USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 492 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0502 K(o=-0.05,f=-0.8) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 27:sc= 0.875 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0723 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00942 USER MOD Single : A 48 SER OG : rot 180:sc= -1.04 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.2 K(o=1.2,f=-4.7!) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.959) USER MOD Single : A 55 SER OG : rot -24:sc= 0.0704 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 76:sc= 0.91 USER MOD Single : A 64 CYS SG : rot 63:sc= 1.28 USER MOD Single : A 68 THR OG1 : rot 76:sc= 0.634 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.068) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.00025) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 2:sc= 0.527 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.367 6.335 0.484 1.00 0.00 N ATOM 201 CA LYS A 27 7.583 7.196 -0.390 1.00 0.00 C ATOM 202 C LYS A 27 6.354 6.460 -0.924 1.00 0.00 C ATOM 203 O LYS A 27 5.265 7.026 -0.984 1.00 0.00 O ATOM 204 CB LYS A 27 8.436 7.732 -1.550 1.00 0.00 C ATOM 205 CG LYS A 27 8.895 6.667 -2.533 1.00 0.00 C ATOM 206 CD LYS A 27 9.662 7.264 -3.702 1.00 0.00 C ATOM 207 CE LYS A 27 10.982 7.879 -3.262 1.00 0.00 C ATOM 208 NZ LYS A 27 11.739 8.443 -4.407 1.00 0.00 N ATOM 0 HA LYS A 27 7.243 8.046 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.862 8.485 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.313 8.233 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.527 5.944 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.029 6.122 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.853 6.489 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.051 8.026 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.791 8.665 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.587 7.121 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.632 8.852 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.944 7.689 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.172 9.184 -4.867 1.00 0.00 H new ATOM 222 N ARG A 28 6.521 5.187 -1.277 1.00 0.00 N ATOM 223 CA ARG A 28 5.425 4.407 -1.842 1.00 0.00 C ATOM 224 C ARG A 28 4.361 4.118 -0.795 1.00 0.00 C ATOM 225 O ARG A 28 3.165 4.186 -1.083 1.00 0.00 O ATOM 226 CB ARG A 28 5.936 3.105 -2.456 1.00 0.00 C ATOM 227 CG ARG A 28 6.716 3.318 -3.741 1.00 0.00 C ATOM 228 CD ARG A 28 7.088 2.000 -4.400 1.00 0.00 C ATOM 229 NE ARG A 28 7.959 1.186 -3.554 1.00 0.00 N ATOM 230 CZ ARG A 28 9.218 0.881 -3.857 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.783 1.366 -4.959 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.917 0.104 -3.044 1.00 0.00 N ATOM 0 H ARG A 28 7.399 4.677 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 28 4.972 5.004 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.572 2.594 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.090 2.448 -2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.121 3.915 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.621 3.886 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.181 1.441 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.587 2.198 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 28 7.578 0.830 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.251 1.977 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.749 1.127 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.490 -0.257 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.883 -0.134 -3.271 1.00 0.00 H new ATOM 246 N VAL A 29 4.792 3.810 0.422 1.00 0.00 N ATOM 247 CA VAL A 29 3.862 3.619 1.523 1.00 0.00 C ATOM 248 C VAL A 29 3.076 4.901 1.757 1.00 0.00 C ATOM 249 O VAL A 29 1.858 4.871 1.909 1.00 0.00 O ATOM 250 CB VAL A 29 4.583 3.199 2.826 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.610 3.132 3.998 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.276 1.857 2.642 1.00 0.00 C ATOM 0 H VAL A 29 5.774 3.688 0.669 1.00 0.00 H new ATOM 0 HA VAL A 29 3.184 2.811 1.248 1.00 0.00 H new ATOM 0 HB VAL A 29 5.334 3.957 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.146 2.834 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.158 4.112 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.830 2.402 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.778 1.577 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.537 1.098 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.010 1.934 1.840 1.00 0.00 H new ATOM 262 N SER A 30 3.775 6.029 1.732 1.00 0.00 N ATOM 263 CA SER A 30 3.141 7.328 1.924 1.00 0.00 C ATOM 264 C SER A 30 2.117 7.613 0.821 1.00 0.00 C ATOM 265 O SER A 30 1.048 8.162 1.090 1.00 0.00 O ATOM 266 CB SER A 30 4.204 8.426 1.965 1.00 0.00 C ATOM 267 OG SER A 30 5.158 8.164 2.984 1.00 0.00 O ATOM 0 H SER A 30 4.783 6.071 1.580 1.00 0.00 H new ATOM 0 HA SER A 30 2.609 7.313 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.705 8.490 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.730 9.391 2.143 1.00 0.00 H new ATOM 0 HG SER A 30 5.831 8.877 2.993 1.00 0.00 H new ATOM 273 N ASN A 31 2.437 7.215 -0.411 1.00 0.00 N ATOM 274 CA ASN A 31 1.519 7.379 -1.537 1.00 0.00 C ATOM 275 C ASN A 31 0.240 6.591 -1.297 1.00 0.00 C ATOM 276 O ASN A 31 -0.851 7.018 -1.668 1.00 0.00 O ATOM 277 CB ASN A 31 2.160 6.897 -2.842 1.00 0.00 C ATOM 278 CG ASN A 31 3.314 7.763 -3.302 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.357 8.962 -3.034 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.250 7.162 -4.017 1.00 0.00 N ATOM 0 H ASN A 31 3.325 6.777 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 31 1.288 8.441 -1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.514 5.875 -2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.400 6.872 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.045 7.696 -4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.177 6.165 -4.217 1.00 0.00 H new ATOM 287 N ALA A 32 0.390 5.430 -0.695 1.00 0.00 N ATOM 288 CA ALA A 32 -0.742 4.576 -0.385 1.00 0.00 C ATOM 289 C ALA A 32 -1.539 5.124 0.782 1.00 0.00 C ATOM 290 O ALA A 32 -2.762 5.182 0.726 1.00 0.00 O ATOM 291 CB ALA A 32 -0.271 3.166 -0.104 1.00 0.00 C ATOM 0 H ALA A 32 1.293 5.052 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.402 4.555 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.129 2.535 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.243 2.772 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.413 3.173 0.745 1.00 0.00 H new ATOM 297 N VAL A 33 -0.844 5.548 1.829 1.00 0.00 N ATOM 298 CA VAL A 33 -1.501 6.069 3.020 1.00 0.00 C ATOM 299 C VAL A 33 -2.319 7.313 2.680 1.00 0.00 C ATOM 300 O VAL A 33 -3.439 7.484 3.164 1.00 0.00 O ATOM 301 CB VAL A 33 -0.476 6.392 4.134 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.166 6.902 5.394 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.360 5.164 4.457 1.00 0.00 C ATOM 0 H VAL A 33 0.175 5.541 1.878 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.172 5.295 3.393 1.00 0.00 H new ATOM 0 HB VAL A 33 0.178 7.182 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.418 7.119 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.722 7.810 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.853 6.141 