USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 79 ASN : amide:sc= 0.475 K(o=1.4,f=-14!) USER MOD Set 1.2: A 82 SER OG : rot 43:sc= 0.913 USER MOD Set 2.1: A 40 HIS : no HD1:sc= -3.74! C(o=-9.7!,f=-16!) USER MOD Set 2.2: A 60 MET CE :methyl -140:sc= -5.97! (180deg=-5.8!) USER MOD Single : A 21 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.46) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0646 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.94) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 87:sc= 0.0911 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.054) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 110:sc= -1.01 USER MOD Single : A 54 SER OG : rot 69:sc= 0.538 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -138:sc= -2.93! (180deg=-4.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.098 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 83 SER OG : rot 37:sc= 0.149 USER MOD Single : A 86 SER OG : rot 180:sc= -0.65 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.91! K(o=-2.9!,f=-0.89) USER MOD Single : A 98 SER OG : rot -160:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= 0.684 (180deg=0.418) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 -1.106 5.907 -5.794 1.00 0.00 N ATOM 264 CA ASN A 21 -0.163 6.934 -5.383 1.00 0.00 C ATOM 265 C ASN A 21 0.084 6.819 -3.877 1.00 0.00 C ATOM 266 O ASN A 21 1.189 7.082 -3.404 1.00 0.00 O ATOM 267 CB ASN A 21 -0.714 8.333 -5.666 1.00 0.00 C ATOM 268 CG ASN A 21 -1.603 8.330 -6.911 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.311 7.699 -7.913 1.00 0.00 O ATOM 270 ND2 ASN A 21 -2.701 9.071 -6.793 1.00 0.00 N ATOM 0 HA ASN A 21 0.760 6.790 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.286 8.683 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.111 9.031 -5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.359 9.136 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.886 9.575 -5.925 1.00 0.00 H new ATOM 277 N TYR A 22 -0.962 6.426 -3.166 1.00 0.00 N ATOM 278 CA TYR A 22 -0.872 6.273 -1.724 1.00 0.00 C ATOM 279 C TYR A 22 -1.294 4.866 -1.294 1.00 0.00 C ATOM 280 O TYR A 22 -2.330 4.365 -1.728 1.00 0.00 O ATOM 281 CB TYR A 22 -1.850 7.289 -1.130 1.00 0.00 C ATOM 282 CG TYR A 22 -3.278 7.166 -1.668 1.00 0.00 C ATOM 283 CD1 TYR A 22 -3.641 7.835 -2.819 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.201 6.387 -1.002 1.00 0.00 C ATOM 285 CE1 TYR A 22 -4.984 7.720 -3.325 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.545 6.272 -1.508 1.00 0.00 C ATOM 287 CZ TYR A 22 -5.870 6.944 -2.644 1.00 0.00 C ATOM 288 OH TYR A 22 -7.138 6.835 -3.122 1.00 0.00 O ATOM 0 H TYR A 22 -1.877 6.209 -3.562 1.00 0.00 H new ATOM 0 HA TYR A 22 0.152 6.430 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.869 7.169 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.481 8.294 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.918 8.445 -3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.916 5.863 -0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.281 8.238 -4.225 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.278 5.666 -0.996 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.660 6.248 -2.535 1.00 0.00 H new ATOM 298 N THR A 23 -0.469 4.269 -0.447 1.00 0.00 N ATOM 299 CA THR A 23 -0.743 2.930 0.046 1.00 0.00 C ATOM 300 C THR A 23 -1.631 2.991 1.291 1.00 0.00 C ATOM 301 O THR A 23 -1.571 3.955 2.054 1.00 0.00 O ATOM 302 CB THR A 23 0.596 2.232 0.289 1.00 0.00 C ATOM 303 OG1 THR A 23 1.403 2.636 -0.814 1.00 0.00 O ATOM 304 CG2 THR A 23 0.499 0.712 0.142 1.00 0.00 C ATOM 0 H THR A 23 0.390 4.688 -0.089 1.00 0.00 H new ATOM 0 HA THR A 23 -1.302 2.346 -0.685 1.00 0.00 H new ATOM 0 HB THR A 23 0.958 2.478 1.287 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.291 2.230 -0.736 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.477 0.266 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.219 0.322 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.170 0.464 -0.867 1.00 0.00 H new ATOM 312 N TRP A 24 -2.433 1.950 1.459 1.00 0.00 N ATOM 313 CA TRP A 24 -3.331 1.874 2.598 1.00 0.00 C ATOM 314 C TRP A 24 -3.640 0.398 2.858 1.00 0.00 C ATOM 315 O TRP A 24 -3.311 -0.462 2.043 1.00 0.00 O ATOM 316 CB TRP A 24 -4.587 2.715 2.364 1.00 0.00 C ATOM 317 CG TRP A 24 -5.615 2.056 1.441 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.619 2.023 0.102 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.795 1.332 1.848 1.00 0.00 C ATOM 320 NE1 TRP A 24 -6.712 1.334 -0.383 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.450 0.900 0.712 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.294 1.052 3.132 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.639 0.162 0.747 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.483 0.313 3.149 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.154 -0.129 2.015 1.00 0.00 C ATOM 0 H TRP A 24 -2.479 1.152 0.825 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.862 2.294 3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.057 2.922 3.325 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.295 3.675 1.939 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.862 2.478 -0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.937 1.173 -1.365 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.799 1.381 4.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.132 -0.165 -0.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.909 0.069 4.111 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.069 -0.695 2.112 1.00 0.00 H new ATOM 336 N SER A 25 -4.270 0.150 3.998 1.00 0.00 N ATOM 337 CA SER A 25 -4.627 -1.207 4.375 1.00 0.00 C ATOM 338 C SER A 25 -5.842 -1.188 5.306 1.00 0.00 C ATOM 339 O SER A 25 -6.043 -0.231 6.051 1.00 0.00 O ATOM 340 CB SER A 25 -3.453 -1.918 5.050 1.00 0.00 C ATOM 341 OG SER A 25 -2.726 -1.047 5.913 1.00 0.00 O ATOM 0 H SER A 25 -4.542 0.866 4.672 1.00 0.00 H new ATOM 0 HA SER A 25 -4.879 -1.759 3.469 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.825 -2.768 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.783 -2.315 4.288 1.00 0.00 H new ATOM 0 HG SER A 25 -1.986 -1.539 6.326 1.00 0.00 H new ATOM 347 N GLN A 26 -6.620 -2.258 5.231 1.00 0.00 N ATOM 348 CA GLN A 26 -7.810 -2.377 6.057 1.00 0.00 C ATOM 349 C GLN A 26 -7.598 -3.433 7.144 1.00 0.00 C ATOM 350 O GLN A 26 -7.331 -4.595 6.842 1.00 0.00 O ATOM 351 CB GLN A 26 -9.038 -2.704 5.206 1.00 0.00 C ATOM 352 CG GLN A 26 -8.758 -3.881 4.269 1.00 0.00 C ATOM 353 CD GLN A 26 -10.046 -4.636 3.937 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.982 -4.099 3.368 1.00 0.00 O ATOM 355 NE2 GLN A 26 -10.042 -5.909 4.323 1.00 0.00 N ATOM 0 H GLN A 26 -6.450 -3.050 4.611 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.990 -1.417 6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.881 -2.943 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.323 -1.829 4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.298 -3.517 3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.044 -4.560 4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.225 -6.296 4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.856 -6.498 4.147 1.00 0.00 H new ATOM 364 N ASP A 27 -7.725 -2.991 8.387 1.00 0.00 N ATOM 365 CA ASP A 27 -7.551 -3.884 9.520 1.00 0.00 C ATOM 366 C ASP A 27 -8.716 -3.698 10.494 1.00 0.00 C ATOM 367 O ASP A 27 -9.506 -2.766 10.351 1.00 0.00 O ATOM 368 CB ASP A 27 -6.253 -3.575 10.270 1.00 0.00 C ATOM 369 CG ASP A 27 -4.972 -3.795 9.463 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.725 -2.972 8.555 1.00 0.00 O ATOM 371 OD2 ASP A 27 -4.268 -4.780 9.773 1.00 0.00 O ATOM 0 H ASP A 27 -7.946 -2.026 8.634 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.515 -4.906 9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.281 -2.537 10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.212 -4.196 11.165 1.00 0.00 H new ATOM 376 N TYR A 28 -8.785 -4.598 11.463 1.00 0.00 N ATOM 377 CA TYR A 28 -9.840 -4.545 12.461 1.00 0.00 C ATOM 378 C TYR A 28 -9.438 -3.653 13.636 1.00 0.00 C ATOM 379 O TYR A 28 -9.618 -4.027 14.794 1.00 0.00 O ATOM 380 CB TYR A 28 -10.018 -5.979 12.962 1.00 0.00 C ATOM 381 CG TYR A 28 -10.120 -7.021 11.846 1.00 0.00 C ATOM 382 CD1 TYR A 28 -11.305 -7.180 11.156 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.027 -7.801 11.529 1.00 0.00 C ATOM 384 CE1 TYR A 28 -11.400 -8.161 10.106 1.00 0.00 C ATOM 385 CE2 TYR A 28 -9.122 -8.782 10.479 1.00 0.00 C ATOM 386 CZ TYR A 28 -10.304 -8.913 9.819 1.00 0.00 C ATOM 387 OH TYR A 28 -10.394 -9.839 8.827 1.00 0.00 O ATOM 0 H TYR A 28 -8.127 -5.369 11.579 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.755 -4.135 12.032 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.178 -6.234 13.607 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -10.918 -6.029 13.575 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -12.160 -6.569 11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.100 -7.676 12.069 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.321 -8.296 9.559 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.274 -9.399 10.222 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.535 -10.301 8.732 1.00 0.00 H new ATOM 397 N THR A 29 -8.901 -2.489 13.298 1.00 0.00 N ATOM 398 CA THR A 29 -8.473 -1.540 14.312 1.00 0.00 C ATOM 399 C THR A 29 -8.559 -0.111 13.774 1.00 0.00 C ATOM 400 O THR A 29 -9.132 0.766 14.419 1.00 0.00 O ATOM 401 CB THR A 29 -7.066 -1.935 14.765 1.00 0.00 C ATOM 402 OG1 THR A 29 -6.272 -1.801 13.589 1.00 0.00 O ATOM 403 CG2 THR A 29 -6.960 -3.420 15.118 1.00 0.00 C ATOM 0 H THR A 29 -8.753 -2.182 12.337 1.00 0.00 H new ATOM 0 HA THR A 29 -9.130 -1.567 15.182 1.00 0.00 H new ATOM 0 HB THR A 29 -6.781 -1.335 15.629 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.948 -0.879 13.517 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.942 -3.647 15.