USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=17 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 120:sc= -1.56! USER MOD Set 1.2: A 68 CYS SG : rot -36:sc= -0.515 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -7.98! C(o=-11!,f=-9.9!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -1.4 K(o=-11,f=-9.9) USER MOD Set 2.1: A 64 THR OG1 : rot 28:sc= 0.221 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.0446 X(o=0.27,f=0.15) USER MOD Set 3.1: A 37 CYS SG : rot 174:sc= -0.337 USER MOD Set 3.2: A 39 THR OG1 : rot 88:sc= -0.037 USER MOD Set 3.3: A 40 CYS SG : rot -57:sc= -0.22 USER MOD Set 3.4: A 54 HIS : no HD1:sc= -0.262 K(o=-0.86,f=-0.19) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.263 USER MOD Single : A 41 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0144 (180deg=-0.429) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -156:sc= -3.94 (180deg=-5.66!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -143:sc= 0 (180deg=-0.186) 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 -119:sc= -0.458 (180deg=-0.592) USER MOD Single : A 85 ASN : amide:sc= 0.0546 X(o=0.055,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.190 9.021 -0.063 1.00 0.00 N ATOM 263 CA SER A 20 -4.793 8.838 -1.378 1.00 0.00 C ATOM 264 C SER A 20 -4.138 7.677 -2.120 1.00 0.00 C ATOM 265 O SER A 20 -3.148 7.109 -1.658 1.00 0.00 O ATOM 266 CB SER A 20 -4.669 10.121 -2.202 1.00 0.00 C ATOM 267 OG SER A 20 -5.782 10.972 -1.993 1.00 0.00 O ATOM 0 HA SER A 20 -5.849 8.606 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.752 10.644 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.592 9.871 -3.260 1.00 0.00 H new ATOM 0 HG SER A 20 -5.677 11.785 -2.530 1.00 0.00 H new ATOM 273 N LEU A 21 -4.697 7.330 -3.274 1.00 0.00 N ATOM 274 CA LEU A 21 -4.168 6.237 -4.082 1.00 0.00 C ATOM 275 C LEU A 21 -2.693 6.458 -4.398 1.00 0.00 C ATOM 276 O LEU A 21 -1.844 5.638 -4.050 1.00 0.00 O ATOM 277 CB LEU A 21 -4.966 6.104 -5.381 1.00 0.00 C ATOM 278 CG LEU A 21 -6.172 5.166 -5.335 1.00 0.00 C ATOM 279 CD1 LEU A 21 -7.101 5.433 -6.509 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.718 3.714 -5.331 1.00 0.00 C ATOM 0 H LEU A 21 -5.516 7.790 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.263 5.315 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.313 7.095 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.292 5.758 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.721 5.356 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.954 4.756 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.453 6.464 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.563 5.271 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.590 3.060 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.145 3.509 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.094 3.530 -4.457 1.00 0.00 H new ATOM 292 N GLU A 22 -2.395 7.572 -5.059 1.00 0.00 N ATOM 293 CA GLU A 22 -1.021 7.901 -5.421 1.00 0.00 C ATOM 294 C GLU A 22 -0.047 7.421 -4.349 1.00 0.00 C ATOM 295 O GLU A 22 0.977 6.811 -4.656 1.00 0.00 O ATOM 296 CB GLU A 22 -0.871 9.410 -5.622 1.00 0.00 C ATOM 297 CG GLU A 22 -1.523 9.922 -6.896 1.00 0.00 C ATOM 298 CD GLU A 22 -1.735 11.424 -6.880 1.00 0.00 C ATOM 299 OE1 GLU A 22 -2.206 11.945 -5.847 1.00 0.00 O ATOM 300 OE2 GLU A 22 -1.430 12.077 -7.899 1.00 0.00 O ATOM 0 H GLU A 22 -3.086 8.262 -5.355 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.786 7.392 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.307 9.927 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.189 9.662 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.901 9.656 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.483 9.425 -7.034 1.00 0.00 H new ATOM 307 N GLU A 23 -0.374 7.701 -3.091 1.00 0.00 N ATOM 308 CA GLU A 23 