USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 CYS SG : rot 100:sc= -0.154! USER MOD Set 1.2: A 68 CYS SG : rot -43:sc= -1.44 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -9.69! C(o=-17!,f=-22!) USER MOD Set 1.4: A 85 ASN : amide:sc= -4.83! C(o=-17!,f=-32!) USER MOD Set 1.5: A 86 HIS :FLIP no HD1:sc= -1.3 F(o=-19,f=-17) USER MOD Set 2.1: A 64 THR OG1 : rot 31:sc= 0.103 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.0662 X(o=0.17,f=0.018) USER MOD Set 3.1: A 37 CYS SG : rot 136:sc= 0.825 USER MOD Set 3.2: A 40 CYS SG : rot -66:sc= -0.683 USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= -0.332 F(o=-1.9,f=-0.19) USER MOD Single : A 20 SER OG : rot -25:sc= 0.21 USER MOD Single : A 24 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.76) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.327 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.021 (180deg=-0.213) USER MOD Single : A 55 MET CE :methyl 164:sc=-0.00461 (180deg=-0.377) USER MOD Single : A 66 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=-0.23) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 16:sc= 0.265 USER MOD Single : A 78 MET CE :methyl -126:sc= -0.124 (180deg=-0.256) USER MOD Single : A 79 LYS NZ :NH3+ -148:sc= -0.572 (180deg=-2.08!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -165:sc= -0.579 (180deg=-0.782) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -3.833 9.871 -0.545 1.00 0.00 N ATOM 263 CA SER A 20 -4.255 9.785 -1.938 1.00 0.00 C ATOM 264 C SER A 20 -3.677 8.540 -2.605 1.00 0.00 C ATOM 265 O SER A 20 -2.594 8.076 -2.245 1.00 0.00 O ATOM 266 CB SER A 20 -3.820 11.036 -2.703 1.00 0.00 C ATOM 267 OG SER A 20 -2.450 11.320 -2.480 1.00 0.00 O ATOM 0 HA SER A 20 -5.343 9.715 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.996 10.894 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.426 11.886 -2.391 1.00 0.00 H new ATOM 0 HG SER A 20 -2.173 10.940 -1.620 1.00 0.00 H new ATOM 273 N LEU A 21 -4.405 8.006 -3.578 1.00 0.00 N ATOM 274 CA LEU A 21 -3.966 6.815 -4.297 1.00 0.00 C ATOM 275 C LEU A 21 -2.471 6.877 -4.592 1.00 0.00 C ATOM 276 O LEU A 21 -1.782 5.858 -4.574 1.00 0.00 O ATOM 277 CB LEU A 21 -4.749 6.665 -5.602 1.00 0.00 C ATOM 278 CG LEU A 21 -6.042 5.852 -5.520 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.822 5.956 -6.821 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.738 4.398 -5.193 1.00 0.00 C ATOM 0 H LEU A 21 -5.303 8.379 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.157 5.948 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.992 7.661 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.097 6.200 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.656 6.263 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.739 5.371 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.072 6.999 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.215 5.572 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.670 3.835 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.103 3.975 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.223 4.341 -4.234 1.00 0.00 H new ATOM 292 N GLU A 22 -1.976 8.082 -4.862 1.00 0.00 N ATOM 293 CA GLU A 22 -0.562 8.276 -5.159 1.00 0.00 C ATOM 294 C GLU A 22 0.313 7.642 -4.082 1.00 0.00 C ATOM 295 O GLU A 22 1.107 6.745 -4.363 1.00 0.00 O ATOM 296 CB GLU A 22 -0.244 9.768 -5.277 1.00 0.00 C ATOM 297 CG GLU A 22 -0.944 10.450 -6.440 1.00 0.00 C ATOM 298 CD GLU A 22 -1.162 11.932 -6.202 1.00 0.00 C ATOM 299 OE1 GLU A 22 -0.162 12.678 -6.150 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.333 12.345 -6.069 1.00 0.00 O ATOM 0 H GLU A 22 -2.533 8.936 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.347 7.789 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.529 10.266 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.833 9.894 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.352 10.314 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.906 9.968 -6.613 1.00 0.00 H new ATOM 307 N GLU A 23 0.161 8.116 -2.850 1.00 0.00 N ATOM 308 CA GLU A 23 0.938 7.596 -1.731 1.00 0.00 C ATOM 309 C GLU A 23 0.995 6.071 -1.770 1.00 0.00 C ATOM 310 O GLU A 23 2.068 5.477 -1.662 1.00 0.00 O ATOM 311 CB GLU A 23 0.337 8.061 -0.403 1.00 0.00 C ATOM 312 CG GLU A 23 1.006 7.449 0.816 1.00 0.00 C ATOM 313 CD GLU A 23 2.358 8.069 1.113 1.00 0.00 C ATOM 314 OE1 GLU A 23 3.330 7.744 0.401 1.00 0.00 O ATOM 315 OE2 GLU A 23 2.442 8.881 2.059 1.00 0.00 O ATOM 0 H GLU A 23 -0.492 8.859 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 23 1.953 7.983 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.411 9.147 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.724 7.813 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.356 7.572 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.129 6.377 0.659 1.00 0.00 H new ATOM 322 N GLN A 24 -0.168 5.446 -1.923 1.00 0.00 N ATOM 323 CA GLN A 24 -0.251 3.991 -1.974 1.00 0.00 C ATOM 324 C GLN A 24 0.647 3.433 -3.074 1.00 0.00 C ATOM 325 O GLN A 24 1.584 2.682 -2.802 1.00 0.00 O ATOM 326 CB GLN A 24 -1.697 3.549 -2.207 1.00 0.00 C ATOM 327 CG GLN A 24 -2.641 3.943 -1.083 1.00 0.00 C ATOM 328 CD GLN A 24 -4.071 4.115 -1.556 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.665 5.183 -1.402 1.00 0.00 O ATOM 330 NE2 GLN A 24 -4.634 3.061 -2.136 1.00 0.00 N ATOM 0 H GLN A 24 -1.065 5.924 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 24 0.091 3.599 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.055 3.983 -3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.722 2.466 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.609 3.182 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.296 4.874 -0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.106 2.195 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.595 3.117 -2.474 1.00 0.00 H new ATOM 339 N TRP A 25 0.354 3.804 -4.315 1.00 0.00 N ATOM 340 CA TRP A 25 1.135 3.340 -5.456 1.00 0.00 C ATOM 341 C TRP A 25 2.629 3.469 -5.181 1.00 0.00 C ATOM 342 O TRP A 25 3.406 2.563 -5.486 1.00 0.00 O ATOM 343 CB TRP A 25 0.764 4.133 -6.710 1.00 0.00 C ATOM 344 CG TRP A 25 -0.672 3.975 -7.110 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.452 2.867 -6.942 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.497 4.957 -7.746 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.713 3.101 -7.435 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.767 4.376 -7.933 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.288 6.271 -8.174 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.819 5.064 -8.531 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.334 6.952 -8.767 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.587 6.349 -8.940 1.00 0.00 C ATOM 0 H TRP A 25 -0.418 4.425 -4.557 1.00 0.00 H new ATOM 0 HA TRP A 25 0.904 2.287 -5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.972 5.189 -6.538 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.401 3.813 -7.535 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.126 1.943 -6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.484 2.433 -7.431 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.327 6.745 -8.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.785 4.600 -8.