1.00 0.00 C ATOM 645 C HIS A 45 -7.105 -2.074 1.778 1.00 0.00 C ATOM 646 O HIS A 45 -6.185 -1.472 2.333 1.00 0.00 O ATOM 647 CB HIS A 45 -6.793 -4.553 1.903 1.00 0.00 C ATOM 648 CG HIS A 45 -8.117 -5.237 2.056 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.286 -4.561 2.333 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.452 -6.545 1.967 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.283 -5.424 2.410 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.804 -6.635 2.191 1.00 0.00 N ATOM 0 H HIS A 45 -4.757 -3.512 0.754 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.646 -3.473 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.065 -5.269 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.442 -4.235 2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.781 -7.365 1.759 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.315 -5.181 2.617 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.349 -7.497 2.189 1.00 0.00 H new ATOM 661 N CYS A 46 -8.370 -1.674 1.837 1.00 0.00 N ATOM 662 CA CYS A 46 -8.761 -0.477 2.574 1.00 0.00 C ATOM 663 C CYS A 46 -8.163 -0.484 3.977 1.00 0.00 C ATOM 664 O CYS A 46 -8.028 0.563 4.610 1.00 0.00 O ATOM 665 CB CYS A 46 -10.285 -0.377 2.655 1.00 0.00 C ATOM 666 SG CYS A 46 -11.035 -1.506 3.852 1.00 0.00 S ATOM 0 H CYS A 46 -9.143 -2.161 1.383 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.376 0.391 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.558 0.646 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.705 -0.578 1.669 1.00 0.00 H new ATOM 0 HG CYS A 46 -11.656 -2.458 3.221 1.00 0.00 H new ATOM 672 N SER A 47 -7.809 -1.671 4.458 1.00 0.00 N ATOM 673 CA SER A 47 -7.231 -1.815 5.789 1.00 0.00 C ATOM 674 C SER A 47 -5.776 -1.358 5.802 1.00 0.00 C ATOM 675 O SER A 47 -5.290 -0.829 6.802 1.00 0.00 O ATOM 676 CB SER A 47 -7.325 -3.270 6.254 1.00 0.00 C ATOM 677 OG SER A 47 -7.016 -3.386 7.632 1.00 0.00 O ATOM 0 H SER A 47 -7.912 -2.547 3.946 1.00 0.00 H new ATOM 0 HA SER A 47 -7.797 -1.184 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.330 -3.650 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.640 -3.886 5.671 1.00 0.00 H new ATOM 0 HG SER A 47 -7.085 -4.325 7.905 1.00 0.00 H new ATOM 683 N GLN A 48 -5.087 -1.566 4.685 1.00 0.00 N ATOM 684 CA GLN A 48 -3.687 -1.176 4.568 1.00 0.00 C ATOM 685 C GLN A 48 -3.518 0.322 4.801 1.00 0.00 C ATOM 686 O GLN A 48 -2.719 0.744 5.638 1.00 0.00 O ATOM 687 CB GLN A 48 -3.144 -1.553 3.189 1.00 0.00 C ATOM 688 CG GLN A 48 -3.435 -2.992 2.793 1.00 0.00 C ATOM 689 CD GLN A 48 -3.009 -3.986 3.855 1.00 0.00 C ATOM 690 OE1 GLN A 48 -2.188 -3.676 4.719 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.567 -5.190 3.797 1.00 0.00 N ATOM 0 H GLN A 48 -5.475 -2.002 3.849 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.122 -1.711 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.575 -0.885 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.066 -1.392 3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.502 -3.104 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.920 -3.220 1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.243 -5.404 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.320 -5.900 4.486 1.00 0.00 H new ATOM 700 N TYR A 49 -4.275 1.121 4.057 1.00 0.00 N ATOM 701 CA TYR A 49 -4.207 2.572 4.180 1.00 0.00 C ATOM 702 C TYR A 49 -4.395 3.004 5.631 1.00 0.00 C ATOM 703 O TYR A 49 -5.394 2.669 6.266 1.00 0.00 O ATOM 704 CB TYR A 49 -5.268 3.230 3.298 1.00 0.00 C ATOM 705 CG TYR A 49 -5.122 4.731 3.192 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.912 5.307 2.826 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.194 5.574 3.457 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.773 6.678 2.729 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.066 6.946 3.361 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.853 7.493 2.997 1.00 0.00 C ATOM 711 OH TYR A 49 -4.719 8.860 2.900 1.00 0.00 O ATOM 0 H TYR A 49 -4.943 0.788 3.362 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.220 2.894 3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.217 2.797 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.255 2.997 3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.065 4.672 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.145 5.149 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.824 7.109 2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.910 7.586 3.570 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.572 9.289 3.120 1.00 0.00 H new ATOM 721 N ASN A 50 -3.426 3.752 6.150 1.00 0.00 N ATOM 722 CA ASN A 50 -3.484 4.232 7.526 1.00 0.00 C