USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=18 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 110:sc= -2.08! USER MOD Set 1.2: A 68 CYS SG : rot -41:sc= -0.737 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -10! C(o=-15!,f=-15!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -2.27 K(o=-15,f=-14) USER MOD Set 2.1: A 64 THR OG1 : rot 35:sc= 0.292 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.4 K(o=0.69,f=-0.099) USER MOD Set 3.1: A 37 CYS SG : rot 162:sc= 0.436 USER MOD Set 3.2: A 40 CYS SG : rot -68:sc= 0.362 USER MOD Set 3.3: A 54 HIS : no HD1:sc= -0.665 K(o=0.13,f=1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.103 K(o=-0.1,f=-2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc=0.000702 (180deg=0) USER MOD Single : A 34 SER OG : rot -32:sc= 0.22 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= -0.23 (180deg=-1.28) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= -1.65 (180deg=-1.65) USER MOD Single : A 66 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.63) USER MOD Single : A 67 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.23) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0445 (180deg=-0.337) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 155:sc= -0.306 (180deg=-0.908) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -160:sc= -0.136 (180deg=-0.617) USER MOD Single : A 85 ASN : amide:sc= 0.057 X(o=0.057,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -3.856 9.942 -0.122 1.00 0.00 N ATOM 263 CA SER A 20 -4.200 9.948 -1.539 1.00 0.00 C ATOM 264 C SER A 20 -3.699 8.682 -2.226 1.00 0.00 C ATOM 265 O SER A 20 -2.857 7.961 -1.687 1.00 0.00 O ATOM 266 CB SER A 20 -3.609 11.182 -2.223 1.00 0.00 C ATOM 267 OG SER A 20 -4.338 12.350 -1.888 1.00 0.00 O ATOM 0 HA SER A 20 -5.286 9.979 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.567 11.302 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.618 11.042 -3.304 1.00 0.00 H new ATOM 0 HG SER A 20 -3.939 13.125 -2.337 1.00 0.00 H new ATOM 273 N LEU A 21 -4.221 8.417 -3.418 1.00 0.00 N ATOM 274 CA LEU A 21 -3.827 7.238 -4.181 1.00 0.00 C ATOM 275 C LEU A 21 -2.336 7.270 -4.503 1.00 0.00 C ATOM 276 O LEU A 21 -1.635 6.272 -4.339 1.00 0.00 O ATOM 277 CB LEU A 21 -4.638 7.149 -5.475 1.00 0.00 C ATOM 278 CG LEU A 21 -6.009 6.481 -5.363 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.819 6.712 -6.629 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.856 4.992 -5.089 1.00 0.00 C ATOM 0 H LEU A 21 -4.918 9.003 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.029 6.357 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.778 8.158 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.049 6.603 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.544 6.930 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.792 6.230 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.958 7.782 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.288 6.290 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.842 4.533 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.302 4.527 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.315 4.848 -4.154 1.00 0.00 H new ATOM 292 N GLU A 22 -1.859 8.424 -4.959 1.00 0.00 N ATOM 293 CA GLU A 22 -0.451 8.586 -5.302 1.00 0.00 C ATOM 294 C GLU A 22 0.443 7.950 -4.243 1.00 0.00 C ATOM 295 O GLU A 22 1.363 7.198 -4.563 1.00 0.00 O ATOM 296 CB GLU A 22 -0.107 10.069 -5.452 1.00 0.00 C ATOM 297 CG GLU A 22 -0.824 10.747 -6.608 1.00 0.00 C ATOM 298 CD GLU A 22 -0.907 12.252 -6.442 1.00 0.00 C ATOM 299 OE1 GLU A 22 0.128 12.927 -6.622 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.007 12.754 -6.131 1.00 0.00 O ATOM 0 H GLU A 22 -2.426 9.260 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.275 8.082 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.358 10.587 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.969 10.171 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.305 10.516 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.831 10.339 -6.695 1.00 0.00 H new ATOM 307 N GLU A 23 0.166 8.258 -2.979 1.00 0.00 N ATOM 308 CA GLU A 23 0.947 7.717 -1.873 1.00 0.00 C ATOM 309 C GLU A 23 0.921 6.191 -1.883 1.00 0.00 C ATOM 310 O GLU A 23 1.951 5.542 -1.704 1.00 0.00 O ATOM 311 CB GLU A 23 0.410 8.239 -0.538 1.00 0.00 C ATOM 312 CG GLU A 23 1.161 7.705 0.670 1.00 0.00 C ATOM 313 CD GLU A 23 0.806 8.439 1.949 1.00 0.00 C ATOM 314 OE1 GLU A 23 -0.397 8.687 2.175 1.00 0.00 O ATOM 315 OE2 GLU A 23 1.730 8.765 2.723 1.00 0.00 O ATOM 0 H GLU A 23 -0.593 8.879 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 23 1.979 8.046 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.462 9.328 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.643 7.970 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.940 6.644 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.233 7.789 0.493 1.00 0.00 H new ATOM 322 N GLN A 24 -0.264 5.627 -2.093 1.00 0.00 N ATOM 323 CA GLN A 24 -0.425 4.178 -2.125 1.00 0.00 C ATOM 324 C GLN A 24 0.470 3.555 -3.191 1.00 0.00 C ATOM 325 O GLN A 24 1.396 2.806 -2.877 1.00 0.00 O ATOM 326 CB GLN A 24 -1.886 3.812 -2.392 1.00 0.00 C ATOM 327 CG GLN A 24 -2.854 4.391 -1.373 1.00 0.00 C ATOM 328 CD GLN A 24 -4.158 3.621 -1.303 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.269 2.516 -1.834 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.154 4.201 -0.644 1.00 0.00 N ATOM 0 H GLN A 24 -1.126 6.151 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.131 3.783 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.164 4.163 -3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.985 2.726 -2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.383 4.391 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.063 5.430 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.018 5.118 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.055 3.729 -0.563 1.00 0.00 H new ATOM 339 N TRP A 25 0.189 3.868 -4.450 1.00 0.00 N ATOM 340 CA TRP A 25 0.969 3.337 -5.562 1.00 0.00 C ATOM 341 C TRP A 25 2.461 3.390 -5.254 1.00 0.00 C ATOM 342 O TRP A 25 3.175 2.401 -5.423 1.00 0.00 O ATOM 343 CB TRP A 25 0.672 4.122 -6.841 1.00 0.00 C ATOM 344 CG TRP A 25 -0.788 4.184 -7.174 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.726 3.221 -6.931 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.477 5.265 -7.813 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.955 3.638 -7.380 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.830 4.889 -7.925 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.082 6.514 -8.299 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.787 5.718 -8.503 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.033 7.336 -8.874 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.373 6.936 -8.971 1.00 0.00 C ATOM 0 H TRP A 25 -0.573 4.487 -4.727 1.00 0.00 H new ATOM 0 HA TRP A 25 0.684 2.295 -5.709 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.056 5.136 -6.734 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.208 3.664 -7.672 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.530 2.271 -6.456 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.821 3.103 -7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.052 6.831 -8.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.820 5.411 -8.