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.183 7.967 -9.103 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.385 6.909 -9.405 1.00 0.00 H new ATOM 363 N TYR A 26 3.025 4.598 -4.605 1.00 0.00 N ATOM 364 CA TYR A 26 4.428 4.845 -4.292 1.00 0.00 C ATOM 365 C TYR A 26 5.023 3.682 -3.504 1.00 0.00 C ATOM 366 O TYR A 26 6.048 3.117 -3.888 1.00 0.00 O ATOM 367 CB TYR A 26 4.573 6.143 -3.495 1.00 0.00 C ATOM 368 CG TYR A 26 5.999 6.456 -3.101 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.935 6.838 -4.054 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.411 6.367 -1.777 1.00 0.00 C ATOM 371 CE1 TYR A 26 8.239 7.124 -3.700 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.712 6.653 -1.414 1.00 0.00 C ATOM 373 CZ TYR A 26 8.623 7.031 -2.378 1.00 0.00 C ATOM 374 OH TYR A 26 9.921 7.315 -2.020 1.00 0.00 O ATOM 0 H TYR A 26 2.395 5.357 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 26 4.973 4.940 -5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.179 6.969 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.962 6.077 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.638 6.913 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.702 6.069 -1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.954 7.419 -4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.015 6.581 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 26 10.026 7.202 -1.052 1.00 0.00 H new ATOM 384 N LEU A 27 4.374 3.330 -2.401 1.00 0.00 N ATOM 385 CA LEU A 27 4.837 2.233 -1.557 1.00 0.00 C ATOM 386 C LEU A 27 5.147 0.996 -2.395 1.00 0.00 C ATOM 387 O LEU A 27 6.260 0.473 -2.356 1.00 0.00 O ATOM 388 CB LEU A 27 3.784 1.896 -0.501 1.00 0.00 C ATOM 389 CG LEU A 27 3.304 3.062 0.364 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.971 2.730 1.016 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.344 3.407 1.420 1.00 0.00 C ATOM 0 H LEU A 27 3.525 3.788 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 27 5.753 2.552 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.919 1.463 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.190 1.126 0.155 1.00 0.00 H new ATOM 0 HG LEU A 27 3.165 3.932 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.645 3.572 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.227 2.533 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.083 1.847 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.985 4.239 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.516 2.540 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.277 3.689 0.933 1.00 0.00 H new ATOM 403 N GLU A 28 4.156 0.536 -3.152 1.00 0.00 N ATOM 404 CA GLU A 28 4.325 -0.639 -3.999 1.00 0.00 C ATOM 405 C GLU A 28 5.683 -0.617 -4.695 1.00 0.00 C ATOM 406 O GLU A 28 6.269 -1.665 -4.968 1.00 0.00 O ATOM 407 CB GLU A 28 3.207 -0.708 -5.041 1.00 0.00 C ATOM 408 CG GLU A 28 2.858 -2.124 -5.466 1.00 0.00 C ATOM 409 CD GLU A 28 2.624 -3.047 -4.286 1.00 0.00 C ATOM 410 OE1 GLU A 28 1.865 -2.661 -3.372 1.00 0.00 O ATOM 411 OE2 GLU A 28 3.200 -4.155 -4.276 1.00 0.00 O ATOM 0 H GLU A 28 3.229 0.958 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 28 4.276 -1.524 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.315 -0.229 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.505 -0.137 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.963 -2.102 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.664 -2.524 -6.081 1.00 0.00 H new ATOM 418 N ILE A 29 6.177 0.584 -4.978 1.00 0.00 N ATOM 419 CA ILE A 29 7.465 0.743 -5.641 1.00 0.00 C ATOM 420 C ILE A 29 8.612 0.671 -4.638 1.00 0.00 C ATOM 421 O ILE A 29 9.515 -0.155 -4.770 1.00 0.00 O ATOM 422 CB ILE A 29 7.546 2.079 -6.402 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.429 2.167 -7.444 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.908 2.231 -7.063 1.00 0.00 C ATOM 425 CD1 ILE A 29 6.053 3.586 -7.808 1.00 0.00 C ATOM 0 H ILE A 29 5.704 1.461 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 29 7.556 -0.077 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 29 7.417 2.894 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.742 1.640 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.547 1.652 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.949 3.180 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.687 2.209 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.065 1.413 -7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.256 3.572 -8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.709 4.111 -6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.923 4.099 -8.219 1.00 0.00 H new ATOM 437 N VAL A 30 8.568 1.541 -3.634 1.00 0.00 N ATOM 438 CA VAL A 30 9.602 1.575 -2.607 1.00 0.00 C ATOM 439 C VAL A 30 9.734 0.222 -1.916 1.00 0.00 C ATOM 440 O VAL A 30 10.735 -0.054 -1.254 1.00 0.00 O ATOM 441 CB VAL A 30 9.305 2.653 -1.548 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.716 3.894 -2.200 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.370 2.107 -0.479 1.00 0.00 C ATOM 0 H VAL A 30 7.827 2.231 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 30 10.539 1.817 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 30 10.243 2.934 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.513 4.645 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.425 4.296 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.788 3.632 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.171 2.882 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.432 1.796 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.836 1.251 0.009 1.00 0.00 H new ATOM 453 N ASP A 31 8.718 -0.619 -2.074 1.00 0.00 N ATOM 454 CA ASP A 31 8.721 -1.944 -1.466 1.00 0.00 C ATOM 455 C ASP A 31 9.170 -3.001 -2.470 1.00 0.00 C ATOM 456 O ASP A 31 10.154 -3.708 -2.246 1.00 0.00 O ATOM 457 CB ASP A 31 7.328 -2.288 -0.935 1.00 0.00 C ATOM 458 CG ASP A 31 7.380 -3.190 0.283 1.00 0.00 C ATOM 459 OD1 ASP A 31 8.179 -4.149 0.277 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.620 -2.937 1.242 1.00 0.00 O ATOM 0 H ASP A 31 7.882 -0.407 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 31 9.426 -1.934 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.802 -1.368 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.753 -2.777 -1.721 1.00 0.00 H new ATOM 465 N LYS A 32 8.444 -3.105 -3.578 1.00 0.00 N ATOM 466 CA LYS A 32 8.767 -4.075 -4.618 1.00 0.00 C ATOM 467 C LYS A 32 9.705 -3.468 -5.656 1.00 0.00 C ATOM 468 O LYS A 32 10.734 -4.051 -5.994 1.00 0.00 O ATOM 469 CB LYS A 32 7.488 -4.569 -5.298 1.00 0.00 C ATOM 470 CG LYS A 32 6.369 -4.897 -4.324 1.00 0.00 C ATOM 471 CD LYS A 32 6.681 -6.145 -3.516 1.00 0.00 C ATOM 472 CE LYS A 32 7.403 -5.806 -2.221 1.00 0.00 C ATOM 473 NZ LYS A 32 7.918 -7.024 -1.537 1.00 0.00 N ATOM 0 H LYS A 32 7.627 -2.529 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 32 9.271 -4.919 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.140 -3.807 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.719 -5.457 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.214 -4.055 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.438 -5.041 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.755 -6.674 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.296 -6.820 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.232 -5.131 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.723 -5.275 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.403 -6.750 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.124 -7.657 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.587 -7.517 -2.163 1.00 0.00 H new ATOM 487 N GLY A 33 9.343 -2.291 -6.157 1.00 0.00 N ATOM 488 CA GLY A 33 10.164 -1.624 -7.151 1.00 0.00 C ATOM 489 C GLY A 33 9.342 -1.016 -8.270 1.00 0.00 C ATOM 490 O GLY A 33 9.834 -0.179 -9.027 1.00 0.00 O ATOM 0 H GLY A 33 8.496 -1.788 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.749 -0.842 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.872 -2.338 -7.571 1.00 0.00 H new ATOM 494 N SER A 34 8.086 -1.438 -8.376 1.00 0.00 N ATOM 495 CA SER A 34 7.195 -0.934 -9.414 1.00 0.00 C ATOM 496 C SER A 34 5.740 -0.999 -8.960 1.00 0.00 C ATOM 497 O SER A 34 5.421 -1.622 -7.947 1.00 0.00 O ATOM 498 CB SER A 34 7.374 -1.738 -10.704 1.00 0.00 C ATOM 499 OG SER A 34 6.603 -2.926 -10.675 1.00 0.00 O ATOM 0 H SER A 34 7.663 -2.128 -7.755 1.00 0.00 H new ATOM 0 HA SER A 34 7.452 0.108 -9.604 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.079 -1.130 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.427 -1.987 -10.838 1.00 0.00 H new ATOM 0 HG SER A 34 6.733 -3.421 -11.511 1.00 0.00 H new ATOM 505 N VAL A 35 4.861 -0.348 -9.716 1.00 0.00 N ATOM 506 CA VAL A 35 3.440 -0.331 -9.393 1.00 0.00 C ATOM 507 C VAL A 35 2.609 -0.904 -10.536 1.00 0.00 C ATOM 508 O VAL A 35 2.944 -0.731 -11.707 1.00 0.00 O ATOM 509 CB VAL A 35 2.951 1.097 -9.084 1.00 0.00 C ATOM 510 CG1 VAL A 35 3.013 1.964 -10.332 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.541 1.066 -8.516 1.00 0.00 C ATOM 0 H VAL A 35 5.109 0.174 -10.556 1.00 0.00 H new ATOM 0 HA VAL A 35 3.310 -0.952 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 35 3.610 1.534 -8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.664 2.969 -10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.041 2.012 -10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.378 1.533 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.212 2.083 -8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.867 0.610 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.532 0.482 -7.596 1.00 0.00 H new ATOM 521 N SER A 36 1.524 -1.587 -10.186 1.00 0.00 N ATOM 522 CA SER A 36 0.646 -2.189 -11.183 1.00 0.00 C ATOM 523 C SER A 36 -0.505 -1.251 -11.531 1.00 0.00 C ATOM 524 O SER A 36 -0.755 -0.270 -10.831 1.00 0.00 O ATOM 525 CB SER A 36 0.097 -3.522 -10.671 1.00 0.00 C ATOM 526 OG SER A 36 -0.906 -4.026 -11.536 1.00 0.00 O ATOM 0 H SER A 36 1.232 -1.737 -9.220 1.00 0.00 H new ATOM 0 HA SER A 36 1.230 -2.368 -12.086 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.908 -4.246 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.314 -3.389 -9.670 1.00 0.00 H new ATOM 0 HG SER A 36 -1.240 -4.879 -11.188 1.00 0.00 H new ATOM 532 N CYS A 37 -1.205 -1.561 -12.617 1.00 0.00 N ATOM 533 CA CYS A 37 -2.330 -0.747 -13.061 1.00 0.00 C ATOM 534 C CYS A 37 -3.613 -1.155 -12.341 1.00 0.00 C ATOM 535 O CYS A 37 -4.080 -2.289 -12.447 1.00 0.00 O ATOM 536 CB CYS A 37 -2.517 -0.878 -14.573 1.00 0.00 C ATOM 537 SG CYS A 37 -3.524 0.446 -15.316 1.00 0.00 S ATOM 0 H CYS A 37 -1.013 -2.371 -13.206 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.112 0.293 -12.818 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.537 -0.885 -15.050 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.984 -1.839 -14.789 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.958 0.859 -16.411 1.00 0.00 H new ATOM 542 N PRO A 38 -4.197 -0.208 -11.592 1.00 0.00 N ATOM 543 CA PRO A 38 -5.434 -0.444 -10.841 1.00 0.00 C ATOM 544 C PRO A 38 -6.644 -0.607 -11.754 1.00 0.00 C ATOM 545 O PRO A 38 -7.742 -0.929 -11.297 1.00 0.00 O ATOM 546 CB PRO A 38 -5.576 0.816 -9.985 1.00 0.00 C ATOM 547 CG PRO A 38 -4.836 1.869 -10.736 1.00 0.00 C ATOM 548 CD PRO A 38 -3.696 1.166 -11.420 1.00 0.00 C ATOM 0 HA PRO A 38 -5.389 -1.366 -10.262 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.623 1.087 -9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.155 0.669 -8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.484 2.359 -11.462 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.469 2.644 -10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.455 1.629 -12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.789 1.190 -10.816 1.00 0.00 H new ATOM 556 N THR A 39 -6.438 -0.384 -13.049 1.00 0.00 N ATOM 557 CA THR A 39 -7.512 -0.505 -14.026 1.00 0.00 C ATOM 558 C THR A 39 -7.496 -1.875 -14.694 1.00 0.00 C ATOM 559 O THR A 39 -8.428 -2.665 -14.537 1.00 0.00 O ATOM 560 CB THR A 39 -7.410 0.583 -15.111 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.152 1.855 -14.506 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.691 0.655 -15.928 1.00 0.00 C ATOM 0 H THR A 39 -5.536 -0.118 -13.445 1.00 0.00 H new ATOM 0 HA THR A 39 -8.449 -0.379 -13.483 1.00 0.00 H new ATOM 0 HB THR A 39 -6.587 0.324 -15.777 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.087 2.541 -15.203 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.595 1.431 -16.688 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.869 -0.306 -16.411 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.528 0.892 -15.272 1.00 0.00 H new ATOM 570 N CYS A 40 -6.431 -2.153 -15.439 1.00 0.00 N ATOM 571 CA CYS A 40 -6.292 -3.428 -16.131 1.00 0.00 C ATOM 572 C CYS A 40 -5.625 -4.465 -15.232 1.00 0.00 C ATOM 573 O CYS A 40 -5.928 -5.656 -15.310 1.00 0.00 O ATOM 574 CB CYS A 40 -5.479 -3.250 -17.414 1.00 0.00 C ATOM 575 SG CYS A 40 -3.776 -2.665 -17.139 1.00 0.00 S ATOM 0 H CYS A 40 -5.651 -1.511 -15.579 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.290 -3.784 -16.388 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.444 -4.202 -17.944 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.995 -2.542 -18.063 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.804 -1.460 -16.653 1.00 0.00 H new ATOM 580 N GLN A 41 -4.716 -4.004 -14.379 1.00 0.00 N ATOM 581 CA GLN A 41 -4.005 -4.891 -13.466 1.00 0.00 C ATOM 582 C GLN A 41 -3.258 -5.977 -14.233 1.00 0.00 C ATOM 583 O GLN A 41 -3.222 -7.133 -13.814 1.00 0.00 O ATOM 584 CB GLN A 41 -4.983 -5.529 -12.478 1.00 0.00 C ATOM 585 CG GLN A 41 -5.661 -4.526 -11.558 1.00 0.00 C ATOM 586 CD GLN A 41 -6.393 -5.190 -10.409 1.00 0.00 C ATOM 587 OE1 GLN A 41 -7.231 -6.068 -10.616 1.00 0.00 O ATOM 588 NE2 GLN A 41 -6.079 -4.774 -9.187 1.00 0.00 N ATOM 0 H GLN A 41 -4.455 -3.021 -14.301 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.277 -4.296 -12.914 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.746 -6.072 -13.035 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.449 -6.261 -11.873 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.913 -3.841 -11.160 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.366 -3.928 -12.135 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.378 -4.043 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.539 -5.185 -8.375 1.00 0.00 H new ATOM 597 N ALA A 42 -2.664 -5.596 -15.359 1.00 0.00 N ATOM 598 CA ALA A 42 -1.916 -6.537 -16.184 1.00 0.00 C ATOM 599 C ALA A 42 -0.435 -6.174 -16.226 1.00 0.00 C ATOM 600 O ALA A 42 0.431 -7.045 -16.144 1.00 0.00 O ATOM 601 CB ALA A 42 -2.491 -6.577 -17.592 1.00 0.00 C ATOM 0 H ALA A 42 -2.686 -4.643 -15.721 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.008 -7.527 -15.737 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.923 -7.284 -18.197 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.534 -6.891 -17.550 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.429 -5.585 -18.039 1.00 0.00 H new ATOM 607 N VAL A 43 -0.151 -4.882 -16.355 1.00 0.00 N ATOM 608 CA VAL A 43 1.225 -4.403 -16.408 1.00 0.00 C ATOM 609 C VAL A 43 1.439 -3.238 -15.449 1.00 0.00 C ATOM 610 O VAL A 43 0.495 -2.748 -14.830 1.00 0.00 O ATOM 611 CB VAL A 43 1.611 -3.960 -17.832 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.470 -5.117 -18.808 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.763 -2.775 -18.269 1.00 0.00 C ATOM 0 H VAL A 43 -0.856 -4.148 -16.425 1.00 0.00 H new ATOM 0 HA VAL A 43 1.862 -5.236 -16.110 1.00 0.00 H new ATOM 0 HB VAL A 43 2.655 -3.647 -17.826 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.747 -4.785 -19.809 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.125 -5.933 -18.