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.076 5.407 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.292 4.359 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.896 4.844 3.564 1.00 0.00 H new ATOM 313 N GLU A 34 -1.774 8.165 1.820 1.00 0.00 N ATOM 314 CA GLU A 34 -2.482 9.364 1.394 1.00 0.00 C ATOM 315 C GLU A 34 -3.690 9.005 0.521 1.00 0.00 C ATOM 316 O GLU A 34 -4.748 9.624 0.627 1.00 0.00 O ATOM 317 CB GLU A 34 -1.534 10.316 0.648 1.00 0.00 C ATOM 318 CG GLU A 34 -1.082 9.814 -0.712 1.00 0.00 C ATOM 319 CD GLU A 34 -0.118 10.759 -1.394 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.377 11.147 -2.554 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.903 11.122 -0.775 1.00 0.00 O ATOM 0 H GLU A 34 -0.849 8.048 1.406 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.850 9.875 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.031 11.277 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.654 10.492 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.607 8.840 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.954 9.669 -1.349 1.00 0.00 H new ATOM 328 N PHE A 35 -3.531 7.999 -0.333 1.00 0.00 N ATOM 329 CA PHE A 35 -4.607 7.576 -1.225 1.00 0.00 C ATOM 330 C PHE A 35 -5.704 6.854 -0.451 1.00 0.00 C ATOM 331 O PHE A 35 -6.887 7.113 -0.648 1.00 0.00 O ATOM 332 CB PHE A 35 -4.052 6.665 -2.327 1.00 0.00 C ATOM 333 CG PHE A 35 -5.092 6.149 -3.283 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.630 6.975 -4.257 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.527 4.834 -3.210 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.581 6.501 -5.140 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.477 4.354 -4.091 1.00 0.00 C ATOM 338 CZ PHE A 35 -7.005 5.188 -5.057 1.00 0.00 C ATOM 0 H PHE A 35 -2.669 7.462 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.040 8.465 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.297 7.214 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.549 5.817 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.302 8.002 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.118 4.178 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.993 7.155 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.806 3.328 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.748 4.815 -5.746 1.00 0.00 H new ATOM 348 N LEU A 36 -5.300 5.979 0.457 1.00 0.00 N ATOM 349 CA LEU A 36 -6.236 5.186 1.239 1.00 0.00 C ATOM 350 C LEU A 36 -7.064 6.058 2.176 1.00 0.00 C ATOM 351 O LEU A 36 -8.217 5.746 2.470 1.00 0.00 O ATOM 352 CB LEU A 36 -5.484 4.116 2.029 1.00 0.00 C ATOM 353 CG LEU A 36 -4.860 3.001 1.192 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.047 2.070 2.075 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.934 2.227 0.448 1.00 0.00 C ATOM 0 H LEU A 36 -4.319 5.799 0.672 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.925 4.701 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.695 4.600 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.172 3.668 2.746 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.193 3.452 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.608 1.280 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.253 2.634 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.696 1.627 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.470 1.437 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.626 1.785 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.478 2.902 -0.213 1.00 0.00 H new ATOM 367 N LEU A 37 -6.478 7.154 2.639 1.00 0.00 N ATOM 368 CA LEU A 37 -7.155 8.038 3.580 1.00 0.00 C ATOM 369 C LEU A 37 -8.028 9.062 2.869 1.00 0.00 C ATOM 370 O LEU A 37 -8.618 9.932 3.508 1.00 0.00 O ATOM 371 CB LEU A 37 -6.140 8.767 4.460 1.00 0.00 C ATOM 372 CG LEU A 37 -5.810 8.074 5.779 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.713 8.827 6.516 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.062 7.971 6.637 1.00 0.00 C ATOM 0 H LEU A 37 -5.538 7.452 2.380 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.796 7.411 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.217 8.895 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.521 9.765 4.677 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.447 7.068 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.490 8.319 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.815 8.859 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.046 9.844 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.819 7.475 7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.446 8.970 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.820 7.393 6.107 1.00 0.00 H new ATOM 386 N ASP A 38 -8.127 8.954 1.557 1.00 0.00 N ATOM 387 CA ASP A 38 -8.936 9.888 0.795 1.00 0.00 C ATOM 388 C ASP A 38 -10.412 9.571 0.972 1.00 0.00 C ATOM 389 O ASP A 38 -10.806 8.406 0.956 1.00 0.00 O ATOM 390 CB ASP A 38 -8.572 9.842 -0.686 1.00 0.00 C ATOM 391 CG ASP A 38 -9.242 10.943 -1.483 1.00 0.00 C ATOM 392 OD1 ASP A 38 -8.559 11.921 -1.850 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.455 10.841 -1.751 1.00 0.00 O ATOM 0 H ASP A 38 -7.662 8.236 1.001 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.737 10.892 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.491 9.926 -0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.859 8.874 -1.097 1.00 0.00 H new ATOM 398 N SER A 39 -11.221 10.614 1.133 1.00 0.00 N ATOM 399 CA SER A 39 -12.657 10.465 1.354 1.00 0.00 C ATOM 400 C SER A 39 -13.305 9.610 0.260 1.00 0.00 C ATOM 401 O SER A 39 -14.191 8.800 0.533 1.00 0.00 O ATOM 402 CB SER A 39 -13.315 11.847 1.404 1.00 0.00 C ATOM 403 OG SER A 39 -14.676 11.766 1.795 1.00 0.00 O ATOM 0 H SER A 39 -10.902 11.583 1.114 1.00 0.00 H new ATOM 0 HA SER A 39 -12.806 9.955 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.773 12.483 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.245 12.319 0.424 1.00 0.00 H new ATOM 0 HG SER A 39 -15.064 12.666 1.818 1.00 0.00 H new ATOM 409 N ARG A 40 -12.839 9.778 -0.969 1.00 0.00 N ATOM 410 CA ARG A 40 -13.373 9.036 -2.107 1.00 0.00 C ATOM 411 C ARG A 40 -13.010 7.561 -1.997 1.00 0.00 C ATOM 412 O ARG A 40 -13.853 6.680 -2.158 1.00 0.00 O ATOM 413 CB ARG A 40 -12.814 9.596 -3.414 1.00 0.00 C ATOM 414 CG ARG A 40 -13.194 11.041 -3.683 1.00 0.00 C ATOM 415 CD ARG A 40 -12.281 11.656 -4.732 1.00 0.00 C ATOM 416 NE ARG A 40 -10.895 11.697 -4.267 1.00 0.00 N ATOM 417 CZ ARG A 40 -9.833 11.797 -5.066 1.00 0.00 C ATOM 418 NH1 ARG A 40 -9.985 11.824 -6.383 1.00 0.00 N ATOM 419 NH2 ARG A 40 -8.615 11.858 -4.540 1.00 0.00 N ATOM 0 H ARG A 40 -12.087 10.425 -1.207 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.458 9.141 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.727 9.515 -3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.166 8.979 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.229 11.092 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.132 11.616 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.341 11.078 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.619 12.666 -4.966 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.730 11.646 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.919 11.768 -6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.168 11.901 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.495 