0.473 7.298 -1.974 1.00 0.00 C ATOM 309 C GLU A 23 0.635 5.782 -1.933 1.00 0.00 C ATOM 310 O GLU A 23 1.752 5.268 -1.886 1.00 0.00 O ATOM 311 CB GLU A 23 -0.117 7.795 -0.653 1.00 0.00 C ATOM 312 CG GLU A 23 0.814 7.616 0.535 1.00 0.00 C ATOM 313 CD GLU A 23 0.494 8.564 1.674 1.00 0.00 C ATOM 314 OE1 GLU A 23 0.930 9.733 1.615 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.194 8.136 2.625 1.00 0.00 O ATOM 0 H GLU A 23 -1.218 8.205 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 23 1.456 7.747 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.368 8.851 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.048 7.263 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.747 6.589 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.843 7.775 0.213 1.00 0.00 H new ATOM 322 N GLN A 24 -0.489 5.072 -1.951 1.00 0.00 N ATOM 323 CA GLN A 24 -0.471 3.614 -1.914 1.00 0.00 C ATOM 324 C GLN A 24 0.464 3.054 -2.981 1.00 0.00 C ATOM 325 O GLN A 24 1.356 2.260 -2.683 1.00 0.00 O ATOM 326 CB GLN A 24 -1.883 3.061 -2.116 1.00 0.00 C ATOM 327 CG GLN A 24 -2.799 3.283 -0.923 1.00 0.00 C ATOM 328 CD GLN A 24 -4.131 2.574 -1.070 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.426 1.992 -2.115 1.00 0.00 O ATOM 330 NE2 GLN A 24 -4.945 2.618 -0.022 1.00 0.00 N ATOM 0 H GLN A 24 -1.422 5.482 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.103 3.305 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.325 3.529 -2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.820 1.992 -2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.303 2.932 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.973 4.352 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.661 3.111 0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.855 2.158 -0.063 1.00 0.00 H new ATOM 339 N TRP A 25 0.254 3.472 -4.224 1.00 0.00 N ATOM 340 CA TRP A 25 1.078 3.011 -5.335 1.00 0.00 C ATOM 341 C TRP A 25 2.558 3.232 -5.043 1.00 0.00 C ATOM 342 O TRP A 25 3.354 2.293 -5.074 1.00 0.00 O ATOM 343 CB TRP A 25 0.686 3.737 -6.623 1.00 0.00 C ATOM 344 CG TRP A 25 -0.776 3.639 -6.938 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.609 2.597 -6.647 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.576 4.619 -7.608 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.879 2.871 -7.094 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.885 4.106 -7.687 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.314 5.882 -8.147 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.926 4.812 -8.284 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.348 6.581 -8.739 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.641 6.045 -8.803 1.00 0.00 C ATOM 0 H TRP A 25 -0.480 4.129 -4.488 1.00 0.00 H new ATOM 0 HA TRP A 25 0.907 1.942 -5.462 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.962 4.788 -6.538 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.258 3.323 -7.453 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.313 1.691 -6.140 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.686 2.255 -7.000 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.321 6.304 -8.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.923 4.401 -8.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.157 7.557 -9.160 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.428 6.617 -9.271 1.00 0.00 H new ATOM 363 N TYR A 26 2.921 4.478 -4.758 1.00 0.00 N ATOM 364 CA TYR A 26 4.307 4.822 -4.463 1.00 0.00 C ATOM 365 C TYR A 26 4.972 3.732 -3.627 1.00 0.00 C ATOM 366 O TYR A 26 6.001 3.177 -4.015 1.00 0.00 O ATOM 367 CB TYR A 26 4.376 6.160 -3.724 1.00 0.00 C ATOM 368 CG TYR A 26 5.784 6.593 -3.387 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.692 6.916 -4.389 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.209 6.679 -2.067 