ATOM 723 C ASN A 50 -4.458 5.400 7.654 1.00 0.00 C ATOM 724 O ASN A 50 -5.225 5.480 8.613 1.00 0.00 O ATOM 725 CB ASN A 50 -2.093 4.659 7.998 1.00 0.00 C ATOM 726 CG ASN A 50 -1.803 6.117 7.699 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.719 6.452 6.417 1.00 0.00 O flip ATOM 728 ND2 ASN A 50 -1.656 6.932 8.610 1.00 0.00 N flip ATOM 0 H ASN A 50 -2.591 4.039 5.638 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.839 3.416 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.008 4.487 9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.341 4.035 7.515 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.729 6.630 9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.461 7.909 8.393 1.00 0.00 H new ATOM 735 N GLY A 51 -4.421 6.304 6.680 1.00 0.00 N ATOM 736 CA GLY A 51 -5.304 7.455 6.703 1.00 0.00 C ATOM 737 C GLY A 51 -6.761 7.071 6.539 1.00 0.00 C ATOM 738 O GLY A 51 -7.211 6.068 7.091 1.00 0.00 O ATOM 0 H GLY A 51 -3.795 6.260 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.176 7.989 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.021 8.142 5.906 1.00 0.00 H new ATOM 742 N ASN A 52 -7.501 7.873 5.779 1.00 0.00 N ATOM 743 CA ASN A 52 -8.917 7.612 5.546 1.00 0.00 C ATOM 744 C ASN A 52 -9.215 7.526 4.052 1.00 0.00 C ATOM 745 O ASN A 52 -9.134 8.522 3.333 1.00 0.00 O ATOM 746 CB ASN A 52 -9.771 8.709 6.185 1.00 0.00 C ATOM 747 CG ASN A 52 -9.120 10.076 6.092 1.00 0.00 C ATOM 748 OD1 ASN A 52 -8.012 10.283 6.586 1.00 0.00 O ATOM 749 ND2 ASN A 52 -9.809 11.017 5.457 1.00 0.00 N ATOM 0 H ASN A 52 -7.144 8.708 5.315 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.165 6.655 6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.745 8.739 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.948 8.464 7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.423 11.956 5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.724 10.800 5.063 1.00 0.00 H new ATOM 756 N LEU A 53 -9.562 6.328 3.592 1.00 0.00 N ATOM 757 CA LEU A 53 -9.873 6.111 2.184 1.00 0.00 C ATOM 758 C LEU A 53 -10.611 7.310 1.598 1.00 0.00 C ATOM 759 O LEU A 53 -10.403 7.673 0.440 1.00 0.00 O ATOM 760 CB LEU A 53 -10.719 4.847 2.018 1.00 0.00 C ATOM 761 CG LEU A 53 -9.947 3.554 1.753 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.272 3.604 0.391 1.00 0.00 C ATOM 763 CD2 LEU A 53 -8.921 3.310 2.850 1.00 0.00 C ATOM 0 H LEU A 53 -9.635 5.493 4.174 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.934 5.987 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.316 4.712 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.416 5.006 1.195 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.655 2.725 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.728 2.675 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.027 3.730 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.577 4.443 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.381 2.386 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.217 4.142 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.429 3.228 3.811 1.00 0.00 H new ATOM 775 N GLN A 54 -11.471 7.922 2.406 1.00 0.00 N ATOM 776 CA GLN A 54 -12.239 9.082 1.967 1.00 0.00 C ATOM 777 C GLN A 54 -11.343 10.089 1.253 1.00 0.00 C ATOM 778 O GLN A 54 -11.674 10.571 0.170 1.00 0.00 O ATOM 779 CB GLN A 54 -12.924 9.748 3.161 1.00 0.00 C ATOM 780 CG GLN A 54 -14.084 8.942 3.724 1.00 0.00 C ATOM 781 CD GLN A 54 -15.033 8.454 2.647 1.00 0.00 C ATOM 782 OE1 GLN A 54 -15.243 7.252 2.487 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.612 9.388 1.901 1.00 0.00 N ATOM 0 H GLN A 54 -11.654 7.634 3.367 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.000 8.739 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.188 9.909 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.287 10.730 2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.693 8.086 4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.635 9.555 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.409 10.373 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.260 9.120 1.160 1.00 0.00 H new ATOM 792 N ASP A 55 -10.207 10.402 1.867 1.00 0.00 N ATOM 793 CA ASP A 55 -9.262 11.351 1.290 1.00 0.00 C ATOM 794 C ASP A 55 -8.618 10.780 0.031 1.00 0.00 C ATOM 795 O ASP A 55 -8.385 11.499 -0.941 1.00 0.00 O ATOM 796 CB ASP A 55 -8.183 11.714 2.311 1.00 0.00 C ATOM 797 CG ASP A 55 -8.572 12.903 3.167 1.00 0.00 C ATOM 798 OD1 ASP A 55 -9.467 13.668 2.750 1.00 0.00 O ATOM 799 OD2 ASP A 55 -7.981 13.069 4.255 1.00 0.00 O ATOM 0 H ASP A 55 -9.918 10.012 2.764 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.811 12.252 