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -1.739 8.303 -9.255 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.093 7.602 -9.424 1.00 0.00 H new ATOM 363 N TYR A 26 2.927 4.549 -4.802 1.00 0.00 N ATOM 364 CA TYR A 26 4.336 4.730 -4.472 1.00 0.00 C ATOM 365 C TYR A 26 4.859 3.555 -3.652 1.00 0.00 C ATOM 366 O TYR A 26 5.843 2.913 -4.021 1.00 0.00 O ATOM 367 CB TYR A 26 4.537 6.035 -3.701 1.00 0.00 C ATOM 368 CG TYR A 26 5.963 6.259 -3.251 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.959 6.574 -4.167 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.314 6.156 -1.911 1.00 0.00 C ATOM 371 CE1 TYR A 26 8.264 6.779 -3.761 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.616 6.360 -1.495 1.00 0.00 C ATOM 373 CZ TYR A 26 8.587 6.671 -2.424 1.00 0.00 C ATOM 374 OH TYR A 26 9.885 6.875 -2.015 1.00 0.00 O ATOM 0 H TYR A 26 2.350 5.377 -4.656 1.00 0.00 H new ATOM 0 HA TYR A 26 4.898 4.777 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.228 6.870 -4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.885 6.035 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.709 6.660 -5.214 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.556 5.912 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.027 7.022 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.872 6.276 -0.449 1.00 0.00 H new ATOM 0 HH TYR A 26 9.943 6.763 -1.043 1.00 0.00 H new ATOM 384 N LEU A 27 4.193 3.279 -2.536 1.00 0.00 N ATOM 385 CA LEU A 27 4.589 2.180 -1.661 1.00 0.00 C ATOM 386 C LEU A 27 4.907 0.927 -2.470 1.00 0.00 C ATOM 387 O LEU A 27 6.016 0.398 -2.401 1.00 0.00 O ATOM 388 CB LEU A 27 3.479 1.881 -0.652 1.00 0.00 C ATOM 389 CG LEU A 27 3.027 3.055 0.217 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.653 2.784 0.809 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.041 3.325 1.319 1.00 0.00 C ATOM 0 H LEU A 27 3.377 3.800 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 27 5.489 2.481 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.613 1.503 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.818 1.079 0.004 1.00 0.00 H new ATOM 0 HG LEU A 27 2.960 3.942 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.348 3.631 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.932 2.642 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.693 1.885 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.703 4.164 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.141 2.439 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.006 3.566 0.874 1.00 0.00 H new ATOM 403 N GLU A 28 3.928 0.460 -3.238 1.00 0.00 N ATOM 404 CA GLU A 28 4.106 -0.730 -4.062 1.00 0.00 C ATOM 405 C GLU A 28 5.493 -0.749 -4.698 1.00 0.00 C ATOM 406 O GLU A 28 6.057 -1.814 -4.951 1.00 0.00 O ATOM 407 CB GLU A 28 3.032 -0.790 -5.150 1.00 0.00 C ATOM 408 CG GLU A 28 2.710 -2.201 -5.611 1.00 0.00 C ATOM 409 CD GLU A 28 1.794 -2.934 -4.650 1.00 0.00 C ATOM 410 OE1 GLU A 28 2.290 -3.420 -3.612 1.00 0.00 O ATOM 411 OE2 GLU A 28 0.582 -3.021 -4.936 1.00 0.00 O ATOM 0 H GLU A 28 3.004 0.887 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 28 4.009 -1.604 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.121 -0.323 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.362 -0.203 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.241 -2.160 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.637 -2.763 -5.723 1.00 0.00 H new ATOM 418 N ILE A 29 6.036 0.436 -4.955 1.00 0.00 N ATOM 419 CA ILE A 29 7.356 0.557 -5.561 1.00 0.00 C ATOM 420 C ILE A 29 8.456 0.397 -4.518 1.00 0.00 C ATOM 421 O ILE A 29 9.284 -0.510 -4.606 1.00 0.00 O ATOM 422 CB ILE A 29 7.528 1.913 -6.270 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.428 2.110 -7.315 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.903 2.002 -6.916 1.00 0.00 C ATOM 425 CD1 ILE A 29 6.153 3.563 -7.636 1.00 0.00 C ATOM 0 H ILE A 29 5.582 1.327 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 29 7.439 -0.241 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 29 7.444 2.708 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.711 1.591 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.510 1.645 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.010 2.966 -7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.672 1.902 -6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.014 1.202 -7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.362 3.627 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.839 4.083 -6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.059 4.027 -8.025 1.00 0.00 H new ATOM 437 N VAL A 30 8.460 1.285 -3.529 1.00 0.00 N ATOM 438 CA VAL A 30 9.457 1.242 -2.466 1.00 0.00 C ATOM 439 C VAL A 30 9.474 -0.122 -1.784 1.00 0.00 C ATOM 440 O VAL A 30 10.424 -0.463 -1.079 1.00 0.00 O ATOM 441 CB VAL A 30 9.197 2.330 -1.407 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.732 3.618 -2.069 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.177 1.847 -0.387 1.00 0.00 C ATOM 0 H VAL A 30 7.783 2.043 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 30 10.425 1.424 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 30 10.131 2.535 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.553 4.375 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.500 3.971 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.809 3.432 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.005 2.628 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.240 1.614 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.554 0.953 0.109 1.00 0.00 H new ATOM 453 N ASP A 31 8.417 -0.898 -1.998 1.00 0.00 N ATOM 454 CA ASP A 31 8.311 -2.226 -1.405 1.00 0.00 C ATOM 455 C ASP A 31 8.735 -3.301 -2.401 1.00 0.00 C ATOM 456 O ASP A 31 9.624 -4.106 -2.121 1.00 0.00 O ATOM 457 CB ASP A 31 6.879 -2.485 -0.935 1.00 0.00 C ATOM 458 CG ASP A 31 6.821 -3.416 0.259 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.633 -4.363 0.313 1.00 0.00 O ATOM 460 OD2 ASP A 31 5.963 -3.199 1.141 1.00 0.00 O ATOM 0 H ASP A 31 7.622 -0.630 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 31 8.980 -2.268 -0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.408 -1.537 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.303 -2.914 -1.755 1.00 0.00 H new ATOM 465 N LYS A 32 8.093 -3.309 -3.564 1.00 0.00 N ATOM 466 CA LYS A 32 8.402 -4.285 -4.603 1.00 0.00 C ATOM 467 C LYS A 32 9.421 -3.723 -5.590 1.00 0.00 C ATOM 468 O LYS A 32 10.457 -4.336 -5.844 1.00 0.00 O ATOM 469 CB LYS A 32 7.128 -4.692 -5.345 1.00 0.00 C ATOM 470 CG LYS A 32 5.961 -5.003 -4.423 1.00 0.00 C ATOM 471 CD LYS A 32 6.241 -6.221 -3.560 1.00 0.00 C ATOM 472 CE LYS A 32 6.866 -5.830 -2.229 1.00 0.00 C ATOM 473 NZ LYS A 32 6.872 -6.964 -1.264 1.00 0.00 N ATOM 0 H LYS A 32 7.355 -2.650 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 32 8.832 -5.165 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.840 -3.889 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.339 -5.568 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.761 -4.142 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.063 -5.175 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.312 -6.763 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.909 -6.899 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.888 -5.488 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.315 -4.992 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.113 -6.612 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.930 -7.405 -1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.577 -7.669 -1.561 1.00 0.00 H new ATOM 487 N GLY A 33 9.118 -2.553 -6.144 1.00 0.00 N ATOM 488 CA GLY A 33 10.018 -1.929 -7.096 1.00 0.00 