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.980 7.312 -4.086 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.495 7.075 -1.754 1.00 0.00 C ATOM 373 CZ TYR A 26 8.377 7.390 -2.767 1.00 0.00 C ATOM 374 OH TYR A 26 9.659 7.784 -2.460 1.00 0.00 O ATOM 0 H TYR A 26 2.275 5.266 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 26 4.843 4.908 -5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.905 6.929 -4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.797 6.087 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.385 6.856 -5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.522 6.432 -1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.672 7.559 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.808 7.138 -0.722 1.00 0.00 H new ATOM 0 HH TYR A 26 9.776 7.787 -1.487 1.00 0.00 H new ATOM 384 N LEU A 27 4.377 3.430 -2.479 1.00 0.00 N ATOM 385 CA LEU A 27 4.910 2.406 -1.587 1.00 0.00 C ATOM 386 C LEU A 27 5.247 1.134 -2.358 1.00 0.00 C ATOM 387 O LEU A 27 6.395 0.692 -2.371 1.00 0.00 O ATOM 388 CB LEU A 27 3.902 2.093 -0.479 1.00 0.00 C ATOM 389 CG LEU A 27 3.625 3.221 0.515 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.495 2.836 1.457 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.884 3.561 1.300 1.00 0.00 C ATOM 0 H LEU A 27 3.525 3.879 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 27 5.826 2.790 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.959 1.806 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.260 1.226 0.076 1.00 0.00 H new ATOM 0 HG LEU A 27 3.319 4.106 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.312 3.651 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.590 2.643 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.772 1.938 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.668 4.366 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.220 2.681 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.667 3.880 0.612 1.00 0.00 H new ATOM 403 N GLU A 28 4.239 0.553 -3.001 1.00 0.00 N ATOM 404 CA GLU A 28 4.430 -0.668 -3.775 1.00 0.00 C ATOM 405 C GLU A 28 5.737 -0.614 -4.561 1.00 0.00 C ATOM 406 O GLU A 28 6.311 -1.648 -4.903 1.00 0.00 O ATOM 407 CB GLU A 28 3.255 -0.880 -4.732 1.00 0.00 C ATOM 408 CG GLU A 28 3.219 -2.266 -5.354 1.00 0.00 C ATOM 409 CD GLU A 28 1.811 -2.722 -5.682 1.00 0.00 C ATOM 410 OE1 GLU A 28 0.928 -1.854 -5.842 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.592 -3.948 -5.777 1.00 0.00 O ATOM 0 H GLU A 28 3.283 0.908 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 28 4.478 -1.506 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.323 -0.708 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.306 -0.136 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.819 -2.267 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.678 -2.979 -4.669 1.00 0.00 H new ATOM 418 N ILE A 29 6.201 0.599 -4.845 1.00 0.00 N ATOM 419 CA ILE A 29 7.439 0.788 -5.590 1.00 0.00 C ATOM 420 C ILE A 29 8.638 0.868 -4.651 1.00 0.00 C ATOM 421 O ILE A 29 9.641 0.181 -4.846 1.00 0.00 O ATOM 422 CB ILE A 29 7.389 2.063 -6.451 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.085 2.115 -7.249 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.590 2.120 -7.384 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.617 3.521 -7.551 1.00 0.00 C ATOM 0 H ILE A 29 5.738 1.465 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 29 7.549 -0.077 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 29 7.424 2.930 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.221 1.577 -8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.307 1.593 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.540 3.027 -7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.508 2.125 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.583 1.249 