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.651 -3.651 15.929 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.212 -4.021 14.244 1.00 0.00 H new ATOM 411 N ASP A 30 -7.980 0.081 12.597 1.00 0.00 N ATOM 412 CA ASP A 30 -7.985 1.389 11.965 1.00 0.00 C ATOM 413 C ASP A 30 -7.412 1.270 10.552 1.00 0.00 C ATOM 414 O ASP A 30 -6.991 0.191 10.138 1.00 0.00 O ATOM 415 CB ASP A 30 -7.118 2.380 12.745 1.00 0.00 C ATOM 416 CG ASP A 30 -5.711 1.883 13.082 1.00 0.00 C ATOM 417 OD1 ASP A 30 -5.353 0.800 12.568 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.024 2.596 13.845 1.00 0.00 O ATOM 0 H ASP A 30 -7.504 -0.648 12.065 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.014 1.749 11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.033 3.299 12.166 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.629 2.634 13.673 1.00 0.00 H new ATOM 423 N LEU A 31 -7.414 2.394 9.850 1.00 0.00 N ATOM 424 CA LEU A 31 -6.900 2.429 8.491 1.00 0.00 C ATOM 425 C LEU A 31 -5.535 3.119 8.485 1.00 0.00 C ATOM 426 O LEU A 31 -5.408 4.256 8.937 1.00 0.00 O ATOM 427 CB LEU A 31 -7.919 3.072 7.549 1.00 0.00 C ATOM 428 CG LEU A 31 -9.312 2.438 7.533 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.296 3.258 8.370 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.806 2.238 6.099 1.00 0.00 C ATOM 0 H LEU A 31 -7.763 3.287 10.197 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.748 1.417 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.023 4.122 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.517 3.043 6.536 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.245 1.451 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.278 2.786 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.945 3.306 9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.366 4.267 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.798 1.786 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.855 3.202 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.118 1.583 5.565 1.00 0.00 H new ATOM 442 N GLU A 32 -4.547 2.403 7.967 1.00 0.00 N ATOM 443 CA GLU A 32 -3.196 2.933 7.896 1.00 0.00 C ATOM 444 C GLU A 32 -2.813 3.215 6.442 1.00 0.00 C ATOM 445 O GLU A 32 -2.643 2.290 5.650 1.00 0.00 O ATOM 446 CB GLU A 32 -2.197 1.977 8.551 1.00 0.00 C ATOM 447 CG GLU A 32 -1.322 2.711 9.569 1.00 0.00 C ATOM 448 CD GLU A 32 -0.389 1.738 10.293 1.00 0.00 C ATOM 449 OE1 GLU A 32 -0.926 0.813 10.940 1.00 0.00 O ATOM 450 OE2 GLU A 32 0.839 1.941 10.182 1.00 0.00 O ATOM 0 H GLU A 32 -4.656 1.460 7.593 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.165 3.872 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.734 1.167 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.568 1.523 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.733 3.476 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.954 3.223 10.295 1.00 0.00 H new ATOM 457 N VAL A 33 -2.687 4.498 6.135 1.00 0.00 N ATOM 458 CA VAL A 33 -2.327 4.914 4.790 1.00 0.00 C ATOM 459 C VAL A 33 -1.086 5.807 4.852 1.00 0.00 C ATOM 460 O VAL A 33 -1.077 6.814 5.558 1.00 0.00 O ATOM 461 CB VAL A 33 -3.520 5.594 4.115 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.357 6.370 5.134 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.059 6.505 2.976 1.00 0.00 C ATOM 0 H VAL A 33 -2.828 5.263 6.795 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.075 4.048 4.177 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.151 4.816 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.198 6.844 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.730 5.685 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.740 7.135 5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.926 6.976 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.396 7.275 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.526 5.915 2.231 1.00 0.00 H new ATOM 473 N ARG A 34 -0.069 5.406 4.104 1.00 0.00 N ATOM 474 CA ARG A 34 1.173 6.157 4.065 1.00 0.00 C ATOM 475 C ARG A 34 1.443 6.664 2.647 1.00 0.00 C ATOM 476 O ARG A 34 1.309 5.915 1.680 1.00 0.00 O ATOM 477 CB ARG A 34 2.352 5.297 4.525 1.00 0.00 C ATOM 478 CG ARG A 34 2.642 5.514 6.011 1.00 0.00 C ATOM 479 CD ARG A 34 3.534 4.400 6.564 1.00 0.00 C ATOM 480 NE ARG A 34 2.711 3.222 6.918 1.00 0.00 N ATOM 481 CZ ARG A 34 2.475 2.194 6.092 1.00 0.00 C ATOM 482 NH1 ARG A 34 2.999 2.192 4.858 1.00 0.00 N ATOM 483 NH2 ARG A 34 1.716 1.167 6.499 1.00 0.00 N ATOM 0 H ARG A 34 -0.080 4.570 3.520 1.00 0.00 H new ATOM 0 HA ARG A 34 1.069 7.004 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.132 4.245 4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.237 5.543 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.129 6.479 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.705 5.545 6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.283 4.121 5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.072 4.756 7.443 1.00 0.00 H new ATOM 0 HE ARG A 34 2.297 3.191 7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.577 2.973 4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.819 1.409 4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.318 1.168 7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.537 0.385 5.870 1.00 0.00 H new ATOM 497 N VAL A 35 1.820 7.932 2.567 1.00 0.00 N ATOM 498 CA VAL A 35 2.110 8.547 1.283 1.00 0.00 C ATOM 499 C VAL A 35 3.610 8.833 1.187 1.00 0.00 C ATOM 500 O VAL A 35 4.205 9.365 2.122 1.00 0.00 O ATOM 501 CB VAL A 35 1.250 9.799 1.097 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.504 10.440 -0.269 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.234 9.477 1.283 1.00 0.00 C ATOM 0 H VAL A 35 1.931 8.550 3.371 1.00 0.00 H new ATOM 0 HA VAL A 35 1.855 7.869 0.468 1.00 0.00 H new ATOM 0 HB VAL A 35 1.536 10.519 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.881 11.328 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.554 10.722 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.259 9.727 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.823 10.384 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.539 8.731 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.398 9.086 2.287 1.00 0.00 H new ATOM 513 N PRO A 36 4.192 8.456 0.017 1.00 0.00 N ATOM 514 CA PRO A 36 5.611 8.666 -0.214 1.00 0.00 C ATOM 515 C PRO A 36 5.908 10.139 -0.501 1.00 0.00 C ATOM 516 O PRO A 36 5.148 10.804 -1.204 1.00 0.00 O ATOM 517 CB PRO A 36 5.960 7.753 -1.378 1.00 0.00 C ATOM 518 CG PRO A 36 4.640 7.417 -2.054 1.00 0.00 C ATOM 519 CD PRO A 36 3.518 7.823 -1.113 1.00 0.00 C ATOM 0 HA PRO A 36 6.218 8.427 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.640 8.247 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.461 6.850 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.552 7.945 -3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.585 6.351 -2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.825 8.511 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.937 6.958 -0.793 1.00 0.00 H new ATOM 527 N VAL A 37 7.015 10.607 0.059 1.00 0.00 N ATOM 528 CA VAL A 37 7.421 11.989 -0.128 1.00 0.00 C ATOM 529 C VAL A 37 8.848 12.027 -0.680 1.00 0.00 C ATOM 530 O VAL A 37 9.599 11.064 -0.533 1.00 0.00 O ATOM 531 CB VAL A 37 7.267 12.762 1.184 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.820 12.717 1.679 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.228 12.230 2.249 1.00 0.00 C ATOM 0 H VAL A 37 7.643 10.053 0.642 1.00 0.00 H new ATOM 0 HA VAL A 37 6.777 12.481 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 37 7.523 13.804 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.737 13.274 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.165 13.164 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.525 11.681 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.098 12.796 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.017 11.177 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.255 12.337 1.899 1.00 0.00 H new ATOM 543 N PRO A 38 9.187 13.178 -1.319 1.00 0.00 N ATOM 544 CA PRO A 38 10.510 13.354 -1.893 1.00 0.00 C ATOM 545 C PRO A 38 11.551 13.612 -0.802 1.00 0.00 C ATOM 546 O PRO A 38 11.212 13.692 0.377 1.00 0.00 O ATOM 547 CB PRO A 38 10.366 14.514 -2.864 1.00 0.00 C ATOM 548 CG PRO A 38 9.095 15.242 -2.459 1.00 0.00 C ATOM 549 CD PRO A 38 8.322 14.339 -1.511 1.00 0.00 C ATOM 0 HA PRO A 38 10.867 12.463 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.230 15.177 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.301 14.157 -3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.335 16.188 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.494 15.477 -3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.116 14.841 -0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.360 14.051 -1.935 1.00 0.00 H new ATOM 557 N LYS A 39 12.797 13.736 -1.236 1.00 0.00 N ATOM 558 CA LYS A 39 13.890 13.984 -0.311 1.00 0.00 C ATOM 559 C LYS A 39 14.014 15.489 -0.066 1.00 0.00 C ATOM 560 O LYS A 39 15.002 15.950 0.503 1.00 0.00 O ATOM 561 CB LYS A 39 15.179 13.336 -0.819 1.00 0.00 C ATOM 562 CG LYS A 39 14.915 11.919 -1.333 1.00 0.00 C ATOM 563 CD LYS A 39 15.020 10.896 -0.199 1.00 0.00 C ATOM 564 CE LYS A 39 15.966 9.755 -0.577 1.00 0.00 C ATOM 565 NZ LYS A 39 15.912 8.679 0.438 1.00 0.00 N ATOM 0 H LYS A 39 13.074 13.669 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 39 13.685 13.519 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.605 13.943 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.915 13.304 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.923 11.870 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.631 11.673 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.379 11.386 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.032 10.495 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.692 9.356 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.985 10.132 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.560 7.912 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.195 9.060 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.943 8.308 0.499 1.00 0.00 H new ATOM 579 N HIS A 40 12.997 16.214 -0.509 1.00 0.00 N ATOM 580 CA HIS A 40 12.979 17.658 -0.345 1.00 0.00 C ATOM 581 C HIS A 40 11.855 18.052 0.615 1.00 0.00 C ATOM 582 O HIS A 40 11.694 19.228 0.939 1.00 0.00 O ATOM 583 CB HIS A 40 12.873 18.357 -1.702 1.00 0.00 C ATOM 584 CG HIS A 40 11.464 18.444 -2.239 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.002 17.636 -3.264 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.422 19.249 -1.884 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.738 17.951 -3.507 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.381 18.950 -2.650 1.00 0.00 N ATOM 0 H HIS A 40 12.179 15.828 -0.981 1.00 0.00 H new ATOM 0 HA HIS A 40 13.919 17.989 0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.280 19.364 -1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.494 17.825 -2.423 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.441 20.002 -1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.102 17.497 -4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.464 19.394 -2.605 1.00 0.00 H new ATOM 596 N VAL A 41 11.106 17.046 1.042 1.00 0.00 N ATOM 597 CA VAL A 41 10.001 17.273 1.959 1.00 0.00 C ATOM 598 C VAL A 41 10.408 16.823 3.363 1.00 0.00 C ATOM 599 O VAL A 41 10.597 15.632 3.607 1.00 0.00 O ATOM 600 CB VAL A 41 8.743 16.569 1.446 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.694 16.446 2.554 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.169 17.291 0.225 1.00 0.00 C ATOM 0 H VAL A 41 11.242 16.072 0.770 1.00 0.00 H new ATOM 0 HA VAL A 41 9.763 18.335 2.015 1.00 0.00 H new ATOM 0 HB VAL A 41 9.025 15.562 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.810 15.942 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.105 15.868 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.419 17.440 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.276 16.770 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.910 18.315 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.912 17.304 -0.573 1.00 0.00 H new ATOM 612 N VAL A 42 10.532 17.799 4.250 1.00 0.00 N ATOM 613 CA VAL A 42 10.914 17.518 5.624 1.00 0.00 C ATOM 614 C VAL A 42 9.969 18.258 6.573 1.00 0.00 C ATOM 615 O VAL A 42 9.543 17.706 7.586 1.00 0.00 O ATOM 616 CB VAL A 42 12.385 17.879 5.843 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.303 16.936 5.061 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.652 19.338 5.471 1.00 0.00 C ATOM 0 H VAL A 42 10.375 18.786 4.044 1.00 0.00 