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.991 10.855 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.252 11.935 1.789 1.00 0.00 H new ATOM 804 N LEU A 56 -8.331 9.483 0.057 1.00 0.00 N ATOM 805 CA LEU A 56 -7.712 8.814 -1.083 1.00 0.00 C ATOM 806 C LEU A 56 -8.626 8.857 -2.302 1.00 0.00 C ATOM 807 O LEU A 56 -9.839 9.032 -2.177 1.00 0.00 O ATOM 808 CB LEU A 56 -7.381 7.363 -0.729 1.00 0.00 C ATOM 809 CG LEU A 56 -6.187 6.749 -1.461 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.939 7.591 -1.245 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.955 5.319 -0.997 1.00 0.00 C ATOM 0 H LEU A 56 -8.517 8.874 0.854 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.790 9.342 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.193 7.305 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.260 6.751 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.409 6.732 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.099 7.139 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.109 8.598 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.713 7.641 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.102 4.898 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.755 5.312 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.842 4.721 -1.204 1.00 0.00 H new ATOM 823 N LYS A 57 -8.038 8.694 -3.483 1.00 0.00 N ATOM 824 CA LYS A 57 -8.800 8.710 -4.726 1.00 0.00 C ATOM 825 C LYS A 57 -8.010 8.057 -5.856 1.00 0.00 C ATOM 826 O LYS A 57 -6.802 7.850 -5.744 1.00 0.00 O ATOM 827 CB LYS A 57 -9.162 10.147 -5.108 1.00 0.00 C ATOM 828 CG LYS A 57 -7.995 11.114 -5.012 1.00 0.00 C ATOM 829 CD LYS A 57 -8.385 12.507 -5.478 1.00 0.00 C ATOM 830 CE LYS A 57 -9.058 13.299 -4.367 1.00 0.00 C ATOM 831 NZ LYS A 57 -9.319 14.708 -4.770 1.00 0.00 N ATOM 0 H LYS A 57 -7.036 8.549 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.716 8.140 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.548 10.157 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.966 10.495 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.643 11.159 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.166 10.746 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.497 13.039 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.059 12.431 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.998 12.818 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.427 13.286 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.778 15.214 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.419 15.175 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.942 14.721 -5.603 1.00 0.00 H new ATOM 845 N VAL A 58 -8.701 7.734 -6.945 1.00 0.00 N ATOM 846 CA VAL A 58 -8.064 7.106 -8.096 1.00 0.00 C ATOM 847 C VAL A 58 -7.300 8.131 -8.928 1.00 0.00 C ATOM 848 O VAL A 58 -7.893 9.032 -9.519 1.00 0.00 O ATOM 849 CB VAL A 58 -9.097 6.400 -8.994 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.483 6.049 -10.341 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.639 5.156 -8.305 1.00 0.00 C ATOM 0 H VAL A 58 -9.702 7.897 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.366 6.365 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.929 7.083 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.228 5.551 -10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.148 6.960 -10.837 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.632 5.384 -10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.368 4.669 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.819 4.468 -8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.119 5.439 -7.368 1.00 0.00 H new ATOM 861 N GLY A 59 -5.979 7.985 -8.969 1.00 0.00 N ATOM 862 CA GLY A 59 -5.155 8.905 -9.732 1.00 0.00 C ATOM 863 C GLY A 59 -4.234 9.725 -8.851 1.00 0.00 C ATOM 864 O GLY A 59 -3.774 10.796 -9.248 1.00 0.00 O ATOM 0 H GLY A 59 -5.465 7.247 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.559 8.343 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.797 9.575 -10.304 1.00 0.00 H new ATOM 868 N ASP A 60 -3.965 9.224 -7.650 1.00 0.00 N ATOM 869 CA ASP A 60 -3.093 9.918 -6.710 1.00 0.00 C ATOM 870 C ASP A 60 -1.957 9.009 -6.250 1.00 0.00 C ATOM 871 O ASP A 60 -2.161 7.822 -5.999 1.00 0.00 O ATOM 872 CB ASP A 60 -3.895 10.403 -5.501 1.00 0.00 C ATOM 873 CG ASP A 60 -4.505 11.773 -5.724 1.00 0.00 C ATOM 874 OD1 ASP A 60 -4.023 12.500 -6.618 1.00 0.00 O ATOM 875 OD2 ASP A 60 -5.465 12.119 -5.004 1.00 0.00 O ATOM 0 H ASP A 60 -4.338 8.340 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.662 10.779 -7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.687 9.687 -5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.245 