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.437 -5.464 -18.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.049 -2.475 -19.277 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.290 -3.058 -18.259 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.921 -1.942 -17.584 1.00 0.00 H new ATOM 623 N GLY A 44 2.688 -2.796 -15.331 1.00 0.00 N ATOM 624 CA GLY A 44 3.004 -1.691 -14.446 1.00 0.00 C ATOM 625 C GLY A 44 4.197 -0.888 -14.923 1.00 0.00 C ATOM 626 O GLY A 44 4.787 -1.197 -15.959 1.00 0.00 O ATOM 0 H GLY A 44 3.486 -3.184 -15.833 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.137 -1.035 -14.366 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.206 -2.076 -13.447 1.00 0.00 H new ATOM 630 N ARG A 45 4.554 0.146 -14.168 1.00 0.00 N ATOM 631 CA ARG A 45 5.683 0.997 -14.522 1.00 0.00 C ATOM 632 C ARG A 45 6.614 1.189 -13.328 1.00 0.00 C ATOM 633 O ARG A 45 6.284 0.815 -12.203 1.00 0.00 O ATOM 634 CB ARG A 45 5.189 2.356 -15.020 1.00 0.00 C ATOM 635 CG ARG A 45 4.693 2.334 -16.457 1.00 0.00 C ATOM 636 CD ARG A 45 4.916 3.673 -17.144 1.00 0.00 C ATOM 637 NE ARG A 45 6.313 3.868 -17.521 1.00 0.00 N ATOM 638 CZ ARG A 45 6.846 3.391 -18.640 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.102 2.694 -19.487 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.126 3.611 -18.913 1.00 0.00 N ATOM 0 H ARG A 45 4.077 0.414 -13.307 1.00 0.00 H new ATOM 0 HA ARG A 45 6.239 0.506 -15.320 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.383 2.700 -14.372 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.998 3.081 -14.935 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.210 1.550 -17.010 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.631 2.088 -16.473 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.289 3.733 -18.033 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.604 4.478 -16.479 1.00 0.00 H new ATOM 0 HE ARG A 45 6.913 4.400 -16.890 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.118 2.523 -19.280 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.513 2.329 -20.346 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.701 4.147 -18.263 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.534 3.244 -19.773 1.00 0.00 H new ATOM 654 N LYS A 46 7.780 1.775 -13.581 1.00 0.00 N ATOM 655 CA LYS A 46 8.759 2.018 -12.529 1.00 0.00 C ATOM 656 C LYS A 46 8.186 2.936 -11.454 1.00 0.00 C ATOM 657 O LYS A 46 8.227 2.619 -10.265 1.00 0.00 O ATOM 658 CB LYS A 46 10.029 2.636 -13.119 1.00 0.00 C ATOM 659 CG LYS A 46 11.294 2.263 -12.365 1.00 0.00 C ATOM 660 CD LYS A 46 11.578 3.238 -11.235 1.00 0.00 C ATOM 661 CE LYS A 46 12.408 2.593 -10.136 1.00 0.00 C ATOM 662 NZ LYS A 46 13.851 2.527 -10.497 1.00 0.00 N ATOM 0 H LYS A 46 8.070 2.090 -14.507 1.00 0.00 H new ATOM 0 HA LYS A 46 9.007 1.061 -12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.128 2.320 -14.157 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.926 3.721 -13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.194 1.256 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.138 2.248 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.105 4.107 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.637 3.597 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.290 3.159 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.036 1.587 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.383 2.081 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.966 1.965 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.213 3.489 -10.657 1.00 0.00 H new ATOM 676 N THR A 47 7.651 4.077 -11.880 1.00 0.00 N ATOM 677 CA THR A 47 7.070 5.041 -10.954 1.00 0.00 C ATOM 678 C THR A 47 5.600 5.291 -11.273 1.00 0.00 C ATOM 679 O THR A 47 5.031 4.656 -12.161 1.00 0.00 O ATOM 680 CB THR A 47 7.827 6.381 -10.990 1.00 0.00 C ATOM 681 OG1 THR A 47 8.082 6.764 -12.347 1.00 0.00 O ATOM 682 CG2 THR A 47 9.142 6.281 -10.231 1.00 0.00 C ATOM 0 H THR A 47 7.608 4.355 -12.860 1.00 0.00 H new ATOM 0 HA THR A 47 7.155 4.612 -9.956 1.00 0.00 H new ATOM 0 HB THR A 47 7.205 7.137 -10.510 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.562 7.618 -12.361 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.659 7.240 -10.271 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.943 6.018 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.767 5.513 -10.686 1.00 0.00 H new ATOM 690 N ILE A 48 4.992 6.221 -10.544 1.00 0.00 N ATOM 691 CA ILE A 48 3.589 6.556 -10.751 1.00 0.00 C ATOM 692 C ILE A 48 3.414 7.467 -11.961 1.00 0.00 C ATOM 693 O ILE A 48 2.604 7.191 -12.846 1.00 0.00 O ATOM 694 CB ILE A 48 2.986 7.245 -9.512 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.448 6.541 -8.235 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.467 7.255 -9.598 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.048 7.264 -6.968 1.00 0.00 C ATOM 0 H ILE A 48 5.449 6.755 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 48 3.063 5.618 -10.927 1.00 0.00 H new ATOM 0 HB ILE A 48 3.335 8.277 -9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.033 5.533 -8.215 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.533 6.439 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.056 7.745 -8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.157 7.797 -10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.099 6.230 -9.649 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.409 6.708 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.485 8.263 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.962 7.343 -6.922 1.00 0.00 H new ATOM 709 N GLU A 49 4.181 8.553 -11.993 1.00 0.00 N ATOM 710 CA GLU A 49 4.111 9.504 -13.096 1.00 0.00 C ATOM 711 C GLU A 49 3.860 8.786 -14.419 1.00 0.00 C ATOM 712 O GLU A 49 2.925 9.114 -15.148 1.00 0.00 O ATOM 713 CB GLU A 49 5.405 10.316 -13.181 1.00 0.00 C ATOM 714 CG GLU A 49 5.543 11.357 -12.084 1.00 0.00 C ATOM 715 CD GLU A 49 4.656 12.566 -12.310 1.00 0.00 C ATOM 716 OE1 GLU A 49 3.522 12.386 -12.801 1.00 0.00 O ATOM 717 OE2 GLU A 49 5.097 13.692 -11.997 1.00 0.00 O ATOM 0 H GLU A 49 4.857 8.795 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 49 3.278 10.181 -12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.255 9.635 -13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.449 10.813 -14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.294 10.903 -11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.582 11.680 -12.024 1.00 0.00 H new ATOM 724 N GLY A 50 4.703 7.804 -14.722 1.00 0.00 N ATOM 725 CA GLY A 50 4.557 7.055 -15.956 1.00 0.00 C ATOM 726 C GLY A 50 3.237 6.314 -16.032 1.00 0.00 C ATOM 727 O GLY A 50 2.610 6.255 -17.091 1.00 0.00 O ATOM 0 H GLY A 50 5.485 7.514 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.637 7.737 -16.803 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.376 6.341 -16.043 1.00 0.00 H new ATOM 731 N LEU A 51 2.813 5.746 -14.908 1.00 0.00 N ATOM 732 CA LEU A 51 1.559 