H new ATOM 0 HA VAL A 42 10.820 16.453 5.836 1.00 0.00 H new ATOM 0 HB VAL A 42 12.606 17.758 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.343 17.214 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.141 15.911 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.080 17.010 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.704 19.569 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.406 19.497 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.036 19.990 6.091 1.00 0.00 H new ATOM 628 N LYS A 43 9.670 19.497 6.211 1.00 0.00 N ATOM 629 CA LYS A 43 8.784 20.319 7.017 1.00 0.00 C ATOM 630 C LYS A 43 7.335 19.895 6.767 1.00 0.00 C ATOM 631 O LYS A 43 6.992 19.463 5.668 1.00 0.00 O ATOM 632 CB LYS A 43 9.044 21.804 6.756 1.00 0.00 C ATOM 633 CG LYS A 43 10.192 22.320 7.626 1.00 0.00 C ATOM 634 CD LYS A 43 10.604 23.733 7.208 1.00 0.00 C ATOM 635 CE LYS A 43 12.126 23.851 7.099 1.00 0.00 C ATOM 636 NZ LYS A 43 12.595 25.102 7.735 1.00 0.00 N ATOM 0 H LYS A 43 10.026 19.951 5.370 1.00 0.00 H new ATOM 0 HA LYS A 43 8.983 20.167 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.284 21.956 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.140 22.377 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.888 22.321 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.047 21.648 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.147 23.980 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.231 24.454 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.598 22.993 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.424 23.835 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.630 25.167 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.158 25.918 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.327 25.102 8.740 1.00 0.00 H new ATOM 650 N GLY A 44 6.523 20.035 7.805 1.00 0.00 N ATOM 651 CA GLY A 44 5.119 19.673 7.712 1.00 0.00 C ATOM 652 C GLY A 44 4.324 20.747 6.968 1.00 0.00 C ATOM 653 O GLY A 44 3.168 20.531 6.608 1.00 0.00 O ATOM 0 H GLY A 44 6.811 20.394 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.019 18.718 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.707 19.538 8.712 1.00 0.00 H new ATOM 657 N LYS A 45 4.975 21.882 6.760 1.00 0.00 N ATOM 658 CA LYS A 45 4.343 22.991 6.065 1.00 0.00 C ATOM 659 C LYS A 45 4.435 22.760 4.555 1.00 0.00 C ATOM 660 O LYS A 45 3.765 23.438 3.778 1.00 0.00 O ATOM 661 CB LYS A 45 4.944 24.322 6.522 1.00 0.00 C ATOM 662 CG LYS A 45 6.347 24.517 5.944 1.00 0.00 C ATOM 663 CD LYS A 45 6.524 25.937 5.403 1.00 0.00 C ATOM 664 CE LYS A 45 7.908 26.488 5.751 1.00 0.00 C ATOM 665 NZ LYS A 45 7.904 27.085 7.105 1.00 0.00 N ATOM 0 H LYS A 45 5.934 22.058 7.060 1.00 0.00 H new ATOM 0 HA LYS A 45 3.283 23.044 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.300 25.143 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.988 24.351 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.092 24.322 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.519 23.796 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.390 25.937 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.755 26.587 5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.647 25.688 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.202 27.239 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.851 27.454 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.213 27.862 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.645 26.359 7.804 1.00 0.00 H new ATOM 679 N GLN A 46 5.272 21.801 4.185 1.00 0.00 N ATOM 680 CA GLN A 46 5.461 21.473 2.782 1.00 0.00 C ATOM 681 C GLN A 46 4.404 20.466 2.326 1.00 0.00 C ATOM 682 O GLN A 46 4.433 20.002 1.187 1.00 0.00 O ATOM 683 CB GLN A 46 6.872 20.940 2.529 1.00 0.00 C ATOM 684 CG GLN A 46 7.929 21.933 3.016 1.00 0.00 C ATOM 685 CD GLN A 46 9.135 21.955 2.075 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.786 22.969 1.882 1.00 0.00 O ATOM 687 NE2 GLN A 46 9.395 20.784 1.501 1.00 0.00 N ATOM 0 H GLN A 46 5.827 21.241 4.832 1.00 0.00 H new ATOM 0 HA GLN A 46 5.343 22.385 2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.001 19.986 3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.008 20.752 1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.494 22.931 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.252 21.662 4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.810 19.974 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.180 20.696 0.855 1.00 0.00 H new ATOM 696 N VAL A 47 3.494 20.156 3.239 1.00 0.00 N ATOM 697 CA VAL A 47 2.430 19.212 2.944 1.00 0.00 C ATOM 698 C VAL A 47 1.118 19.728 3.538 1.00 0.00 C ATOM 699 O VAL A 47 1.111 20.323 4.615 1.00 0.00 O ATOM 700 CB VAL A 47 2.810 17.819 3.453 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.471 16.994 2.348 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.714 17.913 4.683 1.00 0.00 C ATOM 0 H VAL A 47 3.472 20.542 4.183 1.00 0.00 H new ATOM 0 HA VAL A 47 2.287 19.122 1.867 1.00 0.00 H new ATOM 0 HB VAL A 47 1.894 17.309 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.731 16.009 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.779 16.884 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.374 17.500 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.969 16.910 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.626 18.451 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.192 18.445 5.478 1.00 0.00 H new ATOM 712 N SER A 48 0.038 19.480 2.811 1.00 0.00 N ATOM 713 CA SER A 48 -1.277 19.912 3.252 1.00 0.00 C ATOM 714 C SER A 48 -2.132 18.697 3.617 1.00 0.00 C ATOM 715 O SER A 48 -2.241 17.754 2.836 1.00 0.00 O ATOM 716 CB SER A 48 -1.973 20.747 2.175 1.00 0.00 C ATOM 717 OG SER A 48 -1.039 21.429 1.342 1.00 0.00 O ATOM 0 H SER A 48 0.047 18.985 1.919 1.00 0.00 H new ATOM 0 HA SER A 48 -1.152 20.539 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.600 20.099 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.633 21.473 2.649 1.00 0.00 H new ATOM 0 HG SER A 48 -1.522 21.949 0.667 1.00 0.00 H new ATOM 723 N VAL A 49 -2.716 18.760 4.805 1.00 0.00 N ATOM 724 CA VAL A 49 -3.558 17.676 5.283 1.00 0.00 C ATOM 725 C VAL A 49 -4.865 18.255 5.829 1.00 0.00 C ATOM 726 O VAL A 49 -4.853 19.039 6.776 1.00 0.00 O ATOM 727 CB VAL A 49 -2.798 16.839 6.314 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.675 15.708 6.855 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.498 16.290 5.723 1.00 0.00 C ATOM 0 H VAL A 49 -2.623 19.544 5.450 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.817 17.003 4.465 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.538 17.490 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.111 15.128 7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.560 16.130 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.979 15.059 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.977 15.699 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.727 15.661 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.863 17.118 5.409 1.00 0.00 H new ATOM 739 N ALA A 50 -5.961 17.845 5.207 1.00 0.00 N ATOM 740 CA ALA A 50 -7.273 18.312 5.619 1.00 0.00 C ATOM 741 C ALA A 50 -8.091 17.129 6.140 1.00 0.00 C ATOM 742 O ALA A 50 -8.279 16.140 5.432 1.00 0.00 O ATOM 743 CB ALA A 50 -7.954 19.021 4.446 1.00 0.00 C ATOM 0 H ALA A 50 -5.967 17.195 4.421 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.186 19.034 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.939 19.372 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.348 19.871 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.061 18.326 3.613 1.00 0.00 H new ATOM 749 N LEU A 51 -8.556 17.268 7.373 1.00 0.00 N ATOM 750 CA LEU A 51 -9.349 16.223 7.996 1.00 0.00 C ATOM 751 C LEU A 51 -10.670 16.817 8.489 1.00 0.00 C ATOM 752 O LEU A 51 -10.682 17.866 9.131 1.00 0.00 O ATOM 753 CB LEU A 51 -8.544 15.521 9.092 1.00 0.00 C ATOM 754 CG LEU A 51 -7.449 14.566 8.611 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.600 14.071 9.784 1.00 0.00 C ATOM 756 CD2 LEU A 51 -8.044 13.409 7.806 1.00 0.00 C ATOM 0 H LEU A 51 -8.398 18.089 7.957 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.598 15.449 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.084 16.282 9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.236 14.962 9.722 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.786 15.115 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.829 13.394 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.130 14.922 10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.235 13.544 10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.244 12.746 7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.743 12.852 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.570 13.803 6.936 1.00 0.00 H new ATOM 768 N SER A 52 -11.751 16.120 8.170 1.00 0.00 N ATOM 769 CA SER A 52 -13.074 16.565 8.573 1.00 0.00 C ATOM 770 C SER A 52 -13.865 15.394 9.158 1.00 0.00 C ATOM 771 O SER A 52 -14.313 15.452 10.302 1.00 0.00 O ATOM 772 CB SER A 52 -13.831 17.180 7.394 1.00 0.00 C ATOM 773 OG SER A 52 -13.265 18.423 6.986 1.00 0.00 O ATOM 0 H SER A 52 -11.737 15.250 7.637 1.00 0.00 H new ATOM 0 HA SER A 52 -12.958 17.334 9.337 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.822 16.485 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.874 17.330 7.672 1.00 0.00 H new ATOM 0 HG SER A 52 -13.775 18.782 6.230 1.00 0.00 H new ATOM 779 N SER A 53 -14.013 14.357 8.346 1.00 0.00 N ATOM 780 CA SER A 53 -14.742 13.173 8.770 1.00 0.00 C ATOM 781 C SER A 53 -14.892 12.204 7.595 1.00 0.00 C ATOM 782 O SER A 53 -14.577 11.021 7.717 1.00 0.00 O ATOM 783 CB SER A 53 -16.116 13.544 9.331 1.00 0.00 C ATOM 784 OG SER A 53 -16.930 12.396 9.553 1.00 0.00 O ATOM 0 H SER A 53 -13.641 14.312 7.397 1.00 0.00 H new ATOM 0 HA SER A 53 -14.175 12.687 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.990 14.086 10.268 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.621 14.218 8.638 1.00 0.00 H new ATOM 0 HG SER A 53 -17.037 12.252 10.516 1.00 0.00 H new ATOM 790 N SER A 54 -15.375 12.741 6.484 1.00 0.00 N ATOM 791 CA SER A 54 -15.571 11.938 5.289 1.00 0.00 C ATOM 792 C SER A 54 -14.794 12.544 4.119 1.00 0.00 C ATOM 793 O SER A 54 -15.280 12.559 2.988 1.00 0.00 O ATOM 794 CB SER A 54 -17.056 11.826 4.939 1.00 0.00 C ATOM 795 OG SER A 54 -17.546 13.004 4.306 1.00 0.00 O ATOM 0 H SER A 54 -15.636 13.722 6.386 1.00 0.00 H new ATOM 0 HA SER A 54 -15.195 10.934 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.210 10.970 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.629 11.637 5.847 1.00 0.00 H new ATOM 0 HG SER A 54 -17.146 13.087 3.415 1.00 0.00 H new ATOM 801 N SER A 55 -13.601 13.028 4.429 1.00 0.00 N ATOM 802 CA SER A 55 -12.752 13.634 3.417 1.00 0.00 C ATOM 803 C SER A 55 -11.307 13.696 3.915 1.00 0.00 C ATOM 804 O SER A 55 -11.065 13.879 5.107 1.00 0.00 O ATOM 805 CB SER A 55 -13.247 15.033 3.048 1.00 0.00 C ATOM 806 OG SER A 55 -14.067 15.596 4.069 1.00 0.00 O ATOM 0 H SER A 55 -13.201 13.013 5.367 1.00 0.00 H new ATOM 0 HA SER A 55 -12.794 13.016 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.392 15.685 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.811 14.984 2.116 1.00 0.00 