11.828 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.800 11.935 -5.148 1.00 0.00 H new ATOM 433 N VAL A 41 -11.745 7.313 -1.689 1.00 0.00 N ATOM 434 CA VAL A 41 -11.201 5.962 -1.669 1.00 0.00 C ATOM 435 C VAL A 41 -11.739 5.168 -0.483 1.00 0.00 C ATOM 436 O VAL A 41 -11.886 3.945 -0.546 1.00 0.00 O ATOM 437 CB VAL A 41 -9.662 6.000 -1.624 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.071 4.598 -1.608 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.133 6.792 -2.808 1.00 0.00 C ATOM 0 H VAL A 41 -11.070 8.038 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.517 5.463 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.358 6.492 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.983 4.662 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.429 4.062 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.377 4.064 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.044 6.816 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.455 6.319 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.520 7.810 -2.767 1.00 0.00 H new ATOM 449 N ARG A 42 -12.052 5.869 0.591 1.00 0.00 N ATOM 450 CA ARG A 42 -12.629 5.232 1.767 1.00 0.00 C ATOM 451 C ARG A 42 -14.013 4.663 1.464 1.00 0.00 C ATOM 452 O ARG A 42 -14.482 3.755 2.150 1.00 0.00 O ATOM 453 CB ARG A 42 -12.702 6.218 2.930 1.00 0.00 C ATOM 454 CG ARG A 42 -11.338 6.691 3.403 1.00 0.00 C ATOM 455 CD ARG A 42 -11.447 7.524 4.666 1.00 0.00 C ATOM 456 NE ARG A 42 -11.983 6.737 5.777 1.00 0.00 N ATOM 457 CZ ARG A 42 -12.227 7.216 6.995 1.00 0.00 C ATOM 458 NH1 ARG A 42 -11.960 8.484 7.285 1.00 0.00 N ATOM 459 NH2 ARG A 42 -12.731 6.418 7.928 1.00 0.00 N ATOM 0 H ARG A 42 -11.918 6.877 0.676 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.979 4.404 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.294 7.082 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.225 5.749 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.697 5.829 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.863 7.279 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.465 7.913 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.091 8.384 4.483 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.184 5.752 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.565 9.098 6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.150 8.844 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.930 5.441 7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.919 6.781 8.862 1.00 0.00 H new ATOM 473 N ARG A 43 -14.659 5.183 0.426 1.00 0.00 N ATOM 474 CA ARG A 43 -15.996 4.728 0.061 1.00 0.00 C ATOM 475 C ARG A 43 -15.945 3.567 -0.930 1.00 0.00 C ATOM 476 O ARG A 43 -16.935 2.859 -1.114 1.00 0.00 O ATOM 477 CB ARG A 43 -16.817 5.878 -0.519 1.00 0.00 C ATOM 478 CG ARG A 43 -17.055 7.004 0.471 1.00 0.00 C ATOM 479 CD ARG A 43 -17.956 8.079 -0.110 1.00 0.00 C ATOM 480 NE ARG A 43 -17.400 8.664 -1.330 1.00 0.00 N ATOM 481 CZ ARG A 43 -17.192 9.968 -1.506 1.00 0.00 C ATOM 482 NH1 ARG A 43 -17.432 10.824 -0.517 1.00 0.00 N ATOM 483 NH2 ARG A 43 -16.726 10.412 -2.667 1.00 0.00 N ATOM 0 H ARG A 43 -14.281 5.916 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.478 4.372 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.304 6.276 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.778 5.493 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.506 6.602 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.100 7.445 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.935 7.652 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.108 8.864 0.631 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.156 8.034 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.777 10.483 0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.271 11.822 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.528 9.755 -3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.566 11.410 -2.804 1.00 0.00 H new ATOM 497 N THR A 44 -14.800 3.374 -1.571 1.00 0.00 N ATOM 498 CA THR A 44 -14.628 2.258 -2.490 1.00 0.00 C ATOM 499 C THR A 44 -14.250 0.985 -1.736 1.00 0.00 C ATOM 500 O THR A 44 -13.782 1.053 -0.597 1.00 0.00 O ATOM 501 CB THR A 44 -13.560 2.567 -3.558 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.468 3.293 -2.985 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.152 3.357 -4.714 1.00 0.00 C ATOM 0 H THR A 44 -13.980 3.973 -1.472 1.00 0.00 H new ATOM 0 HA THR A 44 -15.583 2.103 -2.992 1.00 0.00 H new ATOM 0 HB THR A 44 -13.192 1.615 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.401 3.083 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.375 3.560 -5.451 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.951 2.779 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.555 4.299 -4.342 1.00 0.00 H new ATOM 511 N PRO A 45 -14.469 -0.192 -2.346 1.00 0.00 N ATOM 512 CA PRO A 45 -14.100 -1.478 -1.742 1.00 0.00 C ATOM 513 C PRO A 45 -12.591 -1.634 -1.576 1.00 0.00 C ATOM 514 O PRO A 45 -11.805 -0.963 -2.250 1.00 0.00 O ATOM 515 CB PRO A 45 -14.634 -2.513 -2.737 1.00 0.00 C ATOM 516 CG PRO A 45 -14.745 -1.780 -4.026 1.00 0.00 C ATOM 517 CD PRO A 45 -15.112 -0.371 -3.660 1.00 0.00 C ATOM 0 HA PRO A 45 -14.510 -1.582 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.958 -3.364 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.601 -2.904 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.804 -1.810 -4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.504 -2.228 -4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.741 0.346 -4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.192 -0.237 -3.602 1.00 0.00 H new ATOM 525 N THR A 46 -12.199 -2.533 -0.685 1.00 0.00 N ATOM 526 CA THR A 46 -10.796 -2.766 -0.376 1.00 0.00 C ATOM 527 C THR A 46 -10.033 -3.251 -1.605 1.00 0.00 C ATOM 528 O THR A 46 -8.899 -2.841 -1.845 1.00 0.00 O ATOM 529 CB THR A 46 -10.668 -3.821 0.732 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.803 -3.737 1.604 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.397 -3.616 1.542 1.00 0.00 C ATOM 0 H THR A 46 -12.844 -3.121 -0.157 1.00 0.00 H new ATOM 0 HA THR A 46 -10.370 -1.819 -0.044 1.00 0.00 H new ATOM 0 HB THR A 46 -10.624 -4.804 0.264 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.723 -4.411 2.311 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.334 -4.378 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.530 -3.695 0.885 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.415 -2.628 2.003 1.00 0.00 H new ATOM 539 N SER A 47 -10.676 -4.114 -2.383 1.00 0.00 N ATOM 540 CA SER A 47 -10.056 -4.712 -3.557 1.00 0.00 C ATOM 541 C SER A 47 -9.596 -3.643 -4.546 1.00 0.00 C ATOM 542 O SER A 47 -8.507 -3.738 -5.117 1.00 0.00 O ATOM 543 CB SER A 47 -11.049 -5.662 -4.220 1.00 0.00 C ATOM 544 OG SER A 47 -11.664 -6.489 -3.248 1.00 0.00 O ATOM 0 H SER A 47 -11.636 -4.417 -2.218 1.00 0.00 H new ATOM 0 HA SER A 47 -9.173 -5.268 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.808 -5.090 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.536 -6.278 -4.959 1.00 0.00 H new ATOM 0 HG SER A 47 -12.300 -7.092 -3.687 1.00 0.00 H new ATOM 550 N SER A 48 -10.421 -2.619 -4.727 1.00 0.00 N ATOM 551 CA SER A 48 -10.091 -1.511 -5.598 1.00 0.00 C ATOM 552 C SER A 48 -8.863 -0.771 -5.087 1.00 0.00 C ATOM 553 O SER A 48 -7.935 -0.486 -5.846 1.00 