10.436 -4.627 1.00 0.00 H new ATOM 880 N ASP A 61 -0.760 9.576 -6.144 1.00 0.00 N ATOM 881 CA ASP A 61 0.409 8.817 -5.715 1.00 0.00 C ATOM 882 C ASP A 61 0.271 8.384 -4.259 1.00 0.00 C ATOM 883 O ASP A 61 -0.304 9.099 -3.439 1.00 0.00 O ATOM 884 CB ASP A 61 1.679 9.652 -5.893 1.00 0.00 C ATOM 885 CG ASP A 61 2.192 9.627 -7.319 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.743 10.467 -8.126 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.042 8.766 -7.629 1.00 0.00 O ATOM 0 H ASP A 61 -0.574 10.558 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 61 0.480 7.924 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.477 10.682 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.454 9.277 -5.224 1.00 0.00 H new ATOM 892 N VAL A 62 0.803 7.206 -3.944 1.00 0.00 N ATOM 893 CA VAL A 62 0.739 6.677 -2.587 1.00 0.00 C ATOM 894 C VAL A 62 1.879 5.699 -2.325 1.00 0.00 C ATOM 895 O VAL A 62 2.261 4.927 -3.203 1.00 0.00 O ATOM 896 CB VAL A 62 -0.602 5.968 -2.324 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.662 6.971 -1.896 1.00 0.00 C ATOM 898 CG2 VAL A 62 -1.050 5.201 -3.559 1.00 0.00 C ATOM 0 H VAL A 62 1.283 6.601 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 62 0.830 7.527 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.462 5.255 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.603 6.451 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.342 7.471 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.802 7.711 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.999 4.706 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.173 5.893 -4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.299 4.454 -3.816 1.00 0.00 H new ATOM 908 N GLU A 63 2.417 5.739 -1.110 1.00 0.00 N ATOM 909 CA GLU A 63 3.514 4.855 -0.732 1.00 0.00 C ATOM 910 C GLU A 63 2.995 3.633 0.019 1.00 0.00 C ATOM 911 O GLU A 63 2.131 3.746 0.889 1.00 0.00 O ATOM 912 CB GLU A 63 4.528 5.606 0.134 1.00 0.00 C ATOM 913 CG GLU A 63 5.845 4.868 0.308 1.00 0.00 C ATOM 914 CD GLU A 63 6.512 5.172 1.635 1.00 0.00 C ATOM 915 OE1 GLU A 63 5.873 4.954 2.685 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.675 5.627 1.623 1.00 0.00 O ATOM 0 H GLU A 63 2.112 6.373 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 63 4.005 4.517 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.724 6.581 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.091 5.788 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.669 3.795 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.519 5.139 -0.504 1.00 0.00 H new ATOM 923 N PHE A 64 3.527 2.465 -0.325 1.00 0.00 N ATOM 924 CA PHE A 64 3.117 1.220 0.315 1.00 0.00 C ATOM 925 C PHE A 64 4.280 0.235 0.385 1.00 0.00 C ATOM 926 O PHE A 64 5.368 0.507 -0.122 1.00 0.00 O ATOM 927 CB PHE A 64 1.947 0.592 -0.446 1.00 0.00 C ATOM 928 CG PHE A 64 2.152 0.553 -1.934 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.767 1.621 -2.728 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.729 -0.552 -2.538 1.00 0.00 C ATOM 931 CE1 PHE A 64 1.954 1.589 -4.097 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.920 -0.590 -3.907 1.00 0.00 C ATOM 933 CZ PHE A 64 2.531 0.481 -4.687 1.00 0.00 C ATOM 0 H PHE A 64 4.243 2.354 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 64 2.799 1.451 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.790 -0.423 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.038 1.153 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.315 2.489 -2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.033 -1.393 -1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.650 2.429 -4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.373 -1.456 -4.366 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.678 0.453 -5.757 1.00 0.00 H new ATOM 943 N GLU A 65 4.042 -0.909 1.018 1.00 0.00 N ATOM 944 CA GLU A 65 5.070 -1.934 1.156 1.00 0.00 C ATOM 945 C GLU A 65 4.614 -3.250 0.533 1.00 0.00 C ATOM 946 O GLU A 65 3.583 -3.805 0.913 1.00 0.00 O ATOM 947 CB GLU A 65 5.414 -2.148 2.631 1.00 0.00 C ATOM 948 CG GLU A 65 5.985 -3.524 2.930 1.00 0.00 C ATOM 949 CD GLU A 65 7.359 -3.729 2.323 1.00 0.00 C ATOM 950 OE1 GLU A 65 8.201 -2.814 2.435 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.592 -4.807 1.736 1.00 0.00 O ATOM 0 H GLU A 65 3.147 -1.149 1.443 1.00 0.00 H new ATOM 0 HA GLU A 65 5.960 -1.592 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.134 -1.390 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.516 -1.999 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.044 -3.662 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.306 -4.286 2.548 1.00 0.00 H new ATOM 958 N VAL A 66 5.389 -3.744 -0.428 1.00 0.00 N ATOM 959 CA VAL A 66 5.066 -4.994 -1.104 1.00 0.00 C ATOM 960 C VAL A 66 5.334 -6.193 -0.201 1.00 0.00 C ATOM 961 O VAL A 66 6.464 -6.413 0.236 1.00 0.00 O ATOM 962 CB VAL A 66 5.874 -5.154 -2.405 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.595 -6.506 -3.045 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.559 -4.022 -3.371 1.00 0.00 C ATOM 0 H VAL A 66 6.245 -3.297 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 66 4.004 -4.957 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 66 6.935 -5.107 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.175 -6.601 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.877 -7.301 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.533 -6.587 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.139 -4.151 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.496 -4.034 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.816 -3.068 -2.910 1.00 0.00 H new ATOM 974 N SER A 67 4.288 -6.965 0.076 1.00 0.00 N ATOM 975 CA SER A 67 4.410 -8.140 0.931 1.00 0.00 C ATOM 976 C SER A 67 3.840 -9.375 0.240 1.00 0.00 C ATOM 977 O SER A 67 3.308 -9.291 -0.867 1.00 0.00 O ATOM 978 CB SER A 67 3.690 -7.907 2.260 1.00 0.00 C ATOM 979 OG SER A 67 4.565 -7.342 3.221 1.00 0.00 O ATOM 0 H SER A 67 3.347 -6.798 -0.279 1.00 0.00 H new ATOM 0 HA SER A 67 5.469 -8.310 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.838 -7.245 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.295 -8.852 2.634 1.00 0.00 H new ATOM 0 HG SER A 67 4.081 -7.201 4.061 1.00 0.00 H new ATOM 985 N SER A 68 3.954 -10.522 0.903 1.00 0.00 N ATOM 986 CA SER A 68 3.454 -11.776 0.353 1.00 0.00 C ATOM 987 C SER A 68 2.353 -12.356 1.236 1.00 0.00 C ATOM 988 O SER A 68 2.575 -12.651 2.410 1.00 0.00 O ATOM 989 CB SER A 68 4.594 -12.786 0.211 1.00 0.00 C ATOM 990 OG SER A 68 5.685 -12.227 -0.501 1.00 0.00 O ATOM 0 H SER A 68 4.388 -10.608 1.822 1.00 0.00 H new ATOM 0 HA SER A 68 3.035 -11.570 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.926 -13.106 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.234 -13.675 -0.308 1.00 0.00 H new ATOM 0 HG SER A 68 6.401 -12.892 -0.577 1.00 0.00 H new ATOM 996 N ASP A 69 1.166 -12.516 0.662 1.00 0.00 N ATOM 997 CA ASP A 69 0.029 -13.061 1.395 1.00 0.00 C ATOM 998 C ASP A 69 0.351 -14.448 1.943 1.00 0.00 C ATOM 999 O ASP A 69 1.413 -15.005 1.665 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.203 -13.130 0.491 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.497 -13.184 1.279 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.532 -12.638 2.402 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.474 -13.773 0.773 1.00 0.00 O ATOM 0 H ASP A 69 0.966 -12.276 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.183 -12.398 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.217 -12.260 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.133 -14.011 -0.147 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.573 -15.000 2.723 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.387 -16.320 3.312 1.00 0.00 C ATOM 1010 C ARG A 70 -1.364 -17.326 2.711 1.00 0.00 C ATOM 1011 O ARG A 70 -1.227 -18.534 2.908 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.572 -16.257 4.829 1.00 0.00 C ATOM 1013 CG ARG A 70 0.642 -15.720 5.569 1.00 0.00 C ATOM 1014 CD ARG A 70 1.173 -14.451 4.922 1.00 0.00 C ATOM 1015 NE ARG A 70 0.122 -13.456 4.726 1.00 0.00 N ATOM 1016 CZ ARG A 70 -0.300 -12.635 5.681 1.00 0.00 C ATOM 1017 NH1 ARG A 70 0.236 -12.690 6.892 1.00 0.00 N ATOM 1018 NH2 ARG A 70 -1.261 -11.756 5.425 1.00 0.00 N ATOM 0 H ARG A 70 -1.458 -14.553 2.962 1.00 0.00 H new ATOM 0 HA ARG A 70 0.628 -16.648 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.433 -15.628 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.801 -17.256 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.376 -15.517 6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.425 -16.478 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.961 -14.028 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.624 -14.696 3.961 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.312 -13.388 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.975 -13.364 7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.090 -12.058 7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.676 -11.711 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.585 -11.126 6.159 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.350 -16.820 1.977 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.351 -17.674 