H new ATOM 0 HG SER A 55 -14.362 16.490 3.796 1.00 0.00 H new ATOM 812 N ILE A 56 -10.384 13.541 2.977 1.00 0.00 N ATOM 813 CA ILE A 56 -8.969 13.577 3.306 1.00 0.00 C ATOM 814 C ILE A 56 -8.200 14.237 2.159 1.00 0.00 C ATOM 815 O ILE A 56 -8.620 14.167 1.005 1.00 0.00 O ATOM 816 CB ILE A 56 -8.465 12.177 3.659 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.048 12.233 4.233 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.559 11.240 2.454 1.00 0.00 C ATOM 819 CD1 ILE A 56 -6.015 12.439 3.123 1.00 0.00 C ATOM 0 H ILE A 56 -10.588 13.390 1.989 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.800 14.184 4.195 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.111 11.767 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.977 13.045 4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.832 11.309 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.194 10.251 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.597 11.166 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.952 11.634 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.016 12.475 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.073 11.613 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.219 13.376 2.605 1.00 0.00 H new ATOM 831 N ARG A 57 -7.088 14.861 2.517 1.00 0.00 N ATOM 832 CA ARG A 57 -6.257 15.532 1.532 1.00 0.00 C ATOM 833 C ARG A 57 -4.777 15.341 1.868 1.00 0.00 C ATOM 834 O ARG A 57 -4.379 15.463 3.026 1.00 0.00 O ATOM 835 CB ARG A 57 -6.571 17.029 1.475 1.00 0.00 C ATOM 836 CG ARG A 57 -6.015 17.657 0.195 1.00 0.00 C ATOM 837 CD ARG A 57 -6.059 19.184 0.269 1.00 0.00 C ATOM 838 NE ARG A 57 -6.653 19.734 -0.969 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.430 20.975 -1.422 1.00 0.00 C ATOM 840 NH1 ARG A 57 -5.625 21.803 -0.742 1.00 0.00 N ATOM 841 NH2 ARG A 57 -7.013 21.389 -2.556 1.00 0.00 N ATOM 0 H ARG A 57 -6.743 14.916 3.475 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.472 15.090 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.650 17.180 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.143 17.527 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.988 17.326 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.593 17.314 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.644 19.498 1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.052 19.579 0.406 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.271 19.131 -1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.182 21.489 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.456 22.748 -1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.626 20.759 -3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.843 22.334 -2.901 1.00 0.00 H new ATOM 855 N VAL A 58 -4.001 15.046 0.835 1.00 0.00 N ATOM 856 CA VAL A 58 -2.574 14.837 1.007 1.00 0.00 C ATOM 857 C VAL A 58 -1.826 15.463 -0.172 1.00 0.00 C ATOM 858 O VAL A 58 -1.759 14.877 -1.251 1.00 0.00 O ATOM 859 CB VAL A 58 -2.280 13.345 1.176 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.832 13.118 1.616 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.259 12.701 2.160 1.00 0.00 C ATOM 0 H VAL A 58 -4.334 14.947 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.223 15.329 1.914 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.415 12.865 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.649 12.049 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.155 13.524 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.659 13.618 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.028 11.641 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.170 13.187 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.277 12.816 1.788 1.00 0.00 H new ATOM 871 N ALA A 59 -1.283 16.646 0.075 1.00 0.00 N ATOM 872 CA ALA A 59 -0.542 17.359 -0.953 1.00 0.00 C ATOM 873 C ALA A 59 0.854 17.698 -0.426 1.00 0.00 C ATOM 874 O ALA A 59 1.071 17.742 0.784 1.00 0.00 O ATOM 875 CB ALA A 59 -1.325 18.604 -1.375 1.00 0.00 C ATOM 0 H ALA A 59 -1.341 17.129 0.972 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.417 16.737 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.770 19.139 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.297 18.307 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.466 19.255 -0.512 1.00 0.00 H new ATOM 881 N MET A 60 1.764 17.930 -1.361 1.00 0.00 N ATOM 882 CA MET A 60 3.132 18.265 -1.007 1.00 0.00 C ATOM 883 C MET A 60 3.670 19.388 -1.896 1.00 0.00 C ATOM 884 O MET A 60 3.353 19.451 -3.082 1.00 0.00 O ATOM 885 CB MET A 60 4.017 17.025 -1.159 1.00 0.00 C ATOM 886 CG MET A 60 3.952 16.477 -2.585 1.00 0.00 C ATOM 887 SD MET A 60 5.591 16.063 -3.156 1.00 0.00 S ATOM 888 CE MET A 60 6.373 17.663 -3.041 1.00 0.00 C ATOM 0 H MET A 60 1.580 17.892 -2.364 1.00 0.00 H new ATOM 0 HA MET A 60 3.146 18.608 0.027 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.048 17.277 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.697 16.257 -0.455 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.314 15.594 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.503 17.217 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.023 17.813 -3.903 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.609 18.441 -3.023 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.965 17.714 -2.127 1.00 0.00 H new ATOM 898 N LEU A 61 4.475 20.246 -1.287 1.00 0.00 N ATOM 899 CA LEU A 61 5.060 21.364 -2.009 1.00 0.00 C ATOM 900 C LEU A 61 6.230 20.861 -2.857 1.00 0.00 C ATOM 901 O LEU A 61 7.109 20.162 -2.357 1.00 0.00 O ATOM 902 CB LEU A 61 5.440 22.486 -1.041 1.00 0.00 C ATOM 903 CG LEU A 61 4.278 23.171 -0.318 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.707 24.525 0.250 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.059 23.293 -1.234 1.00 0.00 C ATOM 0 H LEU A 61 4.736 20.190 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 61 4.332 21.798 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.118 22.078 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.995 23.244 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 61 3.985 22.547 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.863 24.990 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.522 24.380 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.042 25.170 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.247 23.783 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.321 23.883 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.739 22.299 -1.547 1.00 0.00 H new ATOM 917 N GLU A 62 6.203 21.237 -4.128 1.00 0.00 N ATOM 918 CA GLU A 62 7.250 20.833 -5.050 1.00 0.00 C ATOM 919 C GLU A 62 8.338 21.907 -5.122 1.00 0.00 C ATOM 920 O GLU A 62 9.440 21.713 -4.612 1.00 0.00 O ATOM 921 CB GLU A 62 6.675 20.542 -6.438 1.00 0.00 C ATOM 922 CG GLU A 62 6.064 19.141 -6.495 1.00 0.00 C ATOM 923 CD GLU A 62 7.060 18.130 -7.066 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.445 18.314 -8.241 1.00 0.00 O ATOM 925 OE2 GLU A 62 7.416 17.197 -6.314 1.00 0.00 O ATOM 0 H GLU A 62 5.472 21.817 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 62 7.700 19.912 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.916 21.284 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.462 20.630 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.760 18.832 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.164 19.158 -7.110 1.00 0.00 H new ATOM 932 N GLU A 63 7.989 23.016 -5.758 1.00 0.00 N ATOM 933 CA GLU A 63 8.922 24.120 -5.902 1.00 0.00 C ATOM 934 C GLU A 63 8.172 25.405 -6.261 1.00 0.00 C ATOM 935 O GLU A 63 8.123 26.342 -5.465 1.00 0.00 O ATOM 936 CB GLU A 63 9.993 23.801 -6.947 1.00 0.00 C ATOM 937 CG GLU A 63 11.391 24.118 -6.414 1.00 0.00 C ATOM 938 CD GLU A 63 11.991 25.327 -7.134 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.232 26.297 -7.344 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.196 25.254 -7.458 1.00 0.00 O ATOM 0 H GLU A 63 7.073 23.173 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 63 9.426 24.270 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.935 22.748 -7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.806 24.378 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.340 24.316 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.040 23.252 -6.547 1.00 0.00 H new ATOM 947 N ASN A 64 7.607 25.408 -7.459 1.00 0.00 N ATOM 948 CA ASN A 64 6.863 26.562 -7.933 1.00 0.00 C ATOM 949 C ASN A 64 5.392 26.411 -7.539 1.00 0.00 C ATOM 950 O ASN A 64 4.601 27.336 -7.714 1.00 0.00 O ATOM 951 CB ASN A 64 6.935 26.677 -9.456 1.00 0.00 C ATOM 952 CG ASN A 64 8.035 27.652 -9.882 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.787 28.797 -10.220 1.00 0.00 O ATOM 954 ND2 ASN A 64 9.260 27.135 -9.845 1.00 0.00 N ATOM 0 H ASN A 64 7.650 24.629 -8.116 1.00 0.00 H new ATOM 0 HA ASN A 64 7.301 27.453 -7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.127 25.695 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.974 27.015 -9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.063 27.706 -10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.397 26.168 -9.552 1.00 0.00 H new ATOM 961 N GLY A 65 5.070 25.237 -7.015 1.00 0.00 N ATOM 962 CA GLY A 65 3.708 24.953 -6.595 1.00 0.00 C ATOM 963 C GLY A 65 3.664 23.741 -5.662 1.00 0.00 C ATOM 964 O GLY A 65 4.476 23.629 -4.745 1.00 0.00 O ATOM 0 H GLY A 65 5.729 24.472 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.291 25.823 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.085 24.766 -7.470 1.00 0.00 H new ATOM 968 N GLU A 66 2.706 22.865 -5.929 1.00 0.00 N ATOM 969 CA GLU A 66 2.545 21.665 -5.124 1.00 0.00 C ATOM 970 C GLU A 66 1.818 20.583 -5.925 1.00 0.00 C ATOM 971 O GLU A 66 1.502 20.780 -7.097 1.00 0.00 O ATOM 972 CB GLU A 66 1.805 21.974 -3.822 1.00 0.00 C ATOM 973 CG GLU A 66 0.293 22.026 -4.050 1.00 0.00 C ATOM 974 CD GLU A 66 -0.070 23.101 -5.077 1.00 0.00 C ATOM 975 OE1 GLU A 66 -0.259 24.258 -4.645 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.151 22.740 -6.271 1.00 0.00 O ATOM 0 H GLU A 66 2.034 22.962 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 66 3.535 21.291 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.038 21.213 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.149 22.928 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.060 21.054 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.214 22.233 -3.107 1.00 0.00 H new ATOM 983 N ARG A 67 1.574 19.463 -5.260 1.00 0.00 N ATOM 984 CA ARG A 67 0.890 18.350 -5.895 1.00 0.00 C ATOM 985 C ARG A 67 0.084 17.562 -4.861 1.00 0.00 C ATOM 986 O ARG A 67 0.549 17.341 -3.743 1.00 0.00 O ATOM 987 CB ARG A 67 1.885 17.410 -6.579 1.00 0.00 C ATOM 988 CG ARG A 67 1.161 16.253 -7.270 1.00 0.00 C ATOM 989 CD ARG A 67 1.940 15.771 -8.495 1.00 0.00 C ATOM 990 NE ARG A 67 1.001 15.374 -9.568 1.00 0.00 N ATOM 991 CZ ARG A 67 1.359 15.174 -10.844 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.637 15.334 -11.214 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.439 14.815 -11.749 1.00 0.00 N ATOM 0 H ARG A 67 1.838 19.303 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 67 0.218 18.761 -6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.471 17.966 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.585 17.017 