5.004 -14.852 1.00 0.00 C ATOM 733 C LEU A 51 0.376 5.908 -15.181 1.00 0.00 C ATOM 734 O LEU A 51 -0.445 5.587 -16.041 1.00 0.00 O ATOM 735 CB LEU A 51 1.372 4.385 -13.466 1.00 0.00 C ATOM 736 CG LEU A 51 -0.052 3.958 -13.108 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.332 2.553 -13.617 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.269 4.035 -11.603 1.00 0.00 C ATOM 0 H LEU A 51 3.319 5.785 -14.024 1.00 0.00 H new ATOM 0 HA LEU A 51 1.603 4.209 -15.596 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.022 3.513 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.713 5.103 -12.720 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.749 4.643 -13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.350 2.266 -13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.218 2.529 -14.701 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.371 1.855 -13.163 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.288 3.728 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.436 3.374 -11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.111 5.059 -11.265 1.00 0.00 H new ATOM 750 N LYS A 52 0.295 7.042 -14.493 1.00 0.00 N ATOM 751 CA LYS A 52 -0.786 7.996 -14.714 1.00 0.00 C ATOM 752 C LYS A 52 -1.084 8.145 -16.202 1.00 0.00 C ATOM 753 O LYS A 52 -2.241 8.108 -16.621 1.00 0.00 O ATOM 754 CB LYS A 52 -0.422 9.357 -14.116 1.00 0.00 C ATOM 755 CG LYS A 52 -0.883 9.534 -12.680 1.00 0.00 C ATOM 756 CD LYS A 52 0.000 10.516 -11.928 1.00 0.00 C ATOM 757 CE LYS A 52 -0.106 10.321 -10.423 1.00 0.00 C ATOM 758 NZ LYS A 52 0.389 11.509 -9.674 1.00 0.00 N ATOM 0 H LYS A 52 0.965 7.323 -13.777 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.680 7.616 -14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.659 9.486 -14.160 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.862 10.143 -14.729 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.914 9.888 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.871 8.570 -12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.036 10.388 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.287 11.536 -12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.145 10.129 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.467 9.442 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.942 11.195 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.991 12.085 -10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.420 12.078 -9.351 1.00 0.00 H new ATOM 772 N LYS A 53 -0.033 8.313 -16.998 1.00 0.00 N ATOM 773 CA LYS A 53 -0.181 8.466 -18.440 1.00 0.00 C ATOM 774 C LYS A 53 -0.804 7.217 -19.058 1.00 0.00 C ATOM 775 O LYS A 53 -1.548 7.302 -20.035 1.00 0.00 O ATOM 776 CB LYS A 53 1.178 8.744 -19.086 1.00 0.00 C ATOM 777 CG LYS A 53 1.683 10.158 -18.855 1.00 0.00 C ATOM 778 CD LYS A 53 2.479 10.261 -17.565 1.00 0.00 C ATOM 779 CE LYS A 53 3.196 11.598 -17.458 1.00 0.00 C ATOM 780 NZ LYS A 53 4.294 11.720 -18.457 1.00 0.00 N ATOM 0 H LYS A 53 0.931 8.347 -16.668 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.844 9.311 -18.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.909 8.037 -18.693 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.105 8.564 -20.159 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.307 10.464 -19.694 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.838 10.846 -18.818 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.811 10.136 -16.713 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.208 9.452 -17.520 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.480 12.407 -17.605 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.604 11.712 -16.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.914 12.514 -18.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.847 10.840 -18.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.889 11.892 -19.399 1.00 0.00 H new ATOM 794 N HIS A 54 -0.495 6.060 -18.481 1.00 0.00 N ATOM 795 CA HIS A 54 -1.027 4.795 -18.974 1.00 0.00 C ATOM 796 C HIS A 54 -2.513 4.668 -18.654 1.00 0.00 C ATOM 797 O HIS A 54 -3.334 4.454 -19.546 1.00 0.00 O ATOM 798 CB HIS A 54 -0.259 3.622 -18.362 1.00 0.00 C ATOM 799 CG HIS A 54 -0.843 2.284 -18.697 1.00 0.00 C ATOM 800 ND1 HIS A 54 -2.026 1.724 -18.355 1.00 0.00 N flip ATOM 801 CD2 HIS A 54 -0.190 1.351 -19.475 1.00 0.00 C flip ATOM 802 CE1 HIS A 54 -2.066 0.475 -18.926 1.00 0.00 C flip ATOM 803 NE2 HIS A 54 -0.946 0.275 -19.597 1.00 0.00 N flip ATOM 0 H HIS A 54 0.120 5.973 -17.672 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.904 4.775 -20.057 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.774 3.655 -18.707 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.237 3.739 -17.278 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.787 1.480 -19.916 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.881 -0.229 -18.840 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.706 -0.567 -20.120 1.00 0.00 H new ATOM 811 N MET A 55 -2.851 4.800 -17.376 1.00 0.00 N ATOM 812 CA MET A 55 -4.239 4.700 -16.939 1.00 0.00 C ATOM 813 C MET A 55 -5.086 5.805 -17.563 1.00 0.00 C ATOM 814 O MET A 55 -6.296 5.653 -17.726 1.00 0.00 O ATOM 815 CB MET A 55 -4.323 4.778 -15.413 1.00 0.00 C ATOM 816 CG MET A 55 -3.794 6.083 -14.841 1.00 0.00 C ATOM 817 SD MET A 55 -4.627 6.561 -13.315 1.00 0.00 S ATOM 818 CE MET A 55 -4.556 5.025 -12.396 1.00 0.00 C ATOM 0 H MET A 55 -2.184 4.976 -16.625 1.00 0.00 H new ATOM 0 HA MET A 55 -4.629 3.737 -17.268 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.362 4.652 -15.108 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.761 3.948 -14.984 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.725 5.985 -14.652 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.916 6.875 -15.580 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.765 5.220 -11.344 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.297 4.330 -12.791 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.562 4.588 -12.493 1.00 0.00 H new ATOM 828 N GLU A 56 -4.442 6.915 -17.909 1.00 0.00 N ATOM 829 CA GLU A 56 -5.138 8.044 -18.514 1.00 0.00 C ATOM 830 C GLU A 56 -5.998 7.587 -19.689 1.00 0.00 C ATOM 831 O GLU A 56 -7.166 7.956 -19.797 1.00 0.00 O ATOM 832 CB GLU A 56 -4.134 9.099 -18.982 1.00 0.00 C ATOM 833 CG GLU A 56 -3.763 10.107 -17.906 1.00 0.00 C ATOM 834 CD GLU A 56 -4.671 11.321 -17.906 1.00 0.00 C ATOM 835 OE1 GLU A 56 -5.906 11.138 -17.859 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.148 12.454 -17.954 1.00 0.00 O ATOM 0 H GLU A 56 -3.440 7.056 -17.781 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.790 8.483 -17.759 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.229 8.599 -19.327 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.551 9.630 -19.838 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.808 9.624 -16.930 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.732 10.429 -18.055 1.00 0.00 H new ATOM 958 N THR A 64 -21.403 -4.376 -19.634 1.00 0.00 N ATOM 959 CA THR A 64 -22.628 -5.129 -19.401 1.00 0.00 C ATOM 960 C THR A 64 -22.664 -6.396 -20.247 1.00 0.00 C ATOM 961 O THR A 64 -22.668 -6.335 -21.477 1.00 0.00 O ATOM 962 CB THR A 64 -23.876 -4.281 -19.713 1.00 0.00 C ATOM 963 OG1 THR A 64 -23.843 -3.064 -18.960 1.00 0.00 O ATOM 964 CG2 THR A 64 -25.148 -5.050 -19.387 1.00 0.00 C ATOM 0 HA THR A 64 -22.636 -5.400 -18.345 1.00 0.00 H new ATOM 0 HB THR A 64 -23.873 -4.049 -20.778 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.912 -2.794 -18.815 1.00 0.00 H new ATOM 0 HG21 THR A 64 -26.016 -4.431 -19.615 1.00 0.00 H new ATOM 0 HG22 THR A 64 -25.185 -5.962 -19.984 1.00 0.00 H new ATOM 0 HG23 THR A 64 -25.155 -5.309 -18.328 1.00 0.00 H new ATOM 972 N CYS A 65 -22.691 -7.546 -19.581 1.00 0.00 N ATOM 973 CA CYS A 65 -22.727 -8.830 -20.271 1.00 0.00 C ATOM 974 C CYS A 65 -23.924 -8.907 -21.214 1.00 0.00 C ATOM 975 O CYS A 65 -24.881 -8.143 -21.084 1.00 0.00 O ATOM 976 CB CYS A 65 -22.787 -9.975 -19.258 1.00 0.00 C ATOM 977 SG CYS A 65 -23.001 -11.621 -20.010 1.00 0.00 S ATOM 0 H CYS A 65 -22.689 -7.615 -18.563 1.00 0.00 H new ATOM 0 HA CYS A 65 -21.815 -8.923 -20.861 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -21.870 -9.973 -18.668 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -23.611 -9.793 -18.568 1.00 0.00 H new ATOM 0 HG CYS A 65 -21.851 -12.225 -20.067 1.00 0.00 H new ATOM 982 N HIS A 66 -23.863 -9.835 -22.164 1.00 0.00 N ATOM 983 CA HIS A 66 -24.942 -10.013 -23.129 1.00 0.00 C ATOM 984 C HIS A 66 -25.699 -11.311 -22.864 1.00 0.00 C ATOM 985 O HIS A 66 -26.912 -11.387 -23.065 1.00 0.00 O ATOM 986 CB HIS A 66 -24.386 -10.015 -24.553 1.00 0.00 C ATOM 987 CG HIS A 66 -24.129 -8.643 -25.097 1.00 0.00 C ATOM 988 ND1 HIS A 66 -25.049 -7.619 -25.022 1.00 0.00 N ATOM 989 CD2 HIS A 66 -23.047 -8.129 -25.727 1.00 0.00 C ATOM 990 CE1 HIS A 66 -24.545 -6.534 -25.583 1.00 0.00 C ATOM 991 NE2 HIS A 66 -23.330 -6.817 -26.018 1.00 0.00 N ATOM 0 H HIS A 66 -23.078 -10.475 -22.286 1.00 0.00 H new ATOM 0 HA HIS A 66 -25.636 -9.179 -23.019 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -23.456 -10.584 -24.571 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -25.088 -10.531 -25.208 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -22.131 -8.653 -25.958 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -25.041 -5.579 -25.671 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -22.704 -6.167 -26.493 1.00 0.00 H new ATOM 999 N HIS A 67 -24.976 -12.331 -22.412 1.00 0.00 N ATOM 1000 CA HIS A 67 -25.579 -13.626 -22.120 1.00 0.00 C ATOM 1001 C HIS A 67 -26.647 -13.496 -21.037 1.00 0.00 C ATOM 1002 O HIS A 67 -27.763 -13.993 -21.189 1.00 0.00 O ATOM 1003 CB HIS A 67 -24.508 -14.624 -21.679 1.00 0.00 C ATOM 1004 CG HIS A 67 -23.767 -15.250 -22.821 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -24.207 -16.383 -23.472 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -22.610 -14.895 -23.427 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -23.353 -16.698 -24.429 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -22.374 -15.810 -24.423 1.00 0.00 N ATOM 0 H HIS A 67 -23.972 -12.285 -22.240 1.00 0.00 H new ATOM 0 HA HIS A 67 -26.052 -13.992 -23.031 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -23.796 -14.116 -21.029 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -24.977 -15.410 -21.086 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -21.988 -14.049 -23.174 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -23.440 -17.538 -25.102 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -21.574 -15.805 -25.055 1.00 0.00 H new ATOM 1016 N CYS A 68 -26.296 -12.827 -19.945 1.00 0.00 N ATOM 1017 CA CYS A 68 -27.222 -12.632 -18.836 1.00 0.00 C ATOM 1018 C CYS A 68 -27.599 -11.161 -18.693 1.00 0.00 C ATOM 1019 O CYS A 68 -28.768 -10.823 -18.516 1.00 0.00 O ATOM 1020 CB CYS A 68 -26.603 -13.140 -17.532 1.00 0.00 C ATOM 1021 SG CYS A 68 -25.125 -12.217 -17.001 1.00 0.00 S ATOM 0 H CYS A 68 -25.376 -12.410 -19.804 1.00 0.00 H new ATOM 0 HA CYS A 68 -28.127 -13.201 -19.047 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -27.353 -13.089 -16.743 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -26.338 -14.190 -17.653 1.00 0.00 H new ATOM 0 HG CYS A 68 -24.360 -11.994 -18.028 1.00 0.00 H new ATOM 1026 N GLY A 69 -26.598 -10.289 -18.772 1.00 0.00 N ATOM 1027 CA GLY A 69 -26.844 -8.864 -18.650 1.00 0.00 C ATOM 1028 C GLY A 69 -26.326 -8.296 -17.344 1.00 0.00 C ATOM 1029 O GLY A 69 -26.843 -7.296 -16.844 1.00 0.00 O ATOM 0 H GLY A 69 -25.621 -10.544 -18.918 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -26.370 -8.344 -19.482 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -27.915 -8.676 -18.725 1.00 0.00 H new ATOM 1033 N LYS A 70 -25.304 -8.935 -16.787 1.00 0.00 N ATOM 1034 CA LYS A 70 -24.715 -8.489 -15.530 1.00 0.00 C ATOM 1035 C LYS A 70 -24.091 -7.105 -15.682 1.00 0.00 C ATOM 1036 O LYS A 70 -23.682 -6.716 -16.776 1.00 0.00 O ATOM 1037 CB LYS A 70 -23.657 -9.487 -15.055 1.00 0.00 C ATOM 1038 CG LYS A 70 -23.541 -9.579 -13.544 1.00 0.00 C ATOM 1039 CD LYS A 70 -22.287 -10.327 -13.125 1.00 0.00 C ATOM 1040 CE LYS A 70 -22.232 -10.523 -11.617 1.00 0.00 C ATOM 1041 NZ LYS A 70 -22.913 -11.779 -11.196 1.00 0.00 N ATOM 0 H LYS A 70 -24.865 -9.765 -17.187 1.00 0.00 H new ATOM 0 HA LYS A 70 -25.510 -8.431 -14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -23.896 -10.473 -15.453 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -22.690 -9.202 -15.468 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.527 -8.576 -13.118 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.419 -10.084 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.258 -11.298 -13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.406 -9.775 -13.454 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.192 -10.547 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.701 -9.672 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.854 -11.876 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.912 -11.746 -11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.450 -12.593 -11.647 1.00 0.00 H new ATOM 1055 N GLN A 71 -24.020 -6.368 -14.578 1.00 0.00 N ATOM 1056 CA GLN A 71 -23.445 -5.028 -14.590 1.00 0.00 C ATOM 1057 C GLN A 71 -22.489 -4.836 -13.418 1.00 0.00 C ATOM 1058 O GLN A 71 -22.917 -4.630 -12.281 1.00 0.00 O ATOM 1059 CB GLN A 71 -24.552 -3.975 -14.539 1.00 0.00 C ATOM 1060 CG GLN A 71 -25.184 -3.690 -15.893 1.00 0.00 C ATOM 1061 CD GLN A 71 -25.769 -2.294 -15.982 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -26.808 -2.005 -15.387 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -25.104 -1.420 -16.727 1.00 0.00 N ATOM 0 H GLN A 71 -24.353 -6.676 -13.665 1.00 0.00 H new ATOM 0 HA GLN A 71 -22.883 -4.909 -15.516 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -25.327 -4.308 -13.848 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -24.143 -3.049 -14.136 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -24.434 -3.816 -16.674 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -25.969 -4.422 -16.085 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -24.247 -1.703 -17.202 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -25.450 -0.465 -16.824 1.00 0.00 H new ATOM 1072 N LEU A 72 -21.193 -4.903 -13.700 1.00 0.00 N ATOM 1073 CA LEU A 72 -20.175 -4.736 -12.669 1.00 0.00 C ATOM 1074 C LEU A 72 -19.266 -3.554 -12.987 1.00 0.00 C ATOM 1075 O LEU A 72 -19.283 -3.027 -14.099 1.00 0.00 O ATOM 1076 CB LEU A 72 -19.342 -6.013 -12.535 1.00 0.00 C ATOM 1077 CG LEU A 72 -20.103 -7.269 -12.108 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -19.416 -8.516 -12.642 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -20.222 -7.331 -10.592 1.00 0.00 C ATOM 0 H LEU A 72 -20.822 -5.072 -14.635 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.680 -4.538 -11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.861 -6.212 -13.493 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.547 -5.830 -11.812 1.00 0.00 H new ATOM 0 HG LEU A 72 -21.107 -7.223 -12.530 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.971 -9.400 -12.328 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.383 -8.475 -13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.400 -8.568 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -20.766 -8.231 -10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.226 -7.353 -10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -20.759 -6.453 -10.233 1.00 0.00 H new ATOM 1091 N ARG A 73 -18.472 -3.143 -12.003 1.00 0.00 N ATOM 1092 CA ARG A 73 -17.555 -2.023 -12.179 1.00 0.00 C ATOM 1093 C ARG A 73 -16.209 -2.501 -12.716 1.00 0.00 C ATOM 1094 O ARG A 73 -15.724 -2.006 -13.733 1.00 0.00 O ATOM 1095 CB ARG A 73 -17.354 -1.288 -10.852 1.00 0.00 C ATOM 1096 CG ARG A 73 -16.771 0.107 -11.011 1.00 0.00 C ATOM 1097 CD ARG A 73 -15.258 0.099 -10.855 1.00 0.00 C ATOM 1098 NE ARG A 73 -14.676 1.416 -11.100 1.00 0.00 N ATOM 1099 CZ ARG A 73 -14.341 1.859 -12.306 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -14.530 1.094 -13.373 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -13.817 3.069 -12.448 1.00 0.00 N ATOM 0 H ARG A 73 -18.445 -3.569 -11.076 1.00 0.00 H new ATOM 0 HA ARG A 73 -17.994 -1.338 -12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.312 -1.216 -10.338 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.694 -1.878 -10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.035 0.503 -11.992 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.211 0.773 -10.269 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.999 -0.230 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.826 -0.623 -11.548 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.518 2.029 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.934 0.163 -13.268 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.272 1.437 -14.298 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.671 3.661 -11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.560 3.408 -13.375 1.00 0.00 H new ATOM 1115 N SER A 74 -15.612 -3.467 -12.026 1.00 0.00 N ATOM 1116 CA SER A 74 -14.320 -4.010 -12.431 1.00 0.00 C ATOM 1117 C SER A 74 -14.496 -5.113 -13.471 1.00 0.00 C ATOM 1118 O SER A 74 -15.273 -6.048 -13.275 1.00 0.00 O ATOM 1119 CB SER A 74 -13.568 -4.555 -11.216 1.00 0.00 C ATOM 1120 OG SER A 74 -14.148 -5.764 -10.757 1.00 0.00 O ATOM 0 H SER A 74 -16.002 -3.890 -11.184 1.00 0.00 H new ATOM 0 HA SER A 74 -13.739 -3.203 -12.877 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.524 -4.725 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.580 -3.815 -10.415 1.00 0.00 H new ATOM 0 HG SER A 74 -14.737 -6.128 -11.450 1.00 0.00 H new ATOM 1126 N LEU A 75 -13.770 -4.995 -14.577 1.00 0.00 N ATOM 1127 CA LEU A 75 -13.844 -5.982 -15.649 1.00 0.00 C ATOM 1128 C LEU A 75 -13.566 -7.384 -15.119 1.00 0.00 C ATOM 1129 O LEU A 75 -14.390 -8.287 -15.261 1.00 0.00 O ATOM 1130 CB LEU A 75 -12.848 -5.636 -16.757 1.00 0.00 C ATOM 1131 CG LEU A 75 -12.857 -6.555 -17.979 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -14.206 -6.499 -18.679 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -11.739 -6.176 -18.940 1.00 0.00 C ATOM 0 H LEU A 75 -13.124 -4.226 -14.755 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.854 -5.963 -16.058 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.047 -4.618 -17.092 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.845 -5.641 -16.331 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.688 -7.578 -17.642 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.194 -7.159 -19.546 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.987 -6.820 -17.990 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.405 -5.478 -19.003 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.761 -6.841 -19.804 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.877 -5.147 -19.271 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.778 -6.269 -18.435 1.00 0.00 H new ATOM 1145 N ALA A 76 -12.400 -7.559 -14.506 1.00 0.00 N ATOM 1146 CA ALA A 76 -12.015 -8.851 -13.951 1.00 0.00 C ATOM 1147 C ALA A 76 -13.207 -9.548 -13.304 1.00 0.00 C ATOM 1148 O ALA A 76 -13.598 -10.640 -13.713 1.00 0.00 O ATOM 1149 CB ALA A 76 -10.891 -8.677 -12.940 1.00 0.00 C ATOM 0 H ALA A 76 -11.706 -6.822 -14.381 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.660 -9.479 -14.769 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.613 -9.650 -12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.027 -8.229 -13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.226 -8.028 -12.131 1.00 0.00 H new ATOM 1155 N GLY A 77 -13.781 -8.908 -12.289 1.00 0.00 N ATOM 1156 CA GLY A 77 -14.923 -9.482 -11.601 1.00 0.00 C ATOM 1157 C GLY A 77 -15.967 -10.020 -12.559 1.00 0.00 C ATOM 1158 O GLY A 77 -16.522 -11.097 -12.343 1.00 0.00 O ATOM 0 H GLY A 77 -13.476 -8.003 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.583 -10.287 -10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.377 -8.724 -10.962 1.00 0.00 H new ATOM 1162 N MET A 78 -16.237 -9.267 -13.621 1.00 0.00 N ATOM 1163 CA MET A 78 -17.223 -9.674 -14.615 1.00 0.00 C ATOM 1164 C MET A 78 -16.707 -10.846 -15.444 1.00 0.00 C ATOM 1165 O MET A 78 -17.294 -11.928 -15.441 1.00 0.00 O ATOM 1166 CB MET A 78 -17.569 -8.499 -15.532 1.00 0.00 C ATOM 1167 CG MET A 78 -18.297 -8.913 -16.801 1.00 0.00 C ATOM 1168 SD MET A 78 -18.437 -7.566 -17.992 1.00 0.00 S ATOM 1169 CE MET A 78 -19.892 -6.721 -17.376 1.00 0.00 C ATOM 0 H MET A 78 -15.787 -8.372 -13.815 1.00 0.00 H new ATOM 0 HA MET A 78 -18.123 -9.992 -14.089 1.00 0.00 H new ATOM 0 HB2 MET A 78 -18.188 -7.790 -14.983 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.651 -7.978 -15.803 1.00 0.00 H new ATOM 0 HG2 MET A 78 -17.769 -9.747 -17.262 1.00 0.00 H new ATOM 0 HG3 MET A 78 -19.294 -9.270 -16.543 1.00 0.00 H new ATOM 0 HE1 MET A 78 -20.622 -6.621 -18.179 1.00 0.00 H new ATOM 0 HE2 MET A 78 -20.328 -7.296 -16.559 1.00 0.00 H new ATOM 0 HE3 MET A 78 -19.612 -5.731 -17.015 1.00 0.00 H new ATOM 1179 N LYS A 79 -15.606 -10.624 -16.154 1.00 0.00 N ATOM 1180 CA LYS A 79 -15.009 -11.661 -16.987 1.00 0.00 C ATOM 1181 C LYS A 79 -15.040 -13.012 -16.279 1.00 0.00 C ATOM 1182 O LYS A 79 -15.068 -14.061 -16.923 1.00 0.00 O ATOM 1183 CB LYS A 79 -13.567 -11.292 -17.342 1.00 0.00 C ATOM 1184 CG LYS A 79 -13.460 -10.240 -18.432 1.00 0.00 C ATOM 1185 CD LYS A 79 -12.066 -10.203 -19.036 1.00 0.00 C ATOM 1186 CE LYS A 79 -11.909 -11.238 -20.139 1.00 0.00 C ATOM 1187 NZ LYS A 79 -11.552 -12.578 -19.596 1.00 0.00 N ATOM 0 H LYS A 79 -15.108 -9.734 -16.169 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.594 -11.737 -17.904 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.063 -10.928 -16.447 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -13.039 -12.190 -17.662 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.191 -10.449 -19.213 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.705 -9.261 -18.020 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.869 -9.209 -19.437 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.326 -10.385 -18.257 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.839 -11.311 -20.704 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.137 -10.911 -20.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.952 -13.081 -20.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.035 -12.463 -18.