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.688 3.481 -8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.449 4.057 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.377 4.040 -8.135 1.00 0.00 H new ATOM 437 N VAL A 30 8.528 1.712 -3.629 1.00 0.00 N ATOM 438 CA VAL A 30 9.601 1.880 -2.658 1.00 0.00 C ATOM 439 C VAL A 30 9.835 0.597 -1.868 1.00 0.00 C ATOM 440 O VAL A 30 10.863 0.439 -1.210 1.00 0.00 O ATOM 441 CB VAL A 30 9.294 3.026 -1.675 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.642 4.192 -2.402 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.409 2.532 -0.541 1.00 0.00 C ATOM 0 H VAL A 30 7.706 2.290 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 30 10.501 2.125 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 30 10.233 3.376 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.432 4.992 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.315 4.561 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.710 3.860 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.202 3.354 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.471 2.155 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.919 1.732 -0.004 1.00 0.00 H new ATOM 453 N ASP A 31 8.873 -0.316 -1.937 1.00 0.00 N ATOM 454 CA ASP A 31 8.974 -1.588 -1.230 1.00 0.00 C ATOM 455 C ASP A 31 9.378 -2.709 -2.182 1.00 0.00 C ATOM 456 O ASP A 31 10.081 -3.643 -1.796 1.00 0.00 O ATOM 457 CB ASP A 31 7.643 -1.928 -0.558 1.00 0.00 C ATOM 458 CG ASP A 31 7.821 -2.801 0.670 1.00 0.00 C ATOM 459 OD1 ASP A 31 8.768 -2.549 1.444 1.00 0.00 O ATOM 460 OD2 ASP A 31 7.013 -3.734 0.856 1.00 0.00 O ATOM 0 H ASP A 31 8.014 -0.200 -2.475 1.00 0.00 H new ATOM 0 HA ASP A 31 9.745 -1.490 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.136 -1.006 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.998 -2.439 -1.273 1.00 0.00 H new ATOM 465 N LYS A 32 8.929 -2.610 -3.429 1.00 0.00 N ATOM 466 CA LYS A 32 9.244 -3.615 -4.438 1.00 0.00 C ATOM 467 C LYS A 32 10.123 -3.026 -5.537 1.00 0.00 C ATOM 468 O LYS A 32 11.204 -3.538 -5.822 1.00 0.00 O ATOM 469 CB LYS A 32 7.957 -4.178 -5.045 1.00 0.00 C ATOM 470 CG LYS A 32 6.896 -4.519 -4.014 1.00 0.00 C ATOM 471 CD LYS A 32 7.375 -5.597 -3.056 1.00 0.00 C ATOM 472 CE LYS A 32 6.721 -5.461 -1.690 1.00 0.00 C ATOM 473 NZ LYS A 32 5.365 -6.077 -1.661 1.00 0.00 N ATOM 0 H LYS A 32 8.346 -1.844 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 32 9.793 -4.422 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.549 -3.451 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.197 -5.074 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.632 -3.623 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.991 -4.856 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.151 -6.580 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.458 -5.535 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.351 -5.934 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.646 -4.406 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.952 -5.964 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.756 -5.609 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.439 -7.089 -1.888 1.00 0.00 H new ATOM 487 N GLY A 33 9.650 -1.945 -6.150 1.00 0.00 N ATOM 488 CA GLY A 33 10.406 -1.304 -7.210 1.00 0.00 C ATOM 489 C GLY A 33 9.518 -0.780 -8.321 1.00 0.00 C ATOM 490 O GLY A 33 9.927 0.083 -9.098 1.00 0.00 O ATOM 0 H GLY A 33 8.757 -1.502 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.984 -0.480 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.119 -2.016 -7.625 1.00 0.00 H new ATOM 494 N SER A 34 8.299 -1.304 -8.399 1.00 0.00 N ATOM 495 CA SER A 34 7.352 -0.889 -9.427 1.00 0.00 C ATOM 496 C SER A 34 5.918 -0.986 -8.916 1.00 0.00 C ATOM 497 O SER A 34 5.677 -1.406 -7.784 1.00 0.00 O ATOM 498 CB