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.033 15.429 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.163 16.572 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.599 16.563 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.574 14.927 -8.224 1.00 0.00 H new ATOM 0 HE ARG A 67 0.020 15.244 -9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.337 15.608 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.910 15.182 -12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.534 14.694 -11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.711 14.663 -12.720 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.110 17.160 -5.269 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.985 16.401 -4.391 1.00 0.00 C ATOM 1009 C VAL A 68 -1.697 14.908 -4.558 1.00 0.00 C ATOM 1010 O VAL A 68 -2.208 14.273 -5.479 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.446 16.763 -4.668 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.393 15.872 -3.863 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.708 18.243 -4.381 1.00 0.00 C ATOM 0 H VAL A 68 -1.493 17.345 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.793 16.654 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.640 16.588 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.425 16.150 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.233 14.829 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.197 16.001 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.753 18.474 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.488 18.455 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.070 18.856 -5.018 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.881 14.391 -3.652 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.519 12.984 -3.687 1.00 0.00 C ATOM 1025 C LEU A 69 -1.785 12.133 -3.570 1.00 0.00 C ATOM 1026 O LEU A 69 -2.086 11.336 -4.457 1.00 0.00 O ATOM 1027 CB LEU A 69 0.531 12.674 -2.618 1.00 0.00 C ATOM 1028 CG LEU A 69 1.751 13.596 -2.589 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.689 13.229 -1.437 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.472 13.594 -3.938 1.00 0.00 C ATOM 0 H LEU A 69 -0.460 14.921 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.053 12.734 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.048 12.712 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.877 11.651 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 69 1.405 14.614 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.548 13.900 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.157 13.324 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.031 12.201 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.335 14.258 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.804 12.582 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.791 13.941 -4.715 1.00 0.00 H new ATOM 1042 N MET A 70 -2.493 12.331 -2.468 1.00 0.00 N ATOM 1043 CA MET A 70 -3.720 11.592 -2.224 1.00 0.00 C ATOM 1044 C MET A 70 -4.842 12.527 -1.768 1.00 0.00 C ATOM 1045 O MET A 70 -4.645 13.351 -0.876 1.00 0.00 O ATOM 1046 CB MET A 70 -3.472 10.531 -1.150 1.00 0.00 C ATOM 1047 CG MET A 70 -4.790 9.925 -0.663 1.00 0.00 C ATOM 1048 SD MET A 70 -4.481 8.791 0.680 1.00 0.00 S ATOM 1049 CE MET A 70 -6.158 8.412 1.158 1.00 0.00 C ATOM 0 H MET A 70 -2.240 12.993 -1.734 1.00 0.00 H new ATOM 0 HA MET A 70 -4.026 11.115 -3.155 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.832 9.745 -1.551 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.940 10.977 -0.309 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.464 10.716 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.285 9.405 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.232 8.397 2.245 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.830 9.171 0.759 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.437 7.436 0.762 1.00 0.00 H new ATOM 1059 N GLU A 71 -5.995 12.369 -2.401 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.149 13.189 -2.072 1.00 0.00 C ATOM 1061 C GLU A 71 -8.432 12.529 -2.581 1.00 0.00 C ATOM 1062 O GLU A 71 -8.402 11.773 -3.551 1.00 0.00 O ATOM 1063 CB GLU A 71 -6.997 14.602 -2.638 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.187 15.480 -2.247 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.336 15.322 -3.245 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.042 15.353 -4.459 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.483 15.172 -2.770 1.00 0.00 O ATOM 0 H GLU A 71 -6.155 11.685 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.213 13.273 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.074 15.048 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.916 14.556 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.529 15.211 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.876 16.524 -2.207 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.528 12.839 -1.904 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.819 12.286 -2.277 1.00 0.00 C ATOM 1076 C GLY A 72 -11.720 12.125 -1.051 1.00 0.00 C ATOM 1077 O GLY A 72 -11.233 11.913 0.059 1.00 0.00 O ATOM 0 H GLY A 72 -9.549 13.466 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.302 12.938 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.679 11.319 -2.760 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.018 12.232 -1.292 1.00 0.00 N ATOM 1082 CA LYS A 73 -13.992 12.101 -0.222 1.00 0.00 C ATOM 1083 C LYS A 73 -14.013 10.652 0.267 1.00 0.00 C ATOM 1084 O LYS A 73 -14.189 9.727 -0.525 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.359 12.617 -0.675 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.278 14.085 -1.101 1.00 0.00 C ATOM 1087 CD LYS A 73 -15.709 15.010 0.038 1.00 0.00 C ATOM 1088 CE LYS A 73 -16.838 15.941 -0.409 1.00 0.00 C ATOM 1089 NZ LYS A 73 -16.562 17.332 0.015 1.00 0.00 N ATOM 0 H LYS A 73 -13.418 12.408 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.709 12.721 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.722 12.013 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.079 12.509 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.258 14.324 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.915 14.251 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.039 14.415 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.857 15.601 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.944 15.899 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.784 15.606 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.338 17.950 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.484 17.370 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.670 17.654 -0.412 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.831 10.498 1.571 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.827 9.177 2.175 1.00 0.00 C ATOM 1105 C LEU A 74 -15.184 8.509 1.940 1.00 0.00 C ATOM 1106 O LEU A 74 -16.180 9.187 1.695 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.433 9.264 3.651 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.007 9.739 3.937 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.905 10.356 5.333 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -11.001 8.604 3.737 1.00 0.00 C ATOM 0 H LEU A 74 -13.685 11.267 2.225 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.074 8.545 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.127 9.938 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.564 8.280 4.100 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.757 10.521 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.881 10.685 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.579 11.210 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.182 9.613 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.995 8.968 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.239 7.784 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.051 8.250 2.707 1.00 0.00 H new ATOM 1122 N THR A 75 -15.178 7.186 2.022 1.00 0.00 N ATOM 1123 CA THR A 75 -16.396 6.419 1.820 1.00 0.00 C ATOM 1124 C THR A 75 -17.338 6.591 3.013 1.00 0.00 C ATOM 1125 O THR A 75 -18.555 6.652 2.844 1.00 0.00 O ATOM 1126 CB THR A 75 -16.000 4.964 1.563 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.646 4.467 2.851 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.710 4.842 0.749 1.00 0.00 C ATOM 0 H THR A 75 -14.350 6.626 2.225 1.00 0.00 H new ATOM 0 HA THR A 75 -16.951 6.778 0.953 1.00 0.00 H new ATOM 0 HB THR A 75 -16.809 4.456 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.378 3.527 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.475 3.789 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.842 5.329 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.893 5.321 1.288 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.739 6.664 4.193 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.510 6.827 5.414 1.00 0.00 C ATOM 1138 C HIS A 76 -16.878 7.921 6.278 1.00 0.00 C ATOM 1139 O HIS A 76 -15.926 8.577 5.857 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.647 5.494 6.153 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.956 4.785 5.900 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -19.930 4.640 6.872 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -19.441 4.182 4.776 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -20.951 3.978 6.347 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -20.645 3.695 5.048 1.00 0.00 N ATOM 0 H HIS A 76 -15.729 6.613 4.329 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.523 7.146 5.168 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.827 4.840 5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.542 5.671 7.223 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.931 4.113 3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.864 3.710 6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.244 3.192 4.393 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.432 8.083 7.470 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.934 9.086 8.396 1.00 0.00 C ATOM 1155 C LYS A 77 -15.853 8.464 9.282 1.00 0.00 C ATOM 1156 O LYS A 77 -15.637 7.254 9.247 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.089 9.710 9.182 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.960 10.583 8.277 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.928 11.434 9.103 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.341 12.693 8.337 1.00 0.00 C ATOM 1161 NZ LYS A 77 -21.812 12.748 8.186 1.00 0.00 N ATOM 0 H LYS A 77 -18.221 7.537 7.816 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.468 9.908 7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.697 8.923 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.693 10.311 10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.326 11.231 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.522 9.952 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.813 10.848 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.458 11.715 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.990 13.579 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.868 12.700 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.075 13.608 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.139 