C ATOM 489 C GLY A 33 9.279 -1.181 -8.188 1.00 0.00 C ATOM 490 O GLY A 33 9.835 -0.285 -8.823 1.00 0.00 O ATOM 0 H GLY A 33 8.266 -2.027 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.677 -1.239 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.651 -2.693 -7.547 1.00 0.00 H new ATOM 494 N SER A 34 8.021 -1.551 -8.410 1.00 0.00 N ATOM 495 CA SER A 34 7.206 -0.913 -9.437 1.00 0.00 C ATOM 496 C SER A 34 5.721 -1.122 -9.159 1.00 0.00 C ATOM 497 O SER A 34 5.318 -2.152 -8.618 1.00 0.00 O ATOM 498 CB SER A 34 7.562 -1.466 -10.818 1.00 0.00 C ATOM 499 OG SER A 34 8.966 -1.559 -10.983 1.00 0.00 O ATOM 0 H SER A 34 7.545 -2.289 -7.892 1.00 0.00 H new ATOM 0 HA SER A 34 7.414 0.157 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.112 -2.450 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.144 -0.821 -11.591 1.00 0.00 H new ATOM 0 HG SER A 34 9.403 -0.841 -10.479 1.00 0.00 H new ATOM 505 N VAL A 35 4.910 -0.138 -9.535 1.00 0.00 N ATOM 506 CA VAL A 35 3.469 -0.214 -9.329 1.00 0.00 C ATOM 507 C VAL A 35 2.763 -0.748 -10.570 1.00 0.00 C ATOM 508 O VAL A 35 3.157 -0.451 -11.698 1.00 0.00 O ATOM 509 CB VAL A 35 2.880 1.163 -8.970 1.00 0.00 C ATOM 510 CG1 VAL A 35 3.032 2.129 -10.136 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.420 1.029 -8.565 1.00 0.00 C ATOM 0 H VAL A 35 5.227 0.721 -9.984 1.00 0.00 H new ATOM 0 HA VAL A 35 3.304 -0.900 -8.498 1.00 0.00 H new ATOM 0 HB VAL A 35 3.433 1.565 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.610 3.097 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.089 2.248 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.506 1.735 -11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.020 2.012 -8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.850 0.605 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.342 0.374 -7.697 1.00 0.00 H new ATOM 521 N SER A 36 1.717 -1.540 -10.355 1.00 0.00 N ATOM 522 CA SER A 36 0.957 -2.119 -11.456 1.00 0.00 C ATOM 523 C SER A 36 -0.287 -1.289 -11.754 1.00 0.00 C ATOM 524 O SER A 36 -0.755 -0.524 -10.910 1.00 0.00 O ATOM 525 CB SER A 36 0.557 -3.558 -11.126 1.00 0.00 C ATOM 526 OG SER A 36 0.148 -4.254 -12.291 1.00 0.00 O ATOM 0 H SER A 36 1.377 -1.795 -9.428 1.00 0.00 H new ATOM 0 HA SER A 36 1.592 -2.120 -12.342 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.398 -4.076 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.253 -3.555 -10.397 1.00 0.00 H new ATOM 0 HG SER A 36 -0.101 -5.172 -12.053 1.00 0.00 H new ATOM 532 N CYS A 37 -0.819 -1.444 -12.962 1.00 0.00 N ATOM 533 CA CYS A 37 -2.009 -0.709 -13.374 1.00 0.00 C ATOM 534 C CYS A 37 -3.194 -1.044 -12.473 1.00 0.00 C ATOM 535 O CYS A 37 -3.698 -2.167 -12.459 1.00 0.00 O ATOM 536 CB CYS A 37 -2.354 -1.032 -14.830 1.00 0.00 C ATOM 537 SG CYS A 37 -3.640 0.043 -15.544 1.00 0.00 S ATOM 0 H CYS A 37 -0.445 -2.072 -13.673 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.797 0.356 -13.285 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.450 -0.950 -15.434 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.686 -2.068 -14.893 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.599 -0.034 -16.841 1.00 0.00 H new ATOM 542 N PRO A 38 -3.651 -0.046 -11.702 1.00 0.00 N ATOM 543 CA PRO A 38 -4.782 -0.209 -10.784 1.00 0.00 C ATOM 544 C PRO A 38 -6.107 -0.377 -11.520 1.00 0.00 C ATOM 545 O PRO A 38 -7.155 -0.560 -10.901 1.00 0.00 O ATOM 546 CB PRO A 38 -4.778 1.094 -9.981 1.00 0.00 C ATOM 547 CG PRO A 38 -4.119 2.088 -10.874 1.00 0.00 C ATOM 548 CD PRO A 38 -3.098 1.319 -11.666 1.00 0.00 C ATOM 0 HA PRO A 38 -4.683 -1.104 -10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.791 1.403 -9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.232 0.980 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.846 2.564 -11.532 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.647 2.881 -10.294 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.975 1.729 -12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.118 1.343 -11.189 1.00 0.00 H new ATOM 556 N THR A 39 -6.053 -0.314 -12.847 1.00 0.00 N ATOM 557 CA THR A 39 -7.248 -0.458 -13.668 1.00 0.00 C ATOM 558 C THR A 39 -7.322 -1.847 -14.293 1.00 0.00 C ATOM 559 O THR A 39 -8.278 -2.590 -14.069 1.00 0.00 O ATOM 560 CB THR A 39 -7.292 0.599 -14.788 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.106 1.907 -14.234 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.616 0.542 -15.534 1.00 0.00 C ATOM 0 H THR A 39 -5.194 -0.164 -13.376 1.00 0.00 H new ATOM 0 HA THR A 39 -8.103 -0.313 -13.008 1.00 0.00 H new ATOM 0 HB THR A 39 -6.488 0.385 -15.492 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.133 2.573 -14.952 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.624 1.297 -16.320 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.741 -0.445 -15.978 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.434 0.733 -14.839 1.00 0.00 H new ATOM 570 N CYS A 40 -6.307 -2.192 -15.077 1.00 0.00 N ATOM 571 CA CYS A 40 -6.256 -3.492 -15.735 1.00 0.00 C ATOM 572 C CYS A 40 -5.419 -4.479 -14.926 1.00 0.00 C ATOM 573 O CYS A 40 -5.650 -5.686 -14.971 1.00 0.00 O ATOM 574 CB CYS A 40 -5.677 -3.352 -17.144 1.00 0.00 C ATOM 575 SG CYS A 40 -3.880 -3.060 -17.185 1.00 0.00 S ATOM 0 H CYS A 40 -5.508 -1.589 -15.272 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.274 -3.876 -15.804 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.900 -4.258 -17.708 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.180 -2.529 -17.651 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.621 -1.880 -16.704 1.00 0.00 H new ATOM 580 N GLN A 41 -4.446 -3.954 -14.187 1.00 0.00 N ATOM 581 CA GLN A 41 -3.575 -4.789 -13.368 1.00 0.00 C ATOM 582 C GLN A 41 -2.846 -5.819 -14.224 1.00 0.00 C ATOM 583 O GLN A 41 -2.726 -6.983 -13.844 1.00 0.00 O ATOM 584 CB GLN A 41 -4.385 -5.494 -12.279 1.00 0.00 C ATOM 585 CG GLN A 41 -5.060 -4.539 -11.308 1.00 0.00 C ATOM 586 CD GLN A 41 -5.581 -5.238 -10.068 1.00 0.00 C ATOM 587 OE1 GLN A 41 -5.928 -6.419 -10.107 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.637 -4.512 -8.958 1.00 0.00 N ATOM 0 H GLN A 41 -4.242 -2.956 -14.139 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.833 -4.144 -12.898 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.145 -6.118 -12.750 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.726 -6.160 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.351 -3.765 -11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.886 -4.038 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.339 -3.537 -8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.978 -4.930 -8.092 1.00 0.00 H new ATOM 597 N ALA A 42 -2.362 -5.383 -15.383 1.00 0.00 N ATOM 598 CA ALA A 42 -1.644 -6.267 -16.292 1.00 0.00 C ATOM 599 C ALA A 42 -0.203 -5.806 -16.483 1.00 0.00 C ATOM 600 O ALA A 42 0.723 -6.617 -16.499 1.00 0.00 O ATOM 601 CB ALA A 42 -2.359 -6.339 -17.633 1.00 0.00 C ATOM 0 H ALA A 42 -2.454 -4.423 -15.714 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.623 -7.263 -15.849 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.811 -7.003 -18.302 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.369 -6.723 -17.487 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.410 -5.343 -18.072 1.00 0.00 H new ATOM 607 N VAL A 43 -0.020 -4.497 -16.628 1.00 0.00 N ATOM 608 CA VAL A 43 1.309 -3.928 -16.818 1.00 0.00 C ATOM 609 C VAL A 43 1.567 -2.794 -15.831 1.00 0.00 C ATOM 610 O VAL A 43 0.717 -1.929 -15.628 1.00 0.00 O ATOM 611 CB VAL A 43 1.492 -3.397 -18.252 