0.00 O ATOM 554 CB SER A 48 -11.279 -0.566 -5.673 1.00 0.00 C ATOM 555 OG SER A 48 -12.417 -1.217 -6.212 1.00 0.00 O ATOM 0 H SER A 48 -11.331 -2.538 -4.274 1.00 0.00 H new ATOM 0 HA SER A 48 -9.864 -1.895 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.510 -0.188 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.023 0.296 -6.289 1.00 0.00 H new ATOM 0 HG SER A 48 -13.167 -0.588 -6.248 1.00 0.00 H new ATOM 561 N LYS A 49 -8.862 -0.491 -3.789 1.00 0.00 N ATOM 562 CA LYS A 49 -7.758 0.211 -3.148 1.00 0.00 C ATOM 563 C LYS A 49 -6.452 -0.540 -3.373 1.00 0.00 C ATOM 564 O LYS A 49 -5.450 0.037 -3.794 1.00 0.00 O ATOM 565 CB LYS A 49 -8.002 0.323 -1.641 1.00 0.00 C ATOM 566 CG LYS A 49 -9.373 0.854 -1.259 1.00 0.00 C ATOM 567 CD LYS A 49 -9.558 0.844 0.251 1.00 0.00 C ATOM 568 CE LYS A 49 -11.005 1.093 0.637 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.211 1.051 2.110 1.00 0.00 N ATOM 0 H LYS A 49 -9.621 -0.742 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.692 1.207 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.870 -0.661 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.242 0.975 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.492 1.869 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.147 0.246 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.234 -0.116 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.924 1.608 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.318 2.065 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.640 0.345 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.213 1.226 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.937 0.115 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.626 1.782 2.563 1.00 0.00 H new ATOM 583 N VAL A 50 -6.489 -1.841 -3.110 1.00 0.00 N ATOM 584 CA VAL A 50 -5.295 -2.678 -3.197 1.00 0.00 C ATOM 585 C VAL A 50 -4.767 -2.743 -4.629 1.00 0.00 C ATOM 586 O VAL A 50 -3.564 -2.607 -4.866 1.00 0.00 O ATOM 587 CB VAL A 50 -5.568 -4.112 -2.689 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.325 -4.978 -2.814 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.051 -4.089 -1.249 1.00 0.00 C ATOM 0 H VAL A 50 -7.334 -2.341 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.542 -2.216 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.352 -4.544 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.543 -5.982 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.021 -5.029 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.519 -4.545 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.237 -5.109 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.290 -3.631 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.973 -3.511 -1.184 1.00 0.00 H new ATOM 599 N HIS A 51 -5.670 -2.938 -5.580 1.00 0.00 N ATOM 600 CA HIS A 51 -5.287 -3.055 -6.984 1.00 0.00 C ATOM 601 C HIS A 51 -4.690 -1.751 -7.498 1.00 0.00 C ATOM 602 O HIS A 51 -3.722 -1.761 -8.258 1.00 0.00 O ATOM 603 CB HIS A 51 -6.482 -3.466 -7.848 1.00 0.00 C ATOM 604 CG HIS A 51 -6.857 -4.911 -7.714 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.545 -5.602 -8.686 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.640 -5.797 -6.712 1.00 0.00 C ATOM 607 CE1 HIS A 51 -7.733 -6.846 -8.290 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.194 -6.991 -7.097 1.00 0.00 N ATOM 0 H HIS A 51 -6.672 -3.019 -5.407 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.528 -3.834 -7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.341 -2.851 -7.580 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.253 -3.255 -8.893 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.126 -5.600 -5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.243 -7.616 -8.850 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.189 -7.851 -6.549 1.00 0.00 H new ATOM 617 N PHE A 52 -5.260 -0.631 -7.069 1.00 0.00 N ATOM 618 CA PHE A 52 -4.766 0.676 -7.475 1.00 0.00 C ATOM 619 C PHE A 52 -3.349 0.892 -6.951 1.00 0.00 C ATOM 620 O PHE A 52 -2.480 1.382 -7.674 1.00 0.00 O ATOM 621 CB PHE A 52 -5.689 1.786 -6.961 1.00 0.00 C ATOM 622 CG PHE A 52 -5.337 3.156 -7.476 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.376 3.929 -6.843 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.973 3.671 -8.595 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.056 5.188 -7.315 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.656 4.930 -9.071 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.697 5.688 -8.431 1.00 0.00 C ATOM 0 H PHE A 52 -6.063 -0.603 -6.441 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.751 0.713 -8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.715 1.554 -7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.656 1.798 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.871 3.543 -5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.724 3.082 -9.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.306 5.780 -6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.159 5.320 -9.944 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.448 6.671 -8.803 1.00 0.00 H new ATOM 637 N LEU A 53 -3.122 0.510 -5.699 1.00 0.00 N ATOM 638 CA LEU A 53 -1.816 0.670 -5.070 1.00 0.00 C ATOM 639 C LEU A 53 -0.775 -0.209 -5.751 1.00 0.00 C ATOM 640 O LEU A 53 0.375 0.190 -5.926 1.00 0.00 O ATOM 641 CB LEU A 53 -1.892 0.341 -3.581 1.00 0.00 C ATOM 642 CG LEU A 53 -2.837 1.230 -2.772 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.831 0.817 -1.310 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.456 2.694 -2.918 1.00 0.00 C ATOM 0 H LEU A 53 -3.828 0.086 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.514 1.711 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.208 -0.696 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.891 0.418 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.847 1.103 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.509 1.459 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.158 -0.219 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.822 0.914 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.141 3.308 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.438 2.843 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.515 2.982 -3.968 1.00 0.00 H new ATOM 656 N LYS A 54 -1.186 -1.408 -6.142 1.00 0.00 N ATOM 657 CA LYS A 54 -0.318 -2.295 -6.902 1.00 0.00 C ATOM 658 C LYS A 54 0.072 -1.638 -8.223 1.00 0.00 C ATOM 659 O LYS A 54 1.234 -1.677 -8.632 1.00 0.00 O ATOM 660 CB LYS A 54 -1.014 -3.639 -7.152 1.00 0.00 C ATOM 661 CG LYS A 54 -0.310 -4.537 -8.166 1.00 0.00 C ATOM 662 CD LYS A 54 1.146 -4.794 -7.804 1.00 0.00 C ATOM 663 CE LYS A 54 1.284 -5.577 -6.512 1.00 0.00 C ATOM 664 NZ LYS A 54 2.709 -5.801 -6.160 1.00 0.00 N ATOM 0 H LYS A 54 -2.112 -1.787 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 54 0.588 -2.482 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.094 -4.174 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.030 -3.449 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.838 -5.488 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.360 -4.075 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.629 -5.342 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.669 -3.842 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.789 -5.038 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.778 -6.537 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.771 -6.503 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.222 -6.152 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.133 -4.906 -5.844 1.00 0.00 H new ATOM 678 N SER A 55 -0.896 -1.003 -8.868 1.00 0.00 N ATOM 679 CA SER A 55 -0.661 -0.316 -10.130 1.00 0.00 C ATOM 680 C SER A 55 0.202 0.932 -9.913 1.00 0.00 C ATOM 681 O SER A 55 0.721 1.514 -10.863 1.00 0.00 O ATOM 682 CB SER A 55 -1.999 0.052 -10.780 1.00 0.00 C ATOM 683 OG SER A 55 -1.824 0.518 -12.111 1.00 0.00 O ATOM 0 H SER A 55 -1.859 -0.949 -8.535 1.00 0.00 H new ATOM 0 HA SER A 55 -0.120 -0.984 -10.800 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.655 -0.819 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.493 0.821 -10.187 1.00 0.00 H new ATOM 0 HG SER A 55 -0.913 0.863 -12.220 1.00 0.00 H new ATOM 689 N LYS A 56 0.348 1.338 -8.656 1.00 0.00 N ATOM 690 CA LYS A 56 1.217 2.450 -8.301 1.00 0.00 C ATOM 691 C LYS A 56 2.654 1.970 -8.110 1.00 0.00 C ATOM 692 O LYS A 56 3.556 2.766 -7.853 1.00 0.00 O ATOM 693 CB LYS A 56 0.718 3.123 -7.020 1.00 0.00 C ATOM 694 CG LYS A 56 -0.524 3.989 -7.202 1.00 0.00 C ATOM 695 CD LYS A 56 -0.184 5.436 -7.555 1.00 0.00 C ATOM 696 CE LYS A 56 0.563 5.553 -8.875 1.00 0.00 C ATOM 697 NZ LYS A 56 0.752 6.968 -9.289 1.00 0.00 N ATOM 0 H LYS A 56 -0.129 0.909 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 56 1.197 3.174 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.502 2.352 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.519 3.740 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.147 3.564 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.113 3.971 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.103 6.019 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.422 5.868 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.536 5.070 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.013 5.020 -9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.265 7.000 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.176 7.424 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.299 7.472 -8.562 1.00 0.00 H new ATOM 711 N GLY A 57 2.854 0.662 -8.230 1.00 0.00 N ATOM 712 CA GLY A 57 4.183 0.097 -8.106 1.00 0.00 C ATOM 713 C GLY A 57 4.486 -0.377 -6.700 1.00 0.00 C ATOM 714 O GLY A 57 5.648 -0.581 -6.345 1.00 0.00 O ATOM 0 H GLY A 57 2.116 -0.018 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.284 -0.740 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.920 0.844 -8.400 1.00 0.00 H new ATOM 718 N LEU A 58 3.446 -0.552 -5.897 1.00 0.00 N ATOM 719 CA LEU A 58 3.619 -1.003 -4.522 1.00 0.00 C ATOM 720 C LEU A 58 3.622 -2.519 -4.418 1.00 0.00 C ATOM 721 O LEU A 58 3.018 -3.220 -5.233 1.00 0.00 O ATOM 722 CB LEU A 58 2.523 -0.451 -3.616 1.00 0.00 C ATOM 723 CG LEU A 58 2.827 0.899 -2.972 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.624 2.034 -3.961 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.969 1.092 -1.737 1.00 0.00 C ATOM 0 H LEU A 58 2.477 -0.390 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 58 4.588 -0.625 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.606 -0.359 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.328 -1.176 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 58 3.874 0.911 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.848 2.984 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.289 1.897 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.590 2.037 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.194 2.058 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.916 1.058 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.180 0.298 -1.020 1.00 0.00 H new ATOM 737 N SER A 59 4.305 -3.010 -3.400 1.00 0.00 N ATOM 738 CA SER A 59 4.335 -4.426 -3.093 1.00 0.00 C ATOM 739 C SER A 59 3.254 -4.754 -2.071 1.00 0.00 C ATOM 740 O SER A 59 2.718 -3.853 -1.424 1.00 0.00 O ATOM 741 CB SER A 59 5.706 -4.794 -2.535 1.00 0.00 C ATOM 742 OG SER A 59 6.738 -4.217 -3.313 1.00 0.00 O ATOM 0 H SER A 59 4.856 -2.435 -2.762 1.00 0.00 H new ATOM 0 HA SER A 59 4.149 -4.999 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.787 -4.451 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.818 -5.878 -2.521 1.00 0.00 H new ATOM 0 HG SER A 59 6.803 -3.260 -3.112 1.00 0.00 H new ATOM 748 N ALA A 60 2.946 -6.034 -1.916 1.00 0.00 N ATOM 749 CA ALA A 60 1.933 -6.466 -0.961 1.00 0.00 C ATOM 750 C ALA A 60 2.291 -6.013 0.453 1.00 0.00 C ATOM 751 O ALA A 60 1.421 -5.624 1.231 1.00 0.00 O ATOM 752 CB ALA A 60 1.769 -7.976 -1.015 1.00 0.00 C ATOM 0 H ALA A 60 3.383 -6.793 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 60 0.984 -6.003 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.010 -8.285 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.463 -8.273 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.717 -8.454 -0.769 1.00 0.00 H new ATOM 758 N GLU A 61 3.582 -6.052 0.768 1.00 0.00 N ATOM 759 CA GLU A 61 4.076 -5.622 2.074 1.00 0.00 C ATOM 760 C GLU A 61 3.782 -4.143 2.293 1.00 0.00 C ATOM 761 O GLU A 61 3.289 -3.739 3.347 1.00 0.00 O ATOM 762 CB GLU A 61 5.590 -5.842 2.199 1.00 0.00 C ATOM 763 CG GLU A 61 6.092 -7.173 1.656 1.00 0.00 C ATOM 764 CD GLU A 61 6.315 -7.144 0.156 1.00 0.00 C ATOM 765 OE1 GLU A 61 5.398 -7.535 -0.593 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.405 -6.716 -0.279 1.00 0.00 O ATOM 0 H GLU A 61 4.310 -6.379 0.133 1.00 0.00 H new ATOM 0 HA GLU A 61 3.564 -6.222 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.104 -5.036 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.868 -5.767 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.026 -7.435 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.372 -7.955 1.898 1.00 0.00 H new ATOM 773 N GLU A 62 4.088 -3.346 1.278 1.00 0.00 N ATOM 774 CA GLU A 62 3.911 -1.903 1.344 1.00 0.00 C ATOM 775 C GLU A 62 2.433 -1.548 1.454 1.00 0.00 C ATOM 776 O GLU A 62 2.052 -0.661 2.219 1.00 0.00 O ATOM 777 CB GLU A 62 4.542 -1.250 0.114 1.00 0.00 C ATOM 778 CG GLU A 62 6.016 -1.593 -0.041 1.00 0.00 C ATOM 779 CD GLU A 62 6.619 -1.063 -1.323 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.299 -1.601 -2.400 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.443 -0.129 -1.257 1.00 0.00 O ATOM 0 H GLU A 62 4.464 -3.680 0.391 1.00 0.00 H new ATOM 0 HA GLU A 62 4.410 -1.523 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.003 -1.569 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.430 -0.168 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.568 -1.188 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.136 -2.676 -0.011 1.00 0.00 H new ATOM 788 N ILE A 63 1.605 -2.265 0.704 1.00 0.00 N ATOM 789 CA ILE A 63 0.159 -2.079 0.752 1.00 0.00 C ATOM 790 C ILE A 63 -0.387 -2.457 2.130 1.00 0.00 C ATOM 791 O ILE A 63 -1.176 -1.720 2.722 1.00 0.00 O ATOM 792 CB ILE A 63 -0.541 -2.927 -0.332 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.052 -2.518 -1.724 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.053 -2.782 -0.234 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.524 -3.435 -2.832 1.00 0.00 C ATOM 0 H ILE A 63 1.913 -2.986 0.051 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.047 -1.026 0.563 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.288 -3.974 