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.419 -13.126 -19.427 1.00 0.00 H new ATOM 1201 N TYR A 80 -15.036 -12.979 -14.951 1.00 0.00 N ATOM 1202 CA TYR A 80 -15.063 -14.201 -14.156 1.00 0.00 C ATOM 1203 C TYR A 80 -16.482 -14.750 -14.049 1.00 0.00 C ATOM 1204 O TYR A 80 -16.694 -15.963 -14.074 1.00 0.00 O ATOM 1205 CB TYR A 80 -14.499 -13.937 -12.758 1.00 0.00 C ATOM 1206 CG TYR A 80 -14.018 -15.186 -12.055 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -14.918 -16.078 -11.485 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -12.662 -15.474 -11.960 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -14.482 -17.219 -10.841 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -12.217 -16.614 -11.318 1.00 0.00 C ATOM 1211 CZ TYR A 80 -13.131 -17.483 -10.760 1.00 0.00 C ATOM 1212 OH TYR A 80 -12.693 -18.620 -10.120 1.00 0.00 O ATOM 0 H TYR A 80 -15.014 -12.119 -14.402 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.442 -14.944 -14.657 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.671 -13.232 -12.836 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -15.267 -13.460 -12.149 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -15.977 -15.875 -11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.943 -14.795 -12.395 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.196 -17.901 -10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.159 -16.823 -11.254 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.714 -18.657 -10.153 1.00 0.00 H new ATOM 1222 N HIS A 81 -17.451 -13.849 -13.930 1.00 0.00 N ATOM 1223 CA HIS A 81 -18.852 -14.242 -13.820 1.00 0.00 C ATOM 1224 C HIS A 81 -19.245 -15.175 -14.962 1.00 0.00 C ATOM 1225 O HIS A 81 -20.008 -16.122 -14.768 1.00 0.00 O ATOM 1226 CB HIS A 81 -19.752 -13.006 -13.823 1.00 0.00 C ATOM 1227 CG HIS A 81 -20.212 -12.603 -15.191 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -19.805 -11.439 -15.809 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -21.047 -13.218 -16.061 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -20.372 -11.355 -16.999 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -21.130 -12.422 -17.177 1.00 0.00 N ATOM 0 H HIS A 81 -17.293 -12.842 -13.907 1.00 0.00 H new ATOM 0 HA HIS A 81 -18.982 -14.774 -12.878 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -20.624 -13.200 -13.198 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -19.214 -12.174 -13.370 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -21.554 -14.159 -15.906 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -20.238 -10.550 -17.707 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -21.686 -12.622 -18.008 1.00 0.00 H new ATOM 1239 N VAL A 82 -18.721 -14.901 -16.152 1.00 0.00 N ATOM 1240 CA VAL A 82 -19.017 -15.716 -17.324 1.00 0.00 C ATOM 1241 C VAL A 82 -18.496 -17.138 -17.150 1.00 0.00 C ATOM 1242 O VAL A 82 -19.209 -18.107 -17.411 1.00 0.00 O ATOM 1243 CB VAL A 82 -18.403 -15.108 -18.599 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -18.757 -15.950 -19.816 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -18.867 -13.671 -18.781 1.00 0.00 C ATOM 0 H VAL A 82 -18.089 -14.120 -16.330 1.00 0.00 H new ATOM 0 HA VAL A 82 -20.102 -15.740 -17.428 1.00 0.00 H new ATOM 0 HB VAL A 82 -17.318 -15.104 -18.493 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.315 -15.505 -20.707 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -18.370 -16.960 -19.684 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.840 -15.988 -19.929 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.423 -13.257 -19.687 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -19.953 -13.647 -18.866 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -18.557 -13.077 -17.921 1.00 0.00 H new ATOM 1255 N MET A 83 -17.248 -17.255 -16.708 1.00 0.00 N ATOM 1256 CA MET A 83 -16.632 -18.560 -16.497 1.00 0.00 C ATOM 1257 C MET A 83 -17.244 -19.262 -15.289 1.00 0.00 C ATOM 1258 O MET A 83 -16.987 -20.441 -15.048 1.00 0.00 O ATOM 1259 CB MET A 83 -15.122 -18.410 -16.304 1.00 0.00 C ATOM 1260 CG MET A 83 -14.396 -17.921 -17.546 1.00 0.00 C ATOM 1261 SD MET A 83 -12.622 -17.733 -17.285 1.00 0.00 S ATOM 1262 CE MET A 83 -12.532 -16.010 -16.802 1.00 0.00 C ATOM 0 H MET A 83 -16.644 -16.463 -16.489 1.00 0.00 H new ATOM 0 HA MET A 83 -16.819 -19.169 -17.381 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.936 -17.713 -15.487 1.00 0.00 H new ATOM 0 HB3 MET A 83 -14.705 -19.372 -16.004 1.00 0.00 H new ATOM 0 HG2 MET A 83 -14.567 -18.623 -18.362 1.00 0.00 H new ATOM 0 HG3 MET A 83 -14.817 -16.964 -17.855 1.00 0.00 H new ATOM 0 HE1 MET A 83 -11.499 -15.668 -16.864 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.153 -15.412 -17.469 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.890 -15.900 -15.778 1.00 0.00 H new ATOM 1272 N ALA A 84 -18.054 -18.529 -14.532 1.00 0.00 N ATOM 1273 CA ALA A 84 -18.704 -19.082 -13.350 1.00 0.00 C ATOM 1274 C ALA A 84 -20.104 -19.589 -13.680 1.00 0.00 C ATOM 1275 O ALA A 84 -20.409 -20.765 -13.486 1.00 0.00 O ATOM 1276 CB ALA A 84 -18.766 -18.038 -12.245 1.00 0.00 C ATOM 0 H ALA A 84 -18.276 -17.551 -14.716 1.00 0.00 H new ATOM 0 HA ALA A 84 -18.112 -19.929 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -19.254 -18.464 -11.368 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -17.755 -17.726 -11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -19.334 -17.174 -12.592 1.00 0.00 H new ATOM 1282 N ASN A 85 -20.951 -18.694 -14.178 1.00 0.00 N ATOM 1283 CA ASN A 85 -22.319 -19.052 -14.533 1.00 0.00 C ATOM 1284 C ASN A 85 -22.380 -19.641 -15.939 1.00 0.00 C ATOM 1285 O ASN A 85 -22.896 -20.741 -16.141 1.00 0.00 O ATOM 1286 CB ASN A 85 -23.229 -17.825 -14.443 1.00 0.00 C ATOM 1287 CG ASN A 85 -22.515 -16.546 -14.835 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -22.184 -16.340 -16.003 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -22.275 -15.679 -13.858 1.00 0.00 N ATOM 0 H ASN A 85 -20.714 -17.716 -14.345 1.00 0.00 H new ATOM 0 HA ASN A 85 -22.665 -19.806 -13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -24.093 -17.969 -15.091 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -23.606 -17.730 -13.425 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -21.798 -14.800 -14.061 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -22.567 -15.892 -12.904 1.00 0.00 H new ATOM 1296 N HIS A 86 -21.849 -18.903 -16.908 1.00 0.00 N ATOM 1297 CA HIS A 86 -21.841 -19.352 -18.296 1.00 0.00 C ATOM 1298 C HIS A 86 -20.670 -20.295 -18.555 1.00 0.00 C ATOM 1299 O HIS A 86 -19.869 -20.070 -19.461 1.00 0.00 O ATOM 1300 CB HIS A 86 -21.765 -18.154 -19.242 1.00 0.00 C ATOM 1301 CG HIS A 86 -22.736 -17.063 -18.906 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -22.536 -15.750 -18.645 1.00 0.00 N flip ATOM 1303 CD2 HIS A 86 -24.095 -17.270 -18.806 1.00 0.00 C flip ATOM 1304 CE1 HIS A 86 -23.766 -15.193 -18.396 1.00 0.00 C flip ATOM 1305 NE2 HIS A 86 -24.690 -16.131 -18.500 1.00 0.00 N flip ATOM 0 H HIS A 86 -21.418 -17.991 -16.758 1.00 0.00 H new ATOM 0 HA HIS A 86 -22.769 -19.893 -18.482 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -20.754 -17.748 -19.221 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -21.951 -18.494 -20.261 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -24.595 -18.216 -18.955 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -23.948 -14.156 -18.154 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -25.693 -15.998 -18.367 1.00 0.00 H new