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.430 -4.538 -19.256 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.443 -2.341 -18.567 1.00 0.00 C ATOM 0 H VAL A 43 -0.775 -3.811 -16.617 1.00 0.00 H new ATOM 0 HA VAL A 43 2.026 -4.730 -16.641 1.00 0.00 H new ATOM 0 HB VAL A 43 2.475 -2.933 -18.326 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.561 -4.144 -20.264 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.222 -5.255 -19.041 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.462 -5.034 -19.184 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.587 -1.977 -19.584 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.552 -2.778 -18.476 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.541 -1.511 -17.867 1.00 0.00 H new ATOM 623 N GLY A 44 2.748 -2.806 -15.220 1.00 0.00 N ATOM 624 CA GLY A 44 3.097 -1.774 -14.262 1.00 0.00 C ATOM 625 C GLY A 44 4.288 -0.949 -14.708 1.00 0.00 C ATOM 626 O GLY A 44 4.922 -1.256 -15.717 1.00 0.00 O ATOM 0 H GLY A 44 3.469 -3.512 -15.372 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.240 -1.118 -14.111 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.318 -2.236 -13.300 1.00 0.00 H new ATOM 630 N ARG A 45 4.591 0.104 -13.955 1.00 0.00 N ATOM 631 CA ARG A 45 5.712 0.978 -14.280 1.00 0.00 C ATOM 632 C ARG A 45 6.576 1.234 -13.049 1.00 0.00 C ATOM 633 O ARG A 45 6.117 1.098 -11.915 1.00 0.00 O ATOM 634 CB ARG A 45 5.204 2.306 -14.845 1.00 0.00 C ATOM 635 CG ARG A 45 4.496 2.167 -16.183 1.00 0.00 C ATOM 636 CD ARG A 45 4.746 3.375 -17.073 1.00 0.00 C ATOM 637 NE ARG A 45 6.150 3.493 -17.455 1.00 0.00 N ATOM 638 CZ ARG A 45 6.562 4.100 -18.562 1.00 0.00 C ATOM 639 NH1 ARG A 45 5.681 4.642 -19.391 1.00 0.00 N ATOM 640 NH2 ARG A 45 7.858 4.166 -18.841 1.00 0.00 N ATOM 0 H ARG A 45 4.076 0.372 -13.116 1.00 0.00 H new ATOM 0 HA ARG A 45 6.322 0.480 -15.034 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.520 2.759 -14.127 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.046 2.989 -14.958 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.842 1.264 -16.687 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.425 2.050 -16.019 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.132 3.297 -17.970 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.435 4.280 -16.551 1.00 0.00 H new ATOM 0 HE ARG A 45 6.853 3.087 -16.838 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.684 4.593 -19.179 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.000 5.108 -20.241 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.538 3.750 -18.205 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.173 4.632 -19.691 1.00 0.00 H new ATOM 654 N LYS A 46 7.831 1.606 -13.280 1.00 0.00 N ATOM 655 CA LYS A 46 8.761 1.882 -12.192 1.00 0.00 C ATOM 656 C LYS A 46 8.231 2.995 -11.293 1.00 0.00 C ATOM 657 O LYS A 46 8.221 2.867 -10.068 1.00 0.00 O ATOM 658 CB LYS A 46 10.131 2.273 -12.751 1.00 0.00 C ATOM 659 CG LYS A 46 11.006 1.082 -13.103 1.00 0.00 C ATOM 660 CD LYS A 46 12.245 1.509 -13.871 1.00 0.00 C ATOM 661 CE LYS A 46 12.003 1.493 -15.373 1.00 0.00 C ATOM 662 NZ LYS A 46 11.305 2.725 -15.836 1.00 0.00 N ATOM 0 H LYS A 46 8.227 1.723 -14.213 1.00 0.00 H new ATOM 0 HA LYS A 46 8.864 0.975 -11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.990 2.885 -13.642 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.650 2.891 -12.018 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.303 0.565 -12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.433 0.372 -13.700 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.540 2.511 -13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.073 0.843 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.956 1.398 -15.893 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.408 0.618 -15.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.577 2.929 -16.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.276 2.582 -15.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.574 3.525 -15.229 1.00 0.00 H new ATOM 676 N THR A 47 7.789 4.087 -11.909 1.00 0.00 N ATOM 677 CA THR A 47 7.257 5.221 -11.164 1.00 0.00 C ATOM 678 C THR A 47 5.789 5.459 -11.499 1.00 0.00 C ATOM 679 O THR A 47 5.243 4.840 -12.412 1.00 0.00 O ATOM 680 CB THR A 47 8.052 6.508 -11.456 1.00 0.00 C ATOM 681 OG1 THR A 47 8.486 6.517 -12.821 1.00 0.00 O ATOM 682 CG2 THR A 47 9.258 6.619 -10.536 1.00 0.00 C ATOM 0 H THR A 47 7.789 4.210 -12.922 1.00 0.00 H new ATOM 0 HA THR A 47 7.351 4.976 -10.106 1.00 0.00 H new ATOM 0 HB THR A 47 7.398 7.361 -11.277 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.989 7.339 -12.999 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.804 7.535 -10.761 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.924 6.641 -9.499 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.912 5.760 -10.688 1.00 0.00 H new ATOM 690 N ILE A 48 5.155 6.359 -10.755 1.00 0.00 N ATOM 691 CA ILE A 48 3.750 6.679 -10.974 1.00 0.00 C ATOM 692 C ILE A 48 3.567 7.513 -12.237 1.00 0.00 C ATOM 693 O ILE A 48 2.737 7.195 -13.088 1.00 0.00 O ATOM 694 CB ILE A 48 3.153 7.442 -9.777 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.546 6.763 -8.464 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.639 7.524 -9.904 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.089 7.515 -7.234 1.00 0.00 C ATOM 0 H ILE A 48 5.592 6.880 -9.995 1.00 0.00 H new ATOM 0 HA ILE A 48 3.224 5.731 -11.088 1.00 0.00 H new ATOM 0 HB ILE A 48 3.554 8.456 -9.774 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.124 5.758 -8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.630 6.654 -8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.231 8.066 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.379 8.047 -10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.221 6.518 -9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.402 6.975 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.532 8.511 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.002 7.601 -7.243 1.00 0.00 H new ATOM 709 N GLU A 49 4.350 8.582 -12.353 1.00 0.00 N ATOM 710 CA GLU A 49 4.275 9.461 -13.513 1.00 0.00 C ATOM 711 C GLU A 49 3.912 8.675 -14.769 1.00 0.00 C ATOM 712 O GLU A 49 2.924 8.974 -15.438 1.00 0.00 O ATOM 713 CB GLU A 49 5.607 10.186 -13.719 1.00 0.00 C ATOM 714 CG GLU A 49 5.466 11.536 -14.402 1.00 0.00 C ATOM 715 CD GLU A 49 6.693 11.912 -15.210 1.00 0.00 C ATOM 716 OE1 GLU A 49 7.024 11.176 -16.163 1.00 0.00 O ATOM 717 OE2 GLU A 49 7.321 12.942 -14.889 1.00 0.00 O ATOM 0 H GLU A 49 5.043 8.859 -11.658 1.00 0.00 H new ATOM 0 HA GLU A 49 3.493 10.198 -13.328 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.088 10.326 -12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.267 9.554 -14.