1.349 1.00 0.00 C ATOM 1034 C ARG A 71 -3.028 -17.896 -0.126 1.00 0.00 C ATOM 1035 O ARG A 71 -3.224 -18.989 -0.658 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.742 -17.053 1.489 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.027 -16.504 2.878 1.00 0.00 C ATOM 1038 CD ARG A 71 -6.497 -16.157 3.048 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.821 -14.852 2.477 1.00 0.00 N ATOM 1040 CZ ARG A 71 -7.086 -14.659 1.189 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -7.066 -15.681 0.345 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.372 -13.442 0.745 1.00 0.00 N ATOM 0 H ARG A 71 -2.477 -15.823 1.803 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.338 -18.639 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.846 -16.248 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.492 -17.804 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.736 -17.240 3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.420 -15.615 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.108 -16.923 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.750 -16.162 4.108 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.845 -14.045 3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.847 -16.618 0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.270 -15.531 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.389 -12.654 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.575 -13.294 -0.244 1.00 0.00 H new ATOM 1056 N THR A 72 -2.531 -16.852 -0.782 1.00 0.00 N ATOM 1057 CA THR A 72 -2.182 -16.932 -2.194 1.00 0.00 C ATOM 1058 C THR A 72 -0.696 -16.671 -2.409 1.00 0.00 C ATOM 1059 O THR A 72 -0.147 -16.984 -3.465 1.00 0.00 O ATOM 1060 CB THR A 72 -2.995 -15.926 -3.032 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.503 -14.599 -2.816 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.471 -15.990 -2.671 1.00 0.00 C ATOM 0 H THR A 72 -2.361 -15.940 -0.357 1.00 0.00 H new ATOM 0 HA THR A 72 -2.421 -17.944 -2.521 1.00 0.00 H new ATOM 0 HB THR A 72 -2.883 -16.188 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.117 -13.952 -3.223 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.025 -15.271 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.849 -16.994 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.598 -15.751 -1.615 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.048 -16.097 -1.400 1.00 0.00 N ATOM 1071 CA GLY A 73 1.370 -15.804 -1.499 1.00 0.00 C ATOM 1072 C GLY A 73 1.679 -14.801 -2.592 1.00 0.00 C ATOM 1073 O GLY A 73 2.826 -14.673 -3.022 1.00 0.00 O ATOM 0 H GLY A 73 -0.480 -15.830 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.726 -15.417 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.916 -16.727 -1.692 1.00 0.00 H new ATOM 1077 N LYS A 74 0.655 -14.087 -3.046 1.00 0.00 N ATOM 1078 CA LYS A 74 0.822 -13.089 -4.096 1.00 0.00 C ATOM 1079 C LYS A 74 1.302 -11.763 -3.516 1.00 0.00 C ATOM 1080 O LYS A 74 1.035 -11.430 -2.361 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.496 -12.882 -4.846 1.00 0.00 C ATOM 1082 CG LYS A 74 -1.140 -14.176 -5.313 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.667 -14.563 -6.705 1.00 0.00 C ATOM 1084 CE LYS A 74 -1.736 -15.337 -7.461 1.00 0.00 C ATOM 1085 NZ LYS A 74 -2.642 -14.433 -8.222 1.00 0.00 N ATOM 0 H LYS A 74 -0.301 -14.181 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 74 1.576 -13.455 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.194 -12.352 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.316 -12.243 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.902 -14.976 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.224 -14.064 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.403 -13.665 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.236 -15.168 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.260 -16.037 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.321 -15.929 -6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.356 -14.999 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.116 -13.782 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.088 -13.886 -8.911 1.00 0.00 H new ATOM 1099 N PRO A 75 2.027 -10.986 -4.334 1.00 0.00 N ATOM 1100 CA PRO A 75 2.559 -9.683 -3.924 1.00 0.00 C ATOM 1101 C PRO A 75 1.461 -8.639 -3.746 1.00 0.00 C ATOM 1102 O PRO A 75 0.947 -8.093 -4.723 1.00 0.00 O ATOM 1103 CB PRO A 75 3.482 -9.296 -5.082 1.00 0.00 C ATOM 1104 CG PRO A 75 2.941 -10.030 -6.260 1.00 0.00 C ATOM 1105 CD PRO A 75 2.384 -11.320 -5.723 1.00 0.00 C ATOM 0 HA PRO A 75 3.063 -9.734 -2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.476 -8.219 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.514 -9.581 -4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.167 -9.449 -6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.723 -10.219 -6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.515 -11.651 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.119 -12.124 -5.767 1.00 0.00 H new ATOM 1113 N ILE A 76 1.107 -8.367 -2.495 1.00 0.00 N ATOM 1114 CA ILE A 76 0.071 -7.388 -2.190 1.00 0.00 C ATOM 1115 C ILE A 76 0.642 -6.209 -1.409 1.00 0.00 C ATOM 1116 O ILE A 76 1.690 -6.321 -0.774 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.078 -8.017 -1.381 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.571 -8.492 -0.018 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.699 -9.172 -2.153 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.628 -8.464 1.064 1.00 0.00 C ATOM 0 H ILE A 76 1.522 -8.811 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.319 -7.034 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.845 -7.260 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.189 -9.508 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.267 -7.865 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.510 -9.606 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.092 -8.806 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.941 -9.932 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.197 -8.814 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.993 -7.445 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.456 -9.114 0.781 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.056 -5.079 -1.460 1.00 0.00 N ATOM 1133 CA ALA A 77 0.379 -3.880 -0.755 1.00 0.00 C ATOM 1134 C ALA A 77 -0.126 -3.877 0.684 1.00 0.00 C ATOM 1135 O ALA A 77 -1.148 -4.488 0.996 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.099 -2.635 -1.486 1.00 0.00 C ATOM 0 H ALA A 77 -0.925 -4.969 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 77 1.469 -3.878 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.233 -1.747 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.314 -2.624 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.188 -2.640 -1.540 1.00 0.00 H new ATOM 1142 N VAL A 78 0.598 -3.185 1.559 1.00 0.00 N ATOM 1143 CA VAL A 78 0.223 -3.101 2.965 1.00 0.00 C ATOM 1144 C VAL A 78 0.708 -1.797 3.587 1.00 0.00 C ATOM 1145 O VAL A 78 1.622 -1.152 3.072 1.00 0.00 O ATOM 1146 CB VAL A 78 0.795 -4.284 3.769 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.196 -5.597 3.288 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.313 -4.312 3.669 1.00 0.00 C ATOM 0 H VAL A 78 1.448 -2.675 1.318 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.866 -3.136 3.005 1.00 0.00 H new ATOM 0 HB VAL A 78 0.525 -4.152 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.612 -6.421 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.886 -5.572 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.432 -5.740 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.700 -5.154 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.607 -4.419 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.721 -3.383 4.068 1.00 0.00 H new ATOM 1158 N LYS A 79 0.091 -1.412 4.699 1.00 0.00 N ATOM 1159 CA LYS A 79 0.459 -0.184 5.394 1.00 0.00 C ATOM 1160 C LYS A 79 0.583 0.979 4.415 1.00 0.00 C ATOM 1161 O LYS A 79 1.566 1.722 4.438 1.00 0.00 O ATOM 1162 CB LYS A 79 1.779 -0.376 6.144 1.00 0.00 C ATOM 1163 CG LYS A 79 1.842 -1.665 6.945 1.00 0.00 C ATOM 1164 CD LYS A 79 0.981 -1.587 8.194 1.00 0.00 C ATOM 1165 CE LYS A 79 -0.436 -2.069 7.925 1.00 0.00 C ATOM 1166 NZ LYS A 79 -1.400 -1.551 8.934 1.00 0.00 N ATOM 0 H LYS A 79 -0.667 -1.934 5.139 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.329 0.050 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.600 -0.363 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.931 0.468 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.510 -2.497 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.875 -1.870 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.428 -2.191 8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.954 -0.559 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.745 -1.749 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.456 -3.159 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.354 -1.902 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.120 -1.877 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.401 -0.511 8.912 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.420 1.133 3.557 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.424 2.208 2.571 1.00 