SER A 34 7.518 -1.749 -10.681 1.00 0.00 C ATOM 499 OG SER A 34 6.993 -3.050 -10.481 1.00 0.00 O ATOM 0 H SER A 34 7.944 -2.017 -7.762 1.00 0.00 H new ATOM 0 HA SER A 34 7.560 0.151 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.011 -1.274 -11.521 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.574 -1.816 -10.943 1.00 0.00 H new ATOM 0 HG SER A 34 7.110 -3.579 -11.298 1.00 0.00 H new ATOM 505 N VAL A 35 4.968 -0.595 -9.759 1.00 0.00 N ATOM 506 CA VAL A 35 3.557 -0.639 -9.395 1.00 0.00 C ATOM 507 C VAL A 35 2.706 -1.152 -10.552 1.00 0.00 C ATOM 508 O VAL A 35 3.074 -1.008 -11.718 1.00 0.00 O ATOM 509 CB VAL A 35 3.043 0.749 -8.971 1.00 0.00 C ATOM 510 CG1 VAL A 35 3.056 1.708 -10.152 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.647 0.642 -8.376 1.00 0.00 C ATOM 0 H VAL A 35 5.150 -0.244 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 35 3.470 -1.324 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 35 3.710 1.145 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.689 2.684 -9.833 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.074 1.808 -10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.414 1.320 -10.943 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.300 1.633 -8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.966 0.224 -9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.673 -0.008 -7.501 1.00 0.00 H new ATOM 521 N SER A 36 1.566 -1.751 -10.221 1.00 0.00 N ATOM 522 CA SER A 36 0.664 -2.288 -11.233 1.00 0.00 C ATOM 523 C SER A 36 -0.432 -1.283 -11.572 1.00 0.00 C ATOM 524 O SER A 36 -0.683 -0.341 -10.819 1.00 0.00 O ATOM 525 CB SER A 36 0.038 -3.596 -10.745 1.00 0.00 C ATOM 526 OG SER A 36 -0.996 -4.022 -11.615 1.00 0.00 O ATOM 0 H SER A 36 1.246 -1.876 -9.261 1.00 0.00 H new ATOM 0 HA SER A 36 1.244 -2.484 -12.134 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.805 -4.368 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.361 -3.459 -9.740 1.00 0.00 H new ATOM 0 HG SER A 36 -1.379 -4.861 -11.282 1.00 0.00 H new ATOM 532 N CYS A 37 -1.083 -1.488 -12.713 1.00 0.00 N ATOM 533 CA CYS A 37 -2.152 -0.602 -13.155 1.00 0.00 C ATOM 534 C CYS A 37 -3.451 -0.905 -12.415 1.00 0.00 C ATOM 535 O CYS A 37 -4.046 -1.972 -12.566 1.00 0.00 O ATOM 536 CB CYS A 37 -2.367 -0.740 -14.663 1.00 0.00 C ATOM 537 SG CYS A 37 -3.696 0.315 -15.325 1.00 0.00 S ATOM 0 H CYS A 37 -0.888 -2.262 -13.348 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.857 0.423 -12.929 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.436 -0.497 -15.175 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.596 -1.781 -14.893 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.716 0.225 -16.622 1.00 0.00 H new ATOM 542 N PRO A 38 -3.903 0.056 -11.595 1.00 0.00 N ATOM 543 CA PRO A 38 -5.137 -0.085 -10.815 1.00 0.00 C ATOM 544 C PRO A 38 -6.383 -0.058 -11.693 1.00 0.00 C ATOM 545 O PRO A 38 -7.506 -0.169 -11.199 1.00 0.00 O ATOM 546 CB PRO A 38 -5.110 1.133 -9.887 1.00 0.00 C ATOM 547 CG PRO A 38 -4.277 2.138 -10.605 1.00 0.00 C ATOM 548 CD PRO A 38 -3.245 1.353 -11.366 1.00 0.00 C ATOM 0 HA PRO A 38 -5.181 -1.039 -10.289 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.115 1.512 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.680 0.882 -8.917 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.886 2.739 -11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.805 2.826 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.981 1.841 -12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.324 1.241 -10.795 1.00 0.00 H new ATOM 556 N THR A 39 -6.179 0.090 -12.998 1.00 0.00 N ATOM 557 CA THR A 39 -7.287 0.132 -13.945 1.00 0.00 C ATOM 558 C THR A 39 -7.534 -1.240 -14.563 1.00 0.00 C ATOM 559 O THR A 39 -8.663 -1.733 -14.574 1.00 0.00 O ATOM 560 CB THR A 39 -7.025 1.150 -15.071 