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.595 11.518 -15.058 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.282 12.303 -13.649 1.00 0.00 H new ATOM 724 N GLY A 50 4.721 7.668 -15.084 1.00 0.00 N ATOM 725 CA GLY A 50 4.470 6.854 -16.259 1.00 0.00 C ATOM 726 C GLY A 50 3.119 6.168 -16.211 1.00 0.00 C ATOM 727 O GLY A 50 2.382 6.163 -17.198 1.00 0.00 O ATOM 0 H GLY A 50 5.546 7.401 -14.546 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.525 7.480 -17.149 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.253 6.101 -16.350 1.00 0.00 H new ATOM 731 N LEU A 51 2.794 5.585 -15.063 1.00 0.00 N ATOM 732 CA LEU A 51 1.523 4.890 -14.890 1.00 0.00 C ATOM 733 C LEU A 51 0.350 5.819 -15.188 1.00 0.00 C ATOM 734 O LEU A 51 -0.530 5.489 -15.983 1.00 0.00 O ATOM 735 CB LEU A 51 1.407 4.344 -13.466 1.00 0.00 C ATOM 736 CG LEU A 51 -0.010 4.053 -12.972 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.518 2.741 -13.550 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.049 4.018 -11.451 1.00 0.00 C ATOM 0 H LEU A 51 3.393 5.580 -14.237 1.00 0.00 H new ATOM 0 HA LEU A 51 1.493 4.059 -15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.988 3.424 -13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.868 5.060 -12.785 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.664 4.855 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.528 2.550 -13.187 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.529 2.803 -14.638 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.138 1.928 -13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.066 3.810 -11.118 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.619 3.237 -11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.272 4.982 -11.057 1.00 0.00 H new ATOM 750 N LYS A 52 0.346 6.982 -14.547 1.00 0.00 N ATOM 751 CA LYS A 52 -0.716 7.962 -14.745 1.00 0.00 C ATOM 752 C LYS A 52 -1.139 8.017 -16.209 1.00 0.00 C ATOM 753 O LYS A 52 -2.320 7.878 -16.531 1.00 0.00 O ATOM 754 CB LYS A 52 -0.254 9.346 -14.285 1.00 0.00 C ATOM 755 CG LYS A 52 -0.474 9.599 -12.803 1.00 0.00 C ATOM 756 CD LYS A 52 0.546 10.579 -12.247 1.00 0.00 C ATOM 757 CE LYS A 52 0.154 11.065 -10.861 1.00 0.00 C ATOM 758 NZ LYS A 52 0.995 12.210 -10.416 1.00 0.00 N ATOM 0 H LYS A 52 1.067 7.270 -13.885 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.575 7.655 -14.148 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.806 9.460 -14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.785 10.106 -14.858 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.479 9.990 -12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.409 8.657 -12.259 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.525 10.101 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.638 11.431 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.894 11.364 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.250 10.246 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.696 12.512 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.993 11.918 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.884 13.001 -11.082 1.00 0.00 H new ATOM 772 N LYS A 53 -0.169 8.218 -17.094 1.00 0.00 N ATOM 773 CA LYS A 53 -0.439 8.289 -18.525 1.00 0.00 C ATOM 774 C LYS A 53 -1.067 6.991 -19.025 1.00 0.00 C ATOM 775 O LYS A 53 -1.905 7.002 -19.927 1.00 0.00 O ATOM 776 CB LYS A 53 0.852 8.573 -19.296 1.00 0.00 C ATOM 777 CG LYS A 53 0.637 8.787 -20.784 1.00 0.00 C ATOM 778 CD LYS A 53 0.062 10.164 -21.072 1.00 0.00 C ATOM 779 CE LYS A 53 0.317 10.584 -22.512 1.00 0.00 C ATOM 780 NZ LYS A 53 -0.428 11.824 -22.867 1.00 0.00 N ATOM 0 H LYS A 53 0.813 8.335 -16.845 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.143 9.103 -18.696 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.329 9.458 -18.875 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.541 7.741 -19.153 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.585 8.670 -21.310 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.038 8.022 -21.169 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.011 10.160 -20.878 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.506 10.894 -20.395 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.385 10.747 -22.659 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.022 9.778 -23.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.228 12.078 -23.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.449 11.661 -22.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.128 12.600 -22.243 1.00 0.00 H new ATOM 794 N HIS A 54 -0.658 5.874 -18.431 1.00 0.00 N ATOM 795 CA HIS A 54 -1.182 4.568 -18.815 1.00 0.00 C ATOM 796 C HIS A 54 -2.650 4.436 -18.423 1.00 0.00 C ATOM 797 O HIS A 54 -3.489 4.056 -19.239 1.00 0.00 O ATOM 798 CB HIS A 54 -0.364 3.455 -18.160 1.00 0.00 C ATOM 799 CG HIS A 54 -0.877 2.080 -18.460 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.941 1.562 -19.736 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.351 1.113 -17.639 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.434 0.337 -19.687 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.690 0.040 -18.426 1.00 0.00 N ATOM 0 H HIS A 54 0.034 5.847 -17.682 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.104 4.476 -19.898 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.670 3.529 -18.496 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.360 3.605 -17.080 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.445 1.174 -16.565 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.600 -0.311 -20.535 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.077 -0.843 -18.091 1.00 0.00 H new ATOM 811 N MET A 55 -2.953 4.751 -17.168 1.00 0.00 N ATOM 812 CA MET A 55 -4.320 4.667 -16.668 1.00 0.00 C ATOM 813 C MET A 55 -5.202 5.729 -17.317 1.00 0.00 C ATOM 814 O MET A 55 -6.399 5.518 -17.514 1.00 0.00 O ATOM 815 CB MET A 55 -4.341 4.830 -15.147 1.00 0.00 C ATOM 816 CG MET A 55 -3.778 6.159 -14.670 1.00 0.00 C ATOM 817 SD MET A 55 -4.383 6.624 -13.036 1.00 0.00 S ATOM 818 CE MET A 55 -4.206 5.073 -12.156 1.00 0.00 C ATOM 0 H MET A 55 -2.270 5.067 -16.479 1.00 0.00 H new ATOM 0 HA MET A 55 -4.715 3.684 -16.926 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.367 4.732 -14.794 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.769 4.019 -14.695 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.690 6.101 -14.647 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.041 6.938 -15.386 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.541 5.199 -11.126 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.810 4.307 -12.643 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.160 4.768 -12.163 1.00 0.00 H new ATOM 828 N GLU A 56 -4.604 6.870 -17.645 1.00 0.00 N ATOM 829 CA GLU A 56 -5.337 7.964 -18.270 1.00 0.00 C ATOM 830 C GLU A 56 -6.234 7.447 -19.392 1.00 0.00 C ATOM 831 O GLU A 56 -7.406 7.811 -19.480 1.00 0.00 O ATOM 832 CB GLU A 56 -4.365 9.010 -18.821 1.00 0.00 C ATOM 833 CG GLU A 56 -4.009 10.096 -17.820 1.00 0.00 C ATOM 834 CD GLU A 56 -3.709 11.426 -18.485 1.00 0.00 C ATOM 835 OE1 GLU A 56 -3.090 11.422 -19.569 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.095 12.471 -17.920 1.00 0.00 O ATOM 0 H GLU A 56 -3.614 7.060 -17.488 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.965 8.427 -17.509 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.451 8.511 -19.143 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.804 9.472 -19.705 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.833 10.223 -17.118 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.142 9.780 -17.240 1.00 0.00 H new ATOM 958 N THR A 64 -6.041 -9.772 -22.320 1.00 0.00 N ATOM 959 CA THR A 64 -4.687 -10.165 -22.686 1.00 0.00 C ATOM 960 C THR A 64 -4.564 -11.681 -22.792 1.00 0.00 C ATOM 961 O THR A 64 -4.713 -12.396 -21.801 1.00 0.00 O ATOM 962 CB THR A 64 -3.656 -9.647 -21.666 1.00 0.00 C ATOM 963 OG1 THR A 64 -3.862 -8.251 -21.426 1.00 0.00 O ATOM 964 CG2 THR A 64 -2.237 -9.877 -22.165 1.00 0.00 C ATOM 0 HA THR A 64 -4.480 -9.718 -23.658 1.00 0.00 H new ATOM 0 HB THR A 64 -3.791 -10.199 -20.736 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.820 -8.050 -21.468 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.527 -9.503 -21.428 