11.911 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.257 12.763 9.126 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.201 9.320 10.055 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.148 8.870 10.948 1.00 0.00 C ATOM 1177 C ILE A 78 -14.149 9.736 12.210 1.00 0.00 C ATOM 1178 O ILE A 78 -15.052 10.546 12.409 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.802 8.845 10.220 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.493 10.206 9.594 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.757 7.716 9.189 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.409 10.941 10.386 1.00 0.00 C ATOM 0 H ILE A 78 -15.382 10.323 10.081 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.332 7.844 11.266 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.021 8.642 10.953 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.166 10.070 8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.399 10.811 9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.790 7.721 8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.900 6.759 9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.549 7.863 8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.208 11.906 9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.749 11.097 11.410 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.496 10.345 10.393 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.126 9.536 13.027 1.00 0.00 N ATOM 1195 CA ASN A 79 -12.997 10.289 14.263 1.00 0.00 C ATOM 1196 C ASN A 79 -11.760 11.185 14.183 1.00 0.00 C ATOM 1197 O ASN A 79 -10.738 10.897 14.804 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.827 9.354 15.463 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.161 10.074 16.771 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -12.355 10.794 17.337 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.392 9.839 17.218 1.00 0.00 N ATOM 0 H ASN A 79 -12.378 8.863 12.857 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.903 10.881 14.393 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.475 8.485 15.346 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.802 8.985 15.498 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.711 10.273 18.084 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.016 9.225 16.694 1.00 0.00 H new ATOM 1208 N THR A 80 -11.894 12.256 13.413 1.00 0.00 N ATOM 1209 CA THR A 80 -10.799 13.196 13.244 1.00 0.00 C ATOM 1210 C THR A 80 -10.084 13.428 14.576 1.00 0.00 C ATOM 1211 O THR A 80 -8.860 13.546 14.616 1.00 0.00 O ATOM 1212 CB THR A 80 -11.368 14.477 12.629 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.323 14.927 13.585 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.198 14.205 11.373 1.00 0.00 C ATOM 0 H THR A 80 -12.743 12.493 12.900 1.00 0.00 H new ATOM 0 HA THR A 80 -10.040 12.802 12.568 1.00 0.00 H new ATOM 0 HB THR A 80 -10.551 15.156 12.384 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.739 15.755 13.267 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.578 15.147 10.977 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.574 13.721 10.622 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.035 13.553 11.624 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.878 13.487 15.635 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.336 13.702 16.966 1.00 0.00 C ATOM 1224 C GLU A 81 -9.335 12.599 17.317 1.00 0.00 C ATOM 1225 O GLU A 81 -8.214 12.883 17.736 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.454 13.779 18.008 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.294 15.044 17.817 1.00 0.00 C ATOM 1228 CD GLU A 81 -13.180 15.302 19.037 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -14.042 14.438 19.306 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -12.976 16.359 19.674 1.00 0.00 O ATOM 0 H GLU A 81 -11.893 13.390 15.598 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.811 14.657 16.973 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.092 12.899 17.928 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.024 13.771 19.010 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.638 15.899 17.652 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.915 14.942 16.927 1.00 0.00 H new ATOM 1237 N SER A 82 -9.777 11.363 17.132 1.00 0.00 N ATOM 1238 CA SER A 82 -8.934 10.216 17.424 1.00 0.00 C ATOM 1239 C SER A 82 -7.910 10.021 16.304 1.00 0.00 C ATOM 1240 O SER A 82 -6.863 9.410 16.514 1.00 0.00 O ATOM 1241 CB SER A 82 -9.772 8.949 17.604 1.00 0.00 C ATOM 1242 OG SER A 82 -10.853 9.148 18.511 1.00 0.00 O ATOM 0 H SER A 82 -10.707 11.131 16.784 1.00 0.00 H new ATOM 0 HA SER A 82 -8.408 10.407 18.359 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.164 8.633 16.637 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.136 8.143 17.969 1.00 0.00 H new ATOM 0 HG SER A 82 -11.280 10.011 18.327 1.00 0.00 H new ATOM 1248 N SER A 83 -8.247 10.552 15.138 1.00 0.00 N ATOM 1249 CA SER A 83 -7.370 10.444 13.984 1.00 0.00 C ATOM 1250 C SER A 83 -6.185 11.399 14.137 1.00 0.00 C ATOM 1251 O SER A 83 -6.255 12.364 14.896 1.00 0.00 O ATOM 1252 CB SER A 83 -8.127 10.739 12.688 1.00 0.00 C ATOM 1253 OG SER A 83 -9.377 10.058 12.632 1.00 0.00 O ATOM 0 H SER A 83 -9.116 11.059 14.967 1.00 0.00 H new ATOM 0 HA SER A 83 -6.999 9.421 13.930 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.295 11.813 12.603 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.515 10.444 11.836 1.00 0.00 H new ATOM 0 HG SER A 83 -9.781 10.041 13.525 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.124 11.096 13.403 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.925 11.916 13.447 1.00 0.00 C ATOM 1261 C LEU A 84 -3.198 11.822 12.104 1.00 0.00 C ATOM 1262 O LEU A 84 -3.646 11.119 11.200 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.056 11.530 14.646 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.063 10.389 14.414 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.634 10.922 14.296 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.189 9.323 15.504 1.00 0.00 C ATOM 0 H LEU A 84 -5.070 10.294 12.775 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.185 12.964 13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.499 12.411 14.965 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.712 11.252 15.471 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.307 9.910 13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.052 10.091 14.132 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.572 11.615 13.457 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.362 11.440 15.215 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.472 8.524 15.316 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.985 9.771 16.476 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.199 8.914 15.498 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.089 12.540 12.017 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.295 12.546 10.799 1.00 0.00 C ATOM 1280 C TRP A 85 0.080 13.127 11.134 1.00 0.00 C ATOM 1281 O TRP A 85 0.177 14.215 11.700 1.00 0.00 O ATOM 1282 CB TRP A 85 -2.011 13.309 9.682 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.633 14.789 9.599 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.197 15.822 10.239 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.577 15.363 8.799 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.585 17.015 9.912 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.569 16.727 9.009 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.340 14.750 7.928 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.336 17.593 8.383 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.238 15.630 7.310 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.259 17.005 7.511 1.00 0.00 C ATOM 0 H TRP A 85 -1.721 13.122 12.769 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.162 11.533 10.420 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.785 12.833 8.728 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.088 13.227 9.832 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.027 15.732 10.925 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.833 17.938 10.268 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.351 13.685 7.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.322 18.658 8.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 1.965 15.211 6.630 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.985 17.617 6.996 1.00 0.00 H new ATOM 1302 N SER A 86 1.109 12.376 10.770 1.00 0.00 N ATOM 1303 CA SER A 86 2.474 12.803 11.025 1.00 0.00 C ATOM 1304 C SER A 86 3.276 12.797 9.722 1.00 0.00 C ATOM 1305 O SER A 86 3.134 11.888 8.906 1.00 0.00 O ATOM 1306 CB SER A 86 3.147 11.905 12.066 1.00 0.00 C ATOM 1307 OG SER A 86 3.762 10.766 11.470 1.00 0.00 O ATOM 0 H SER A 86 1.025 11.474 10.301 1.00 0.00 H new ATOM 0 HA SER A 86 2.446 13.817 11.423 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.897 12.479 12.610 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.406 11.577 12.795 1.00 0.00 H new ATOM 0 HG SER A 86 4.182 10.219 12.166 1.00 0.00 H new ATOM 1313 N LEU A 87 4.100 13.823 9.567 1.00 0.00 N ATOM 1314 CA LEU A 87 4.925 13.948 8.377 1.00 0.00 C ATOM 1315 C LEU A 87 6.351 13.500 8.701 1.00 0.00 C ATOM 1316 O LEU A 87 6.871 13.800 9.775 1.00 0.00 O ATOM 1317 CB LEU A 87 4.839 15.367 7.812 1.00 0.00 C ATOM 1318 CG LEU A 87 5.866 15.724 6.736 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.211 16.094 7.363 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.002 14.595 5.712 1.00 0.00 C ATOM 0 H LEU A 87 4.214 14.576 10.246 1.00 0.00 H new ATOM 0 HA LEU A 87 4.557 13.293 7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.842 15.511 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.946 16.072 8.636 1.00 0.00 H new ATOM 0 HG LEU A 87 5.508 16.603 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.923 16.343 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.082 16.953 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.588 15.249 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.738 14.874 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.326 13.684 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.039 14.421 5.232 1.00 0.00 H new ATOM 1332 N GLU A 88 6.944 12.790 7.753 1.00 0.00 N ATOM 1333 CA GLU A 88 8.301 12.298 7.924 1.00 0.00 C ATOM 1334 C GLU A 88 9.215 12.876 6.842 1.00 0.00 C ATOM 1335 O GLU A 88 8.865 12.876 5.663 1.00 0.00 O ATOM 1336 CB GLU A 88 8.335 10.768 7.911 1.00 0.00 C ATOM 1337 CG GLU A 88 7.496 10.191 9.053 1.00 0.00 C ATOM 1338 CD GLU A 88 8.269 9.107 9.807 1.00 0.00 C ATOM 1339 OE1 GLU A 88 8.592 8.087 9.161 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.518 9.322 11.013 1.00 0.00 O ATOM 0 H GLU A 88 6.510 12.543 6.864 1.00 0.00 H new ATOM 0 HA GLU A 88 8.667 12.629 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.958 10.400 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.365 10.423 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.215 10.988 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.571 9.773 8.655 1.00 0.00 H new ATOM 1347 N PRO A 89 10.401 13.367 7.294 1.00 0.00 N ATOM 1348 CA PRO A 89 11.368 13.947 6.378 1.00 0.00 C ATOM 1349 C PRO A 89 12.085 12.858 5.576 1.00 0.00 C ATOM 1350 