0.00 C ATOM 1182 C LEU A 80 -0.359 3.572 3.251 1.00 0.00 C ATOM 1183 O LEU A 80 -0.838 3.741 4.373 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.677 2.120 1.697 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.461 2.305 0.195 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.321 0.957 -0.494 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.607 3.101 -0.414 1.00 0.00 C ATOM 0 H LEU A 80 -1.240 0.527 3.524 1.00 0.00 H new ATOM 0 HA LEU A 80 0.459 2.094 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.142 1.148 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.387 2.874 2.037 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.537 2.864 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.168 1.109 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.467 0.422 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.227 0.372 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.437 3.223 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.545 2.569 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.661 4.081 0.059 1.00 0.00 H new ATOM 1199 N VAL A 81 0.234 4.543 2.564 1.00 0.00 N ATOM 1200 CA VAL A 81 0.358 5.893 3.100 1.00 0.00 C ATOM 1201 C VAL A 81 0.528 6.915 1.982 1.00 0.00 C ATOM 1202 O VAL A 81 1.462 6.830 1.184 1.00 0.00 O ATOM 1203 CB VAL A 81 1.551 6.005 4.068 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.227 5.334 5.394 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.800 5.399 3.446 1.00 0.00 C ATOM 0 H VAL A 81 0.636 4.420 1.635 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.563 6.103 3.644 1.00 0.00 H new ATOM 0 HB VAL A 81 1.744 7.061 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.081 5.423 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.360 5.817 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.007 4.280 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.633 5.487 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.622 4.347 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.041 5.929 2.524 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.381 7.882 1.929 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.333 8.924 0.909 1.00 0.00 C ATOM 1217 C LYS A 82 0.985 9.689 0.975 1.00 0.00 C ATOM 1218 O LYS A 82 1.407 10.125 2.047 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.506 9.891 1.083 1.00 0.00 C ATOM 1220 CG LYS A 82 -1.958 10.538 -0.215 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.443 10.857 -0.191 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.864 11.644 -1.423 1.00 0.00 C ATOM 1223 NZ LYS A 82 -5.169 12.331 -1.223 1.00 0.00 N ATOM 0 H LYS A 82 -1.161 7.966 2.581 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.407 8.446 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.346 9.354 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.221 10.672 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.391 11.454 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.742 9.871 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.014 9.930 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.679 11.430 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.098 12.382 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.935 10.971 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.421 12.856 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.905 11.625 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.094 12.993 -0.424 1.00 0.00 H new ATOM 1237 N ILE A 83 1.629 9.850 -0.176 1.00 0.00 N ATOM 1238 CA ILE A 83 2.897 10.565 -0.248 1.00 0.00 C ATOM 1239 C ILE A 83 2.701 12.058 -0.002 1.00 0.00 C ATOM 1240 O ILE A 83 3.395 12.658 0.819 1.00 0.00 O ATOM 1241 CB ILE A 83 3.579 10.367 -1.614 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.449 8.911 -2.067 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.042 10.777 -1.541 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.372 8.549 -3.210 1.00 0.00 C ATOM 0 H ILE A 83 1.293 9.495 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 83 3.537 10.151 0.531 1.00 0.00 H new ATOM 0 HB ILE A 83 3.081 11.002 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.657 8.256 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.419 8.724 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.510 10.631 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.112 11.828 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.554 10.167 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.226 7.503 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.149 9.179 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.407 8.704 -2.905 1.00 0.00 H new