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.392 -1.504 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.038 -2.495 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.527 -3.387 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.388 -3.118 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.328 -1.736 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.137 -3.080 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.162 -4.446 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.614 -3.440 -2.861 1.00 0.00 H new ATOM 807 N CYS A 64 0.065 -3.600 2.640 1.00 0.00 N ATOM 808 CA CYS A 64 -0.352 -4.093 3.950 1.00 0.00 C ATOM 809 C CYS A 64 -0.062 -3.066 5.044 1.00 0.00 C ATOM 810 O CYS A 64 -0.904 -2.800 5.909 1.00 0.00 O ATOM 811 CB CYS A 64 0.374 -5.408 4.255 1.00 0.00 C ATOM 812 SG CYS A 64 0.117 -6.045 5.926 1.00 0.00 S ATOM 0 H CYS A 64 0.728 -4.208 2.159 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.428 -4.265 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.046 -6.162 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.443 -5.262 4.097 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.143 -6.315 6.098 1.00 0.00 H new ATOM 818 N GLU A 65 1.130 -2.487 4.994 1.00 0.00 N ATOM 819 CA GLU A 65 1.538 -1.500 5.971 1.00 0.00 C ATOM 820 C GLU A 65 0.730 -0.216 5.823 1.00 0.00 C ATOM 821 O GLU A 65 0.237 0.325 6.809 1.00 0.00 O ATOM 822 CB GLU A 65 3.034 -1.227 5.831 1.00 0.00 C ATOM 823 CG GLU A 65 3.515 -0.046 6.643 1.00 0.00 C ATOM 824 CD GLU A 65 5.019 -0.013 6.776 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.705 0.373 5.807 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.529 -0.391 7.850 1.00 0.00 O ATOM 0 H GLU A 65 1.831 -2.689 4.281 1.00 0.00 H new ATOM 0 HA GLU A 65 1.344 -1.892 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.587 -2.116 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.266 -1.053 4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.174 0.877 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.066 -0.084 7.635 1.00 0.00 H new ATOM 833 N ALA A 66 0.576 0.251 4.587 1.00 0.00 N ATOM 834 CA ALA A 66 -0.177 1.469 4.310 1.00 0.00 C ATOM 835 C ALA A 66 -1.607 1.369 4.823 1.00 0.00 C ATOM 836 O ALA A 66 -2.147 2.329 5.371 1.00 0.00 O ATOM 837 CB ALA A 66 -0.178 1.755 2.824 1.00 0.00 C ATOM 0 H ALA A 66 0.965 -0.199 3.758 1.00 0.00 H new ATOM 0 HA ALA A 66 0.312 2.290 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.743 2.667 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.847 1.883 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.639 0.922 2.293 1.00 0.00 H new ATOM 843 N PHE A 67 -2.214 0.206 4.641 1.00 0.00 N ATOM 844 CA PHE A 67 -3.549 -0.042 5.160 1.00 0.00 C ATOM 845 C PHE A 67 -3.572 0.105 6.673 1.00 0.00 C ATOM 846 O PHE A 67 -4.454 0.753 7.233 1.00 0.00 O ATOM 847 CB PHE A 67 -4.035 -1.433 4.759 1.00 0.00 C ATOM 848 CG PHE A 67 -4.897 -1.425 3.535 1.00 0.00 C ATOM 849 CD1 PHE A 67 -6.257 -1.206 3.645 1.00 0.00 C ATOM 850 CD2 PHE A 67 -4.354 -1.629 2.279 1.00 0.00 C ATOM 851 CE1 PHE A 67 -7.064 -1.192 2.528 1.00 0.00 C ATOM 852 CE2 PHE A 67 -5.156 -1.616 1.155 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.514 -1.397 1.280 1.00 0.00 C ATOM 0 H PHE A 67 -1.803 -0.580 4.138 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.222 0.699 4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.172 -2.076 4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.594 -1.868 5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.693 -1.044 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.293 -1.800 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.125 -1.021 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.722 -1.777 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.144 -1.386 0.403 1.00 0.00 H new ATOM 863 N THR A 68 -2.585 -0.476 7.330 1.00 0.00 N ATOM 864 CA THR A 68 -2.502 -0.399 8.775 1.00 0.00 C ATOM 865 C THR A 68 -2.266 1.050 9.204 1.00 0.00 C ATOM 866 O THR A 68 -2.765 1.500 10.238 1.00 0.00 O ATOM 867 CB THR A 68 -1.380 -1.308 9.312 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.529 -2.633 8.772 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.420 -1.372 10.831 1.00 0.00 C ATOM 0 H THR A 68 -1.833 -1.004 6.887 1.00 0.00 H new ATOM 0 HA THR A 68 -3.446 -0.747 9.196 1.00 0.00 H new ATOM 0 HB THR A 68 -0.421 -0.891 9.005 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.233 -2.641 7.838 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.619 -2.019 11.189 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.288 -0.371 11.241 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.381 -1.772 11.153 1.00 0.00 H new ATOM 877 N LYS A 69 -1.537 1.780 8.369 1.00 0.00 N ATOM 878 CA LYS A 69 -1.258 3.190 8.593 1.00 0.00 C ATOM 879 C LYS A 69 -2.533 4.028 8.608 1.00 0.00 C ATOM 880 O LYS A 69 -2.638 4.998 9.359 1.00 0.00 O ATOM 881 CB LYS A 69 -0.339 3.709 7.493 1.00 0.00 C ATOM 882 CG LYS A 69 1.088 3.204 7.590 1.00 0.00 C ATOM 883 CD LYS A 69 1.871 3.947 8.654 1.00 0.00 C ATOM 884 CE LYS A 69 2.073 5.404 8.280 1.00 0.00 C ATOM 885 NZ LYS A 69 2.744 6.168 9.362 1.00 0.00 N ATOM 0 H LYS A 69 -1.122 1.408 7.515 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.780 3.280 9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.750 3.422 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.331 4.798 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.083 2.138 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.582 3.321 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.343 3.884 9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.840 3.469 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.669 5.465 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.107 5.859 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.863 7.158 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.163 6.132 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.677 5.750 9.555 1.00 0.00 H new ATOM 899 N VAL A 70 -3.498 3.658 7.772 1.00 0.00 N ATOM 900 CA VAL A 70 -4.733 4.428 7.656 1.00 0.00 C ATOM 901 C VAL A 70 -5.794 3.939 8.639 1.00 0.00 C ATOM 902 O VAL A 70 -6.932 4.411 8.626 1.00 0.00 O ATOM 903 CB VAL A 70 -5.302 4.407 6.217 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.270 4.933 5.232 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.763 3.012 5.815 1.00 0.00 C ATOM 0 H VAL A 70 -3.451 2.837 7.169 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.474 5.458 7.903 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.175 5.060 6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.685 4.912 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.006 5.957 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.378 4.307 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.156 3.038 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.920 2.323 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.544 2.676 6.498 1.00 0.00 H new ATOM 915 N GLY A 71 -5.415 3.002 9.496 1.00 0.00 N ATOM 916 CA GLY A 71 -6.324 2.521 10.517 1.00 0.00 C ATOM 917 C GLY A 71 -7.071 1.274 10.099 1.00 0.00 C ATOM 918 O GLY A 71 -8.048 0.884 10.739 1.00 0.00 O ATOM 0 H GLY A 71 -4.493 2.566 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.763 2.314 11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.042 3.306 10.756 