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.073 -10.944 -22.318 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.093 -9.349 -23.108 1.00 0.00 H new ATOM 972 N CYS A 65 -4.290 -12.165 -23.999 1.00 0.00 N ATOM 973 CA CYS A 65 -4.146 -13.596 -24.234 1.00 0.00 C ATOM 974 C CYS A 65 -3.057 -14.188 -23.344 1.00 0.00 C ATOM 975 O CYS A 65 -2.216 -13.464 -22.809 1.00 0.00 O ATOM 976 CB CYS A 65 -3.818 -13.862 -25.705 1.00 0.00 C ATOM 977 SG CYS A 65 -3.141 -15.522 -26.027 1.00 0.00 S ATOM 0 H CYS A 65 -4.163 -11.587 -24.829 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.093 -14.076 -23.987 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.723 -13.729 -26.298 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.101 -13.116 -26.047 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.018 -16.230 -26.675 1.00 0.00 H new ATOM 982 N HIS A 66 -3.079 -15.508 -23.189 1.00 0.00 N ATOM 983 CA HIS A 66 -2.093 -16.197 -22.364 1.00 0.00 C ATOM 984 C HIS A 66 -1.132 -17.006 -23.229 1.00 0.00 C ATOM 985 O HIS A 66 0.057 -17.110 -22.924 1.00 0.00 O ATOM 986 CB HIS A 66 -2.790 -17.115 -21.359 1.00 0.00 C ATOM 987 CG HIS A 66 -3.399 -18.333 -21.983 1.00 0.00 C ATOM 988 ND1 HIS A 66 -4.587 -18.306 -22.683 1.00 0.00 N ATOM 989 CD2 HIS A 66 -2.976 -19.619 -22.011 1.00 0.00 C ATOM 990 CE1 HIS A 66 -4.869 -19.523 -23.113 1.00 0.00 C ATOM 991 NE2 HIS A 66 -3.907 -20.338 -22.719 1.00 0.00 N ATOM 0 H HIS A 66 -3.768 -16.122 -23.624 1.00 0.00 H new ATOM 0 HA HIS A 66 -1.520 -15.445 -21.821 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.069 -17.426 -20.603 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.569 -16.552 -20.845 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.074 -20.007 -21.560 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.738 -19.804 -23.689 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.863 -21.339 -22.910 1.00 0.00 H new ATOM 999 N HIS A 67 -1.654 -17.579 -24.309 1.00 0.00 N ATOM 1000 CA HIS A 67 -0.841 -18.380 -25.218 1.00 0.00 C ATOM 1001 C HIS A 67 0.406 -17.615 -25.649 1.00 0.00 C ATOM 1002 O HIS A 67 1.517 -18.144 -25.609 1.00 0.00 O ATOM 1003 CB HIS A 67 -1.658 -18.781 -26.446 1.00 0.00 C ATOM 1004 CG HIS A 67 -2.561 -19.952 -26.209 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -2.154 -21.097 -25.557 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -3.859 -20.151 -26.540 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -3.161 -21.950 -25.498 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -4.207 -21.399 -26.087 1.00 0.00 N ATOM 0 H HIS A 67 -2.636 -17.504 -24.576 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.528 -19.280 -24.689 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.258 -17.929 -26.767 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.977 -19.017 -27.264 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.501 -19.457 -27.063 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.134 -22.930 -25.046 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.125 -21.831 -26.189 1.00 0.00 H new ATOM 1016 N CYS A 68 0.215 -16.366 -26.062 1.00 0.00 N ATOM 1017 CA CYS A 68 1.323 -15.527 -26.502 1.00 0.00 C ATOM 1018 C CYS A 68 1.443 -14.282 -25.628 1.00 0.00 C ATOM 1019 O CYS A 68 2.541 -13.891 -25.233 1.00 0.00 O ATOM 1020 CB CYS A 68 1.133 -15.121 -27.964 1.00 0.00 C ATOM 1021 SG CYS A 68 -0.326 -14.071 -28.261 1.00 0.00 S ATOM 0 H CYS A 68 -0.698 -15.913 -26.101 1.00 0.00 H new ATOM 0 HA CYS A 68 2.243 -16.105 -26.409 1.00 0.00 H new ATOM 0 HB2 CYS A 68 2.024 -14.591 -28.301 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.049 -16.022 -28.572 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.328 -14.511 -27.559 1.00 0.00 H new ATOM 1026 N GLY A 69 0.305 -13.663 -25.330 1.00 0.00 N ATOM 1027 CA GLY A 69 0.304 -12.468 -24.506 1.00 0.00 C ATOM 1028 C GLY A 69 -0.048 -11.221 -25.292 1.00 0.00 C ATOM 1029 O GLY A 69 0.534 -10.158 -25.077 1.00 0.00 O ATOM 0 H GLY A 69 -0.616 -13.968 -25.644 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.409 -12.593 -23.691 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.287 -12.342 -24.053 1.00 0.00 H new ATOM 1033 N LYS A 70 -1.002 -11.350 -26.208 1.00 0.00 N ATOM 1034 CA LYS A 70 -1.430 -10.225 -27.031 1.00 0.00 C ATOM 1035 C LYS A 70 -2.372 -9.311 -26.254 1.00 0.00 C ATOM 1036 O LYS A 70 -3.040 -9.746 -25.316 1.00 0.00 O ATOM 1037 CB LYS A 70 -2.123 -10.729 -28.299 1.00 0.00 C ATOM 1038 CG LYS A 70 -2.130 -9.717 -29.431 1.00 0.00 C ATOM 1039 CD LYS A 70 -3.347 -9.888 -30.325 1.00 0.00 C ATOM 1040 CE LYS A 70 -3.060 -10.832 -31.483 1.00 0.00 C ATOM 1041 NZ LYS A 70 -2.105 -10.237 -32.459 1.00 0.00 N ATOM 0 H LYS A 70 -1.494 -12.223 -26.399 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.545 -9.653 -27.310 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.626 -11.638 -28.638 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.151 -10.999 -28.058 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.120 -8.708 -29.018 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.223 -9.828 -30.025 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.180 -10.274 -29.737 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.654 -8.917 -30.713 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.651 -11.766 -31.098 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.993 -11.078 -31.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.212 -10.707 -33.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.303 -9.221 -32.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.132 -10.367 -32.116 1.00 0.00 H new ATOM 1055 N GLN A 71 -2.421 -8.044 -26.651 1.00 0.00 N ATOM 1056 CA GLN A 71 -3.282 -7.069 -25.992 1.00 0.00 C ATOM 1057 C GLN A 71 -4.090 -6.277 -27.014 1.00 0.00 C ATOM 1058 O GLN A 71 -3.562 -5.390 -27.687 1.00 0.00 O ATOM 1059 CB GLN A 71 -2.447 -6.116 -25.135 1.00 0.00 C ATOM 1060 CG GLN A 71 -2.107 -6.672 -23.762 1.00 0.00 C ATOM 1061 CD GLN A 71 -1.882 -5.584 -22.731 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -0.961 -4.777 -22.854 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -2.726 -5.556 -21.706 1.00 0.00 N ATOM 0 H GLN A 71 -1.875 -7.668 -27.426 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.976 -7.611 -25.349 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.522 -5.882 -25.662 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.990 -5.179 -25.014 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.915 -7.323 -23.427 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.211 -7.288 -23.836 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.476 -6.245 -21.644 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.624 -4.846 -20.981 1.00 0.00 H new ATOM 1072 N LEU A 72 -5.373 -6.603 -27.127 1.00 0.00 N ATOM 1073 CA LEU A 72 -6.256 -5.921 -28.069 1.00 0.00 C ATOM 1074 C LEU A 72 -7.450 -5.305 -27.347 1.00 0.00 C ATOM 1075 O LEU A 72 -8.082 -5.950 -26.510 1.00 0.00 O ATOM 1076 CB LEU A 72 -6.741 -6.898 -29.141 1.00 0.00 C ATOM 1077 CG LEU A 72 -5.670 -7.446 -30.085 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -6.269 -8.470 -31.036 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -5.014 -6.313 -30.861 1.00 0.00 C ATOM 0 H LEU A 72 -5.825 -7.335 -26.579 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.691 -5.120 -28.545 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.224 -7.740 -28.645 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.504 -6.400 -29.740 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.905 -7.941 -29.487 