O PRO A 89 12.668 11.941 6.151 1.00 0.00 O ATOM 1351 CB PRO A 89 12.309 14.753 7.258 1.00 0.00 C ATOM 1352 CG PRO A 89 12.116 14.223 8.669 1.00 0.00 C ATOM 1353 CD PRO A 89 10.849 13.383 8.683 1.00 0.00 C ATOM 0 HA PRO A 89 10.905 14.584 5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.343 14.635 6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.078 15.817 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.974 13.624 8.972 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.036 15.047 9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.046 12.375 9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.093 13.817 9.338 1.00 0.00 H new ATOM 1361 N GLY A 90 12.017 12.996 4.260 1.00 0.00 N ATOM 1362 CA GLY A 90 12.652 12.036 3.373 1.00 0.00 C ATOM 1363 C GLY A 90 12.154 10.616 3.655 1.00 0.00 C ATOM 1364 O GLY A 90 12.949 9.682 3.742 1.00 0.00 O ATOM 0 H GLY A 90 11.532 13.758 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.443 12.300 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.734 12.078 3.500 1.00 0.00 H new ATOM 1368 N LYS A 91 10.841 10.500 3.791 1.00 0.00 N ATOM 1369 CA LYS A 91 10.229 9.211 4.061 1.00 0.00 C ATOM 1370 C LYS A 91 8.843 9.164 3.415 1.00 0.00 C ATOM 1371 O LYS A 91 8.723 8.964 2.207 1.00 0.00 O ATOM 1372 CB LYS A 91 10.216 8.928 5.565 1.00 0.00 C ATOM 1373 CG LYS A 91 11.498 8.215 6.000 1.00 0.00 C ATOM 1374 CD LYS A 91 11.199 6.793 6.478 1.00 0.00 C ATOM 1375 CE LYS A 91 11.379 5.784 5.341 1.00 0.00 C ATOM 1376 NZ LYS A 91 11.433 4.405 5.876 1.00 0.00 N ATOM 0 H LYS A 91 10.185 11.277 3.719 1.00 0.00 H new ATOM 0 HA LYS A 91 10.817 8.409 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.112 9.864 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.351 8.314 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.201 8.182 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.978 8.778 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.861 6.537 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.179 6.740 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.555 5.874 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.295 6.004 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.555 3.733 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.234 4.319 6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.548 4.193 6.379 1.00 0.00 H new ATOM 1390 N CYS A 92 7.830 9.352 4.248 1.00 0.00 N ATOM 1391 CA CYS A 92 6.457 9.334 3.773 1.00 0.00 C ATOM 1392 C CYS A 92 5.579 10.033 4.813 1.00 0.00 C ATOM 1393 O CYS A 92 6.066 10.445 5.865 1.00 0.00 O ATOM 1394 CB CYS A 92 5.976 7.910 3.486 1.00 0.00 C ATOM 1395 SG CYS A 92 6.713 6.746 4.690 1.00 0.00 S ATOM 0 H CYS A 92 7.933 9.518 5.249 1.00 0.00 H new ATOM 0 HA CYS A 92 6.391 9.868 2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.888 7.866 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.253 7.621 2.472 1.00 0.00 H new ATOM 0 HG CYS A 92 6.296 5.540 4.439 1.00 0.00 H new ATOM 1401 N VAL A 93 4.301 10.147 4.482 1.00 0.00 N ATOM 1402 CA VAL A 93 3.351 10.789 5.374 1.00 0.00 C ATOM 1403 C VAL A 93 2.544 9.718 6.110 1.00 0.00 C ATOM 1404 O VAL A 93 2.080 8.757 5.498 1.00 0.00 O ATOM 1405 CB VAL A 93 2.473 11.766 4.589 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.489 12.484 5.514 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.328 12.769 3.812 1.00 0.00 C ATOM 0 H VAL A 93 3.901 9.805 3.608 1.00 0.00 H new ATOM 0 HA VAL A 93 3.874 11.377 6.128 1.00 0.00 H new ATOM 0 HB VAL A 93 1.894 11.190 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.877 13.172 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.846 11.751 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.041 13.041 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.679 13.452 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.946 13.336 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.969 12.234 3.111 1.00 0.00 H new ATOM 1417 N LEU A 94 2.400 9.920 7.411 1.00 0.00 N ATOM 1418 CA LEU A 94 1.657 8.983 8.236 1.00 0.00 C ATOM 1419 C LEU A 94 0.269 9.557 8.528 1.00 0.00 C ATOM 1420 O LEU A 94 0.141 10.721 8.906 1.00 0.00 O ATOM 1421 CB LEU A 94 2.452 8.628 9.494 1.00 0.00 C ATOM 1422 CG LEU A 94 2.041 7.337 10.206 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.706 7.512 10.932 1.00 0.00 C ATOM 1424 CD2 LEU A 94 2.014 6.159 9.230 1.00 0.00 C ATOM 0 H LEU A 94 2.785 10.719 7.914 1.00 0.00 H new ATOM 0 HA LEU A 94 1.509 8.043 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.505 8.551 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.363 9.453 10.201 1.00 0.00 H new ATOM 0 HG LEU A 94 2.791 7.110 10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.437 6.580 11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.796 8.306 11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.068 7.775 10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.719 5.254 9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.298 6.363 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.006 6.020 8.799 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.737 8.715 8.342 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.110 9.124 8.580 1.00 0.00 C ATOM 1438 C VAL A 95 -2.863 7.988 9.276 1.00 0.00 C ATOM 1439 O VAL A 95 -2.895 6.864 8.778 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.763 9.557 7.266 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.234 9.920 7.478 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -1.998 10.719 6.630 1.00 0.00 C ATOM 0 H VAL A 95 -0.628 7.750 8.029 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.141 9.989 9.243 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.722 8.713 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.674 10.224 6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.770 9.054 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.307 10.741 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.483 11.007 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.992 11.568 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.973 10.411 6.425 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.449 8.321 10.416 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.199 7.342 11.185 1.00 0.00 C ATOM 1454 C ASN A 96 -5.683 7.715 11.167 1.00 0.00 C ATOM 1455 O ASN A 96 -6.048 8.842 11.496 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.736 7.316 12.643 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.775 6.152 12.892 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -3.155 5.085 13.347 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.512 6.415 12.570 1.00 0.00 N ATOM 0 H ASN A 96 -3.420 9.255 10.826 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.035 6.362 10.737 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.244 8.257 12.889 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.600 7.226 13.301 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.794 5.702 12.699 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.261 7.329 12.194 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.499 6.745 10.779 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.935 6.957 10.714 1.00 0.00 C ATOM 1468 C LEU A 97 -8.627 6.046 11.729 1.00 0.00 C ATOM 1469 O LEU A 97 -8.527 4.823 11.640 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.439 6.776 9.281 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.908 7.776 8.251 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.758 7.757 6.980 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.806 9.179 8.852 1.00 0.00 C ATOM 0 H LEU A 97 -6.193 5.811 10.507 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.181 7.983 10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.178 5.771 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.527 6.837 9.289 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.900 7.473 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.359 8.476 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.735 6.759 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.786 8.022 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.426 9.870 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.792 9.507 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.127 9.161 9.704 1.00 0.00 H new ATOM 1485 N SER A 98 -9.314 6.676 12.671 1.00 0.00 N ATOM 1486 CA SER A 98 -10.023 5.937 13.702 1.00 0.00 C ATOM 1487 C SER A 98 -11.492 5.768 13.308 1.00 0.00 C ATOM 1488 O SER A 98 -12.245 6.740 13.273 1.00 0.00 O ATOM 1489 CB SER A 98 -9.914 6.640 15.056 1.00 0.00 C ATOM 1490 OG SER A 98 -8.906 6.060 15.879 1.00 0.00 O ATOM 0 H SER A 98 -9.395 7.690 12.742 1.00 0.00 H new ATOM 0 HA SER A 98 -9.563 4.953 13.796 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.691 7.695 14.900 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.874 6.589 15.569 1.00 0.00 H new ATOM 0 HG SER A 98 -9.068 6.302 16.815 1.00 0.00 H new ATOM 1496 N LYS A 99 -11.855 4.527 13.021 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.220 4.217 12.631 1.00 0.00 C ATOM 1498 C LYS A 99 -14.176 4.661 13.741 1.00 0.00 C ATOM 1499 O LYS A 99 -13.860 4.536 14.923 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.350 2.738 12.263 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.394 2.370 11.126 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.048 0.881 11.161 1.00 0.00 C ATOM 1503 CE LYS A 99 -11.888 0.321 9.746 1.00 0.00 C ATOM 1504 NZ LYS A 99 -11.902 -1.159 9.770 1.00 0.00 N ATOM 0 H LYS A 99 -11.227 3.724 13.051 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.494 4.770 11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.136 2.122 13.136 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.376 2.523 11.964 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.850 2.619 10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.482 2.961 11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.125 0.732 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.832 0.334 11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.694 0.688 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.953 0.675 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.182 -1.519 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.953 -1.511 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.582 -1.488 10.485 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.324 5.170 13.320 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.328 5.633 14.264 1.00 0.00 C ATOM 1520 C VAL A 100 -17.249 4.468 14.634 1.00 0.00 C ATOM 1521 O VAL A 100 -18.468 4.624 14.671 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.082 6.829 13.680 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.169 8.051 13.567 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.701 6.480 12.325 1.00 0.00 C ATOM 0 H VAL A 100 -15.582 5.272 12.338 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.857 5.980 15.184 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.893 7.079 14.364 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.730 8.887 13.149 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.798 8.321 14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.327 7.817 12.915 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.231 7.348 11.933 