1.00 0.00 H new ATOM 922 N GLN A 72 -6.617 0.646 9.028 1.00 0.00 N ATOM 923 CA GLN A 72 -7.225 -0.583 8.548 1.00 0.00 C ATOM 924 C GLN A 72 -6.192 -1.705 8.572 1.00 0.00 C ATOM 925 O GLN A 72 -5.464 -1.911 7.604 1.00 0.00 O ATOM 926 CB GLN A 72 -7.751 -0.377 7.122 1.00 0.00 C ATOM 927 CG GLN A 72 -8.361 -1.619 6.489 1.00 0.00 C ATOM 928 CD GLN A 72 -9.755 -1.918 6.989 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.942 -2.643 7.966 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.742 -1.359 6.315 1.00 0.00 N ATOM 0 H GLN A 72 -5.825 0.969 8.472 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.059 -0.854 9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.501 0.414 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.932 -0.029 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.390 -1.491 5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.718 -2.475 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.538 -0.765 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.709 -1.521 6.598 1.00 0.00 H new ATOM 939 N PRO A 73 -6.105 -2.444 9.680 1.00 0.00 N ATOM 940 CA PRO A 73 -5.129 -3.515 9.814 1.00 0.00 C ATOM 941 C PRO A 73 -5.488 -4.726 8.962 1.00 0.00 C ATOM 942 O PRO A 73 -6.388 -5.502 9.297 1.00 0.00 O ATOM 943 CB PRO A 73 -5.159 -3.862 11.301 1.00 0.00 C ATOM 944 CG PRO A 73 -6.496 -3.411 11.786 1.00 0.00 C ATOM 945 CD PRO A 73 -6.931 -2.280 10.889 1.00 0.00 C ATOM 0 HA PRO A 73 -4.141 -3.210 9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.025 -4.932 11.457 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.356 -3.358 11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.215 -4.229 11.751 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.439 -3.081 12.823 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.994 -2.341 10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.763 -1.311 11.359 1.00 0.00 H new ATOM 953 N LYS A 74 -4.803 -4.851 7.840 1.00 0.00 N ATOM 954 CA LYS A 74 -4.986 -5.981 6.945 1.00 0.00 C ATOM 955 C LYS A 74 -3.749 -6.856 6.962 1.00 0.00 C ATOM 956 O LYS A 74 -2.626 -6.351 6.970 1.00 0.00 O ATOM 957 CB LYS A 74 -5.257 -5.508 5.514 1.00 0.00 C ATOM 958 CG LYS A 74 -6.630 -4.888 5.313 1.00 0.00 C ATOM 959 CD LYS A 74 -7.737 -5.892 5.593 1.00 0.00 C ATOM 960 CE LYS A 74 -9.104 -5.323 5.261 1.00 0.00 C ATOM 961 NZ LYS A 74 -10.197 -6.270 5.611 1.00 0.00 N ATOM 0 H LYS A 74 -4.107 -4.176 7.524 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.847 -6.554 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.497 -4.779 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.151 -6.355 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.742 -4.027 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.719 -4.521 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.566 -6.795 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.708 -6.183 6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.248 -4.386 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.152 -5.090 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.115 -5.845 5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.074 -7.155 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.167 -6.473 6.631 1.00 0.00 H new ATOM 975 N THR A 75 -3.955 -8.159 6.976 1.00 0.00 N ATOM 976 CA THR A 75 -2.850 -9.095 6.951 1.00 0.00 C ATOM 977 C THR A 75 -2.270 -9.199 5.546 1.00 0.00 C ATOM 978 O THR A 75 -2.939 -8.870 4.561 1.00 0.00 O ATOM 979 CB THR A 75 -3.291 -10.488 7.432 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.453 -10.913 6.707 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.586 -10.475 8.923 1.00 0.00 C ATOM 0 H THR A 75 -4.878 -8.592 7.005 1.00 0.00 H new ATOM 0 HA THR A 75 -2.084 -8.720 7.629 1.00 0.00 H new ATOM 0 HB THR A 75 -2.477 -11.189 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.726 -11.801 7.018 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.896 -11.470 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.689 -10.182 9.469 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.385 -9.763 9.130 1.00 0.00 H new ATOM 989 N LEU A 76 -1.031 -9.657 5.457 1.00 0.00 N ATOM 990 CA LEU A 76 -0.363 -9.812 4.176 1.00 0.00 C ATOM 991 C LEU A 76 -1.102 -10.838 3.325 1.00 0.00 C ATOM 992 O LEU A 76 -1.162 -10.725 2.099 1.00 0.00 O ATOM 993 CB LEU A 76 1.091 -10.241 4.395 1.00 0.00 C ATOM 994 CG LEU A 76 1.939 -10.346 3.129 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.020 -8.999 2.432 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.330 -10.856 3.466 1.00 0.00 C ATOM 0 H LEU A 76 -0.466 -9.929 6.262 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.368 -8.857 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.564 -9.529 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.095 -11.209 4.897 1.00 0.00 H new ATOM 0 HG LEU A 76 1.465 -11.056 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.628 -9.091 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.017 -8.669 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.473 -8.269 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.923 -10.926 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.812 -10.167 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.255 -11.841 3.926 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.676 -11.827 4.000 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.461 -12.866 3.348 1.00 0.00 C ATOM 1010 C ASN A 77 -3.630 -12.260 2.585 1.00 0.00 C ATOM 1011 O ASN A 77 -3.887 -12.624 1.437 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.981 -13.859 4.387 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.728 -15.026 3.767 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.952 -14.989 3.613 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -3.001 -16.070 3.403 1.00 0.00 N ATOM 0 H ASN A 77 -1.610 -11.930 5.013 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.817 -13.388 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.142 -14.240 4.970 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.641 -13.339 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.450 -16.881 2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.991 -16.063 3.547 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.326 -11.326 3.227 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.448 -10.641 2.595 1.00 0.00 C ATOM 1024 C GLU A 78 -4.994 -9.926 1.337 1.00 0.00 C ATOM 1025 O GLU A 78 -5.596 -10.076 0.280 1.00 0.00 O ATOM 1026 CB GLU A 78 -6.084 -9.624 3.544 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.884 -10.251 4.667 1.00 0.00 C ATOM 1028 CD GLU A 78 -8.030 -11.098 4.159 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -9.030 -10.526 3.679 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -7.942 -12.338 4.236 1.00 0.00 O ATOM 0 H GLU A 78 -4.133 -11.027 4.183 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.189 -11.398 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.299 -9.002 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.736 -8.965 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.225 -10.867 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.276 -9.465 5.313 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.909 -9.173 1.458 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.396 -8.384 0.349 1.00 0.00 C ATOM 1039 C ILE A 79 -3.023 -9.285 -0.827 1.00 0.00 C ATOM 1040 O ILE A 79 -3.361 -8.993 -1.975 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.173 -7.543 0.775 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.509 -6.689 2.006 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.704 -6.661 -0.374 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.696 -5.763 1.814 1.00 0.00 C ATOM 0 H ILE A 79 -3.366 -9.093 2.318 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.188 -7.703 0.038 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.363 -8.224 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.710 -7.350 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.636 -6.092 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.842 -6.076 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.425 -7.286 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.510 -5.989 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.867 -5.196 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.492 -5.075 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.583 -6.352 1.581 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.353 -10.394 -0.534 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.984 -11.354 -1.568 1.00 0.00 C ATOM 1058 C LYS A 80 -3.222 -11.956 -2.218 1.00 0.00 C ATOM 1059 O LYS A 80 -3.288 -12.085 -3.439 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.116 -12.469 -0.991 1.00 0.00 C ATOM 1061 CG LYS A 80 0.262 -12.007 -0.568 1.00 0.00 C ATOM 1062 CD LYS A 80 1.157 -13.187 -0.235 1.00 0.00 C ATOM 1063 CE LYS A 80 2.589 -12.751 0.025 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.482 -13.911 0.278 1.00 0.00 N ATOM 0 H LYS A 80 -2.055 -10.650 0.407 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.413 -10.817 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.624 -12.905 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.013 -13.259 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.713 -11.419 -1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.179 -11.353 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.768 -13.702 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.138 -13.902 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.959 -12.188 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.614 -12.079 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.450 -13.573 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.144 -14.434 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.478 -14.539 -0.551 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.192 -12.318 -1.390 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.454 -12.884 -1.867 1.00 0.00 C ATOM 1080 C ARG A 81 -6.193 -11.898 -2.768 1.00 0.00 C ATOM 1081 O ARG A 81 -6.730 -12.274 -3.810 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.344 -13.270 -0.679 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.737 -13.748 -1.069 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.697 -15.050 -1.858 1.00 0.00 C ATOM 1085 NE ARG A 81 -9.043 -15.531 -2.179 1.00 0.00 N ATOM 1086 CZ ARG A 81 -9.305 -16.669 -2.823 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -8.316 -17.457 -3.231 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -10.563 -17.019 -3.059 1.00 0.00 N ATOM 0 H ARG A 81 -4.131 -12.230 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.224 -13.776 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.849 -14.057 -0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.440 -12.409 -0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.336 -13.888 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.230 -12.979 -1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.135 -14.900 -2.780 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.167 -15.809 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.834 -14.956 -1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.347 -17.193 -3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.526 -18.326 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.326 -16.418 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.767 -17.889 -3.551 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.215 -10.639 -2.359 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.883 -9.592 -3.122 1.00 0.00 C ATOM 1104 C ILE A 82 -6.173 -9.348 -4.451 1.00 0.00 C ATOM 1105 O ILE A 82 -6.809 -9.093 -5.473 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.943 -8.281 -2.309 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.762 -8.499 -1.033 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.542 -7.157 -3.141 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.582 -7.421 0.018 1.00 0.00 C ATOM 0 H ILE A 82 -5.775 -10.315 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.900 -9.926 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.928 -7.993 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.817 -8.558 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.488 -9.461 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.575 -6.243 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.928 -6.993 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.553 -7.428 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.197 -7.654 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.535 -7.375 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.885 -6.458 -0.393 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.852 -9.442 -4.438 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.065 -9.237 -5.644 1.00 0.00 C ATOM 1123 C LEU A 83 -4.110 -10.460 -6.552 1.00 0.00 C ATOM 1124 O LEU A 83 -3.923 -10.345 -7.763 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.617 -8.899 -5.288 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.410 -7.513 -4.673 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -0.973 -7.338 -4.218 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.786 -6.429 -5.672 1.00 0.00 C ATOM 0 H LEU A 83 -4.303 -9.659 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.502 -8.398 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.246 -9.649 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.010 -8.974 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.059 -7.424 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.847 -6.346 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.733 -8.094 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.305 -7.448 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.633 -5.449 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.161 -6.520 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.833 -6.540 -5.952 1.00 0.00 H new ATOM 1140 N SER A 84 -4.367 -11.623 -5.976 1.00 0.00 N ATOM 1141 CA SER A 84 -4.445 -12.847 -6.756 1.00 0.00 C ATOM 1142 C SER A 84 -5.822 -12.977 -7.402 1.00 0.00 C ATOM 1143 O SER A 84 -6.812 -13.167 -6.666 1.00 0.00 O ATOM 1144 CB SER A 84 -4.130 -14.070 -5.887 1.00 0.00 C ATOM 1145 OG SER A 84 -4.962 -14.122 -4.742 1.00 0.00 O ATOM 1146 OXT SER A 84 -5.907 -12.888 -8.645 1.00 0.00 O ATOM 0 H SER A 84 -4.524 -11.745 -4.976 1.00 0.00 H new ATOM 0 HA SER A 84 -3.697 -12.799 -7.547 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.261 -14.979 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.085 -14.038 -5.578 1.00 0.00 H new ATOM 0 HG SER A 84 -5.596 -13.375 -4.764 1.00 0.00 H new