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.492 -8.848 -31.700 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.691 -9.296 -30.463 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.055 -8.001 -31.628 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.254 -6.721 -31.528 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.769 -5.789 -31.448 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.548 -5.616 -30.164 1.00 0.00 H new ATOM 1091 N ARG A 73 -7.756 -4.056 -27.680 1.00 0.00 N ATOM 1092 CA ARG A 73 -8.875 -3.353 -27.065 1.00 0.00 C ATOM 1093 C ARG A 73 -10.162 -4.163 -27.192 1.00 0.00 C ATOM 1094 O ARG A 73 -10.885 -4.356 -26.215 1.00 0.00 O ATOM 1095 CB ARG A 73 -9.059 -1.979 -27.711 1.00 0.00 C ATOM 1096 CG ARG A 73 -10.243 -1.200 -27.159 1.00 0.00 C ATOM 1097 CD ARG A 73 -10.830 -0.265 -28.205 1.00 0.00 C ATOM 1098 NE ARG A 73 -9.868 0.743 -28.640 1.00 0.00 N ATOM 1099 CZ ARG A 73 -9.439 1.733 -27.865 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -9.885 1.846 -26.621 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -8.562 2.612 -28.333 1.00 0.00 N ATOM 0 H ARG A 73 -7.244 -3.510 -28.373 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.651 -3.222 -26.006 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.151 -1.394 -27.566 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.188 -2.106 -28.786 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.011 -1.895 -26.819 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.927 -0.623 -26.290 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.160 -0.846 -29.066 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.712 0.228 -27.796 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.505 0.684 -29.591 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.559 1.172 -26.258 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.554 2.607 -26.028 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.216 2.528 -29.289 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.234 3.372 -27.737 1.00 0.00 H new ATOM 1115 N SER A 74 -10.440 -4.635 -28.403 1.00 0.00 N ATOM 1116 CA SER A 74 -11.642 -5.421 -28.660 1.00 0.00 C ATOM 1117 C SER A 74 -11.380 -6.906 -28.426 1.00 0.00 C ATOM 1118 O SER A 74 -10.373 -7.450 -28.881 1.00 0.00 O ATOM 1119 CB SER A 74 -12.127 -5.196 -30.093 1.00 0.00 C ATOM 1120 OG SER A 74 -12.572 -3.863 -30.278 1.00 0.00 O ATOM 0 H SER A 74 -9.850 -4.487 -29.222 1.00 0.00 H new ATOM 0 HA SER A 74 -12.416 -5.093 -27.967 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.319 -5.413 -30.792 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.938 -5.888 -30.318 1.00 0.00 H new ATOM 0 HG SER A 74 -12.875 -3.745 -31.202 1.00 0.00 H new ATOM 1126 N LEU A 75 -12.293 -7.556 -27.714 1.00 0.00 N ATOM 1127 CA LEU A 75 -12.163 -8.979 -27.419 1.00 0.00 C ATOM 1128 C LEU A 75 -12.354 -9.816 -28.679 1.00 0.00 C ATOM 1129 O LEU A 75 -11.620 -10.774 -28.917 1.00 0.00 O ATOM 1130 CB LEU A 75 -13.182 -9.395 -26.357 1.00 0.00 C ATOM 1131 CG LEU A 75 -12.860 -10.673 -25.582 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -11.928 -10.372 -24.418 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -14.138 -11.333 -25.087 1.00 0.00 C ATOM 0 H LEU A 75 -13.132 -7.121 -27.330 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.157 -9.155 -27.037 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.287 -8.578 -25.643 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.150 -9.522 -26.841 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.355 -11.365 -26.255 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.710 -11.294 -23.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.999 -9.945 -24.797 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.406 -9.661 -23.744 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.889 -12.241 -24.538 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.671 -10.646 -24.430 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.770 -11.586 -25.938 1.00 0.00 H new ATOM 1145 N ALA A 76 -13.345 -9.446 -29.484 1.00 0.00 N ATOM 1146 CA ALA A 76 -13.630 -10.160 -30.722 1.00 0.00 C ATOM 1147 C ALA A 76 -12.353 -10.421 -31.513 1.00 0.00 C ATOM 1148 O ALA A 76 -11.911 -11.562 -31.640 1.00 0.00 O ATOM 1149 CB ALA A 76 -14.625 -9.377 -31.566 1.00 0.00 C ATOM 0 H ALA A 76 -13.964 -8.656 -29.301 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.069 -11.124 -30.463 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.829 -9.922 -32.488 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.553 -9.248 -31.008 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.207 -8.399 -31.807 1.00 0.00 H new ATOM 1155 N GLY A 77 -11.763 -9.354 -32.044 1.00 0.00 N ATOM 1156 CA GLY A 77 -10.542 -9.489 -32.817 1.00 0.00 C ATOM 1157 C GLY A 77 -9.527 -10.392 -32.144 1.00 0.00 C ATOM 1158 O GLY A 77 -8.892 -11.218 -32.799 1.00 0.00 O ATOM 0 H GLY A 77 -12.109 -8.399 -31.953 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.782 -9.888 -33.803 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.102 -8.504 -32.970 1.00 0.00 H new ATOM 1162 N MET A 78 -9.373 -10.234 -30.834 1.00 0.00 N ATOM 1163 CA MET A 78 -8.427 -11.043 -30.073 1.00 0.00 C ATOM 1164 C MET A 78 -8.814 -12.518 -30.119 1.00 0.00 C ATOM 1165 O MET A 78 -8.098 -13.340 -30.691 1.00 0.00 O ATOM 1166 CB MET A 78 -8.367 -10.564 -28.621 1.00 0.00 C ATOM 1167 CG MET A 78 -7.660 -11.536 -27.690 1.00 0.00 C ATOM 1168 SD MET A 78 -7.825 -11.079 -25.954 1.00 0.00 S ATOM 1169 CE MET A 78 -6.516 -9.867 -25.796 1.00 0.00 C ATOM 0 H MET A 78 -9.890 -9.554 -30.277 1.00 0.00 H new ATOM 0 HA MET A 78 -7.442 -10.930 -30.526 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.856 -9.602 -28.585 1.00 0.00 H new ATOM 0 HB3 MET A 78 -9.382 -10.399 -28.259 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.067 -12.536 -27.839 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.603 -11.580 -27.951 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.747 -9.187 -24.976 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.573 -10.374 -25.593 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.431 -9.301 -26.723 1.00 0.00 H new ATOM 1179 N LYS A 79 -9.949 -12.847 -29.512 1.00 0.00 N ATOM 1180 CA LYS A 79 -10.432 -14.222 -29.484 1.00 0.00 C ATOM 1181 C LYS A 79 -10.189 -14.911 -30.823 1.00 0.00 C ATOM 1182 O LYS A 79 -10.082 -16.136 -30.891 1.00 0.00 O ATOM 1183 CB LYS A 79 -11.924 -14.254 -29.144 1.00 0.00 C ATOM 1184 CG LYS A 79 -12.207 -14.291 -27.653 1.00 0.00 C ATOM 1185 CD LYS A 79 -13.561 -14.914 -27.358 1.00 0.00 C ATOM 1186 CE LYS A 79 -13.599 -15.532 -25.968 1.00 0.00 C ATOM 1187 NZ LYS A 79 -14.971 -15.512 -25.390 1.00 0.00 N ATOM 0 H LYS A 79 -10.552 -12.179 -29.032 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.879 -14.759 -28.713 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.405 -13.376 -29.575 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.376 -15.128 -29.613 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.426 -14.859 -27.147 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.176 -13.279 -27.251 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.338 -14.154 -27.441 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.781 -15.678 -28.103 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.241 -16.560 -26.018 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.920 -14.989 -25.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.955 -15.942 -24.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.303 -14.529 -25.