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.914 6.190 11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.400 5.653 12.447 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.630 3.327 14.900 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.378 2.137 15.266 1.00 0.00 C ATOM 1536 C GLY A 101 -16.974 0.946 14.396 1.00 0.00 C ATOM 1537 O GLY A 101 -16.183 1.092 13.466 1.00 0.00 O ATOM 0 H GLY A 101 -15.618 3.202 14.869 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.202 1.901 16.316 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.446 2.326 15.156 1.00 0.00 H new ATOM 1541 N GLU A 102 -17.537 -0.207 14.728 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.245 -1.423 13.988 1.00 0.00 C ATOM 1543 C GLU A 102 -17.807 -1.328 12.569 1.00 0.00 C ATOM 1544 O GLU A 102 -18.977 -1.631 12.339 1.00 0.00 O ATOM 1545 CB GLU A 102 -17.795 -2.652 14.715 1.00 0.00 C ATOM 1546 CG GLU A 102 -16.938 -2.997 15.934 1.00 0.00 C ATOM 1547 CD GLU A 102 -17.305 -4.375 16.490 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -18.446 -4.501 16.985 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -16.437 -5.270 16.408 1.00 0.00 O ATOM 0 H GLU A 102 -18.194 -0.325 15.500 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.163 -1.535 13.922 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.822 -2.464 15.029 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.821 -3.501 14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.884 -2.981 15.658 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.077 -2.240 16.706 1.00 0.00 H new ATOM 1556 N TYR A 103 -16.948 -0.907 11.653 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.344 -0.768 10.262 1.00 0.00 C ATOM 1558 C TYR A 103 -16.363 -1.493 9.338 1.00 0.00 C ATOM 1559 O TYR A 103 -15.206 -1.704 9.697 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.299 0.730 9.958 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.543 1.496 10.416 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.739 1.330 9.749 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.467 2.351 11.496 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.910 2.050 10.181 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.637 3.071 11.927 1.00 0.00 C ATOM 1566 CZ TYR A 103 -20.801 2.885 11.248 1.00 0.00 C ATOM 1567 OH TYR A 103 -21.906 3.565 11.656 1.00 0.00 O ATOM 0 H TYR A 103 -15.978 -0.657 11.847 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.332 -1.198 10.100 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.421 1.162 10.439 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.174 0.869 8.884 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -19.798 0.661 8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.530 2.480 12.018 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.853 1.929 9.669 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.592 3.744 12.771 1.00 0.00 H new ATOM 0 HH TYR A 103 -21.680 4.123 12.430 1.00 0.00 H new ATOM 1577 N TRP A 104 -16.863 -1.856 8.165 1.00 0.00 N ATOM 1578 CA TRP A 104 -16.045 -2.553 7.187 1.00 0.00 C ATOM 1579 C TRP A 104 -15.670 -1.556 6.088 1.00 0.00 C ATOM 1580 O TRP A 104 -16.542 -1.024 5.404 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.768 -3.790 6.650 1.00 0.00 C ATOM 1582 CG TRP A 104 -16.050 -4.473 5.484 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -16.048 -4.114 4.193 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -15.224 -5.654 5.556 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -15.285 -4.975 3.430 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -14.768 -5.941 4.286 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -14.875 -6.454 6.658 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -13.936 -7.030 3.998 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -14.043 -7.538 6.354 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -13.575 -7.840 5.080 1.00 0.00 C ATOM 0 H TRP A 104 -17.824 -1.680 7.870 1.00 0.00 H new ATOM 0 HA TRP A 104 -15.130 -2.927 7.646 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -16.888 -4.509 7.461 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.769 -3.502 6.329 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.577 -3.259 3.799 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -15.129 -4.914 2.424 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -15.221 -6.249 7.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -13.592 -7.234 2.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -13.744 -8.185 7.166 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -12.935 -8.697 4.926 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.370 -1.334 5.954 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.869 -0.411 4.950 1.00 0.00 C ATOM 1603 C TRP A 105 -13.407 -1.229 3.743 1.00 0.00 C ATOM 1604 O TRP A 105 -12.589 -2.137 3.881 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.766 0.479 5.526 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.285 1.666 6.341 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.050 1.639 7.441 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.044 3.063 6.074 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.319 2.913 7.901 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.688 3.806 7.043 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.307 3.680 5.048 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.659 5.205 7.081 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.289 5.079 5.100 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.931 5.841 6.069 1.00 0.00 C ATOM 0 H TRP A 105 -13.649 -1.777 6.524 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.655 0.271 4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.118 -0.127 6.159 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.152 0.854 4.707 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.411 0.735 7.909 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -14.878 3.154 8.720 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.795 3.119 4.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.171 5.764 7.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.738 5.603 4.333 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.868 6.919 6.041 1.00 0.00 H new ATOM 1625 N ASN A 106 -13.952 -0.879 2.588 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.606 -1.571 1.357 1.00 0.00 C ATOM 1627 C ASN A 106 -12.768 -0.643 0.475 1.00 0.00 C ATOM 1628 O ASN A 106 -12.339 -1.034 -0.610 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.861 -1.962 0.574 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.828 -0.782 0.461 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -15.735 0.047 -0.429 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.758 -0.752 1.411 1.00 0.00 N ATOM 0 H ASN A 106 -14.631 -0.126 2.478 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.050 -2.471 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.580 -2.303 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.357 -2.797 1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.450 -0.003 1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.779 -1.478 2.127 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.562 0.567 0.972 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.783 1.553 0.242 1.00 0.00 C ATOM 1641 C ALA A 107 -11.621 2.808 1.103 1.00 0.00 C ATOM 1642 O ALA A 107 -12.370 3.011 2.057 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.460 1.848 -1.098 1.00 0.00 C ATOM 0 H ALA A 107 -12.921 0.888 1.871 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.785 1.171 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.876 2.588 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.524 0.931 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.463 2.236 -0.921 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.639 3.617 0.734 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.369 4.846 1.460 1.00 0.00 C ATOM 1651 C ILE A 108 -11.261 5.963 0.913 1.00 0.00 C ATOM 1652 O ILE A 108 -11.862 6.714 1.680 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.876 5.176 1.420 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.043 4.016 1.970 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.584 6.488 2.151 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.049 4.013 3.500 1.00 0.00 C ATOM 0 H ILE A 108 -10.020 3.445 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.617 4.727 2.515 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.585 5.316 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.440 3.071 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.018 4.095 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.515 6.699 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.134 7.300 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.894 6.401 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.450 3.179 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.629 4.949 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.073 3.909 3.860 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.319 6.036 -0.408 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.127 7.048 -1.067 1.00 0.00 C ATOM 1670 C LEU A 109 -13.283 6.370 -1.805 1.00 0.00 C ATOM 1671 O LEU A 109 -13.242 5.168 -2.060 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.255 7.928 -1.965 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.998 8.511 -1.317 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.166 9.291 -2.337 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.355 9.363 -0.097 1.00 0.00 C ATOM 0 H LEU A 109 -10.820 5.411 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.569 7.721 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.953 7.341 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.865 8.752 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.381 7.684 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.278 9.695 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.865 8.626 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.761 10.109 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.444 9.766 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.003 10.184 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.873 8.747 0.638 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.287 7.172 -2.129 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.453 6.665 -2.832 1.00 0.00 C ATOM 1689 C GLU A 110 -15.095 6.334 -4.283 1.00 0.00 C ATOM 1690 O GLU A 110 -15.848 5.646 -4.970 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.610 7.664 -2.768 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.625 7.258 -1.697 1.00 0.00 C ATOM 1693 CD GLU A 110 -19.055 7.358 -2.231 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.506 6.362 -2.835 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.665 8.430 -2.023 1.00 0.00 O ATOM 0 H GLU A 110 -14.317 8.169 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.780 5.749 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.224 8.660 -2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.102 7.719 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.426 6.237 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.514 7.900 -0.823 1.00 0.00 H new