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.614 -16.051 -26.004 1.00 0.00 H new ATOM 1201 N TYR A 80 -10.103 -14.117 -31.885 1.00 0.00 N ATOM 1202 CA TYR A 80 -9.875 -14.652 -33.222 1.00 0.00 C ATOM 1203 C TYR A 80 -8.389 -14.902 -33.462 1.00 0.00 C ATOM 1204 O TYR A 80 -8.007 -15.892 -34.087 1.00 0.00 O ATOM 1205 CB TYR A 80 -10.418 -13.688 -34.279 1.00 0.00 C ATOM 1206 CG TYR A 80 -10.073 -14.087 -35.696 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -10.367 -15.359 -36.171 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -9.454 -13.192 -36.560 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -10.054 -15.729 -37.464 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -9.139 -13.552 -37.855 1.00 0.00 C ATOM 1211 CZ TYR A 80 -9.440 -14.822 -38.303 1.00 0.00 C ATOM 1212 OH TYR A 80 -9.126 -15.185 -39.593 1.00 0.00 O ATOM 0 H TYR A 80 -10.188 -13.101 -31.846 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.403 -15.602 -33.301 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.502 -13.628 -34.181 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -10.024 -12.690 -34.085 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.849 -16.071 -35.517 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.215 -12.198 -36.213 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.288 -16.723 -37.816 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -8.659 -12.843 -38.514 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.699 -14.431 -40.050 1.00 0.00 H new ATOM 1222 N HIS A 81 -7.554 -13.998 -32.959 1.00 0.00 N ATOM 1223 CA HIS A 81 -6.109 -14.120 -33.116 1.00 0.00 C ATOM 1224 C HIS A 81 -5.612 -15.449 -32.555 1.00 0.00 C ATOM 1225 O HIS A 81 -4.580 -15.968 -32.981 1.00 0.00 O ATOM 1226 CB HIS A 81 -5.399 -12.960 -32.418 1.00 0.00 C ATOM 1227 CG HIS A 81 -5.000 -13.265 -31.007 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -5.300 -12.438 -29.945 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -4.321 -14.313 -30.486 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -4.822 -12.964 -28.832 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -4.224 -14.103 -29.132 1.00 0.00 N ATOM 0 H HIS A 81 -7.853 -13.173 -32.439 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.880 -14.087 -34.181 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -4.510 -12.693 -32.989 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.054 -12.089 -32.422 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.928 -15.157 -31.033 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.906 -12.536 -27.844 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.765 -14.725 -28.467 1.00 0.00 H new ATOM 1239 N VAL A 82 -6.352 -15.994 -31.595 1.00 0.00 N ATOM 1240 CA VAL A 82 -5.987 -17.262 -30.975 1.00 0.00 C ATOM 1241 C VAL A 82 -6.235 -18.429 -31.924 1.00 0.00 C ATOM 1242 O VAL A 82 -5.458 -19.383 -31.967 1.00 0.00 O ATOM 1243 CB VAL A 82 -6.775 -17.497 -29.672 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -6.484 -18.883 -29.115 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -6.444 -16.422 -28.649 1.00 0.00 C ATOM 0 H VAL A 82 -7.208 -15.577 -31.230 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.924 -17.206 -30.743 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.840 -17.438 -29.896 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.049 -19.031 -28.195 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.776 -19.637 -29.846 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.418 -18.974 -28.905 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.009 -16.603 -27.735 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.377 -16.447 -28.427 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.708 -15.444 -29.051 1.00 0.00 H new ATOM 1255 N MET A 83 -7.323 -18.347 -32.683 1.00 0.00 N ATOM 1256 CA MET A 83 -7.672 -19.396 -33.633 1.00 0.00 C ATOM 1257 C MET A 83 -6.941 -19.197 -34.957 1.00 0.00 C ATOM 1258 O MET A 83 -7.305 -19.788 -35.973 1.00 0.00 O ATOM 1259 CB MET A 83 -9.184 -19.417 -33.870 1.00 0.00 C ATOM 1260 CG MET A 83 -9.953 -20.196 -32.815 1.00 0.00 C ATOM 1261 SD MET A 83 -11.738 -20.130 -33.067 1.00 0.00 S ATOM 1262 CE MET A 83 -12.053 -18.387 -32.798 1.00 0.00 C ATOM 0 H MET A 83 -7.978 -17.565 -32.658 1.00 0.00 H new ATOM 0 HA MET A 83 -7.364 -20.352 -33.209 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.554 -18.392 -33.895 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.384 -19.852 -34.849 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.626 -21.236 -32.827 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.714 -19.798 -31.829 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.108 -18.239 -32.566 1.00 0.00 H new ATOM 0 HE2 MET A 83 -11.445 -18.032 -31.966 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.798 -17.828 -33.698 1.00 0.00 H new ATOM 1272 N ALA A 84 -5.910 -18.359 -34.937 1.00 0.00 N ATOM 1273 CA ALA A 84 -5.127 -18.083 -36.136 1.00 0.00 C ATOM 1274 C ALA A 84 -3.667 -18.476 -35.940 1.00 0.00 C ATOM 1275 O ALA A 84 -2.965 -18.790 -36.901 1.00 0.00 O ATOM 1276 CB ALA A 84 -5.234 -16.612 -36.509 1.00 0.00 C ATOM 0 H ALA A 84 -5.597 -17.860 -34.104 1.00 0.00 H new ATOM 0 HA ALA A 84 -5.532 -18.683 -36.951 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.645 -16.420 -37.406 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.277 -16.360 -36.700 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.857 -16.000 -35.689 1.00 0.00 H new ATOM 1282 N ASN A 85 -3.215 -18.456 -34.690 1.00 0.00 N ATOM 1283 CA ASN A 85 -1.837 -18.809 -34.369 1.00 0.00 C ATOM 1284 C ASN A 85 -1.788 -20.005 -33.424 1.00 0.00 C ATOM 1285 O ASN A 85 -0.915 -20.865 -33.538 1.00 0.00 O ATOM 1286 CB ASN A 85 -1.117 -17.616 -33.738 1.00 0.00 C ATOM 1287 CG ASN A 85 -0.916 -16.477 -34.719 1.00 0.00 C ATOM 1288 OD1 ASN A 85 0.054 -16.459 -35.477 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -1.835 -15.518 -34.709 1.00 0.00 N ATOM 0 H ASN A 85 -3.783 -18.199 -33.883 1.00 0.00 H new ATOM 0 HA ASN A 85 -1.332 -19.080 -35.296 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.692 -17.259 -32.884 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.148 -17.940 -33.358 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.753 -14.726 -35.347 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.623 -15.573 -34.064 1.00 0.00 H new ATOM 1296 N HIS A 86 -2.732 -20.053 -32.489 1.00 0.00 N ATOM 1297 CA HIS A 86 -2.798 -21.145 -31.524 1.00 0.00 C ATOM 1298 C HIS A 86 -3.886 -22.143 -31.906 1.00 0.00 C ATOM 1299 O HIS A 86 -5.072 -21.896 -31.691 1.00 0.00 O ATOM 1300 CB HIS A 86 -3.062 -20.597 -30.121 1.00 0.00 C ATOM 1301 CG HIS A 86 -2.364 -19.302 -29.842 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -1.016 -19.110 -30.064 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -2.834 -18.129 -29.357 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -0.688 -17.876 -29.727 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -1.773 -17.259 -29.295 1.00 0.00 N ATOM 0 H HIS A 86 -3.461 -19.349 -32.379 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.838 -21.662 -31.530 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.135 -20.457 -29.991 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.745 -21.337 -29.386 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.854 -17.917 -29.072 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.300 -17.445 -29.793 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.816 -16.294 -28.969 1.00 0.00 H new