1.00 0.00 C ATOM 561 OG1 THR A 39 -6.454 2.345 -14.528 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.313 1.486 -15.807 1.00 0.00 C ATOM 0 H THR A 39 -5.257 0.183 -13.424 1.00 0.00 H new ATOM 0 HA THR A 39 -8.170 0.440 -13.385 1.00 0.00 H new ATOM 0 HB THR A 39 -6.327 0.704 -15.779 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.479 2.257 -14.497 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.103 2.207 -16.597 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.729 0.579 -16.244 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.031 1.914 -15.107 1.00 0.00 H new ATOM 570 N CYS A 40 -6.473 -1.853 -15.076 1.00 0.00 N ATOM 571 CA CYS A 40 -6.574 -3.168 -15.695 1.00 0.00 C ATOM 572 C CYS A 40 -5.731 -4.192 -14.940 1.00 0.00 C ATOM 573 O CYS A 40 -6.018 -5.388 -14.968 1.00 0.00 O ATOM 574 CB CYS A 40 -6.127 -3.103 -17.157 1.00 0.00 C ATOM 575 SG CYS A 40 -4.325 -2.946 -17.377 1.00 0.00 S ATOM 0 H CYS A 40 -5.532 -1.459 -15.075 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.617 -3.481 -15.654 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.468 -4.002 -17.670 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.616 -2.256 -17.638 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.902 -1.887 -16.752 1.00 0.00 H new ATOM 580 N GLN A 41 -4.691 -3.712 -14.266 1.00 0.00 N ATOM 581 CA GLN A 41 -3.806 -4.585 -13.504 1.00 0.00 C ATOM 582 C GLN A 41 -3.154 -5.624 -14.410 1.00 0.00 C ATOM 583 O GLN A 41 -3.083 -6.804 -14.067 1.00 0.00 O ATOM 584 CB GLN A 41 -4.583 -5.282 -12.385 1.00 0.00 C ATOM 585 CG GLN A 41 -5.022 -4.343 -11.273 1.00 0.00 C ATOM 586 CD GLN A 41 -5.314 -5.071 -9.976 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.098 -6.020 -9.946 1.00 0.00 O ATOM 588 NE2 GLN A 41 -4.683 -4.629 -8.894 1.00 0.00 N ATOM 0 H GLN A 41 -4.441 -2.724 -14.232 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.021 -3.970 -13.064 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.463 -5.764 -12.811 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.962 -6.070 -11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.243 -3.600 -11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.913 -3.802 -11.590 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.042 -3.839 -8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.840 -5.079 -7.992 1.00 0.00 H new ATOM 597 N ALA A 42 -2.678 -5.177 -15.567 1.00 0.00 N ATOM 598 CA ALA A 42 -2.030 -6.068 -16.522 1.00 0.00 C ATOM 599 C ALA A 42 -0.551 -5.729 -16.673 1.00 0.00 C ATOM 600 O ALA A 42 0.283 -6.613 -16.868 1.00 0.00 O ATOM 601 CB ALA A 42 -2.731 -5.997 -17.870 1.00 0.00 C ATOM 0 H ALA A 42 -2.729 -4.203 -15.866 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.105 -7.086 -16.140 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.236 -6.667 -18.573 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.773 -6.296 -17.755 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.687 -4.976 -18.250 1.00 0.00 H new ATOM 607 N VAL A 43 -0.232 -4.441 -16.582 1.00 0.00 N ATOM 608 CA VAL A 43 1.147 -3.985 -16.709 1.00 0.00 C ATOM 609 C VAL A 43 1.466 -2.909 -15.676 1.00 0.00 C ATOM 610 O VAL A 43 0.597 -2.133 -15.284 1.00 0.00 O ATOM 611 CB VAL A 43 1.427 -3.428 -18.117 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.223 -4.508 -19.169 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.541 -2.224 -18.400 1.00 0.00 C ATOM 0 H VAL A 43 -0.910 -3.696 -16.421 1.00 0.00 H new ATOM 0 HA VAL A 43 1.785 -4.852 -16.537 1.00 0.00 H new ATOM 0 HB VAL A 43 2.467 -3.104 -18.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.425 -4.096 -20.158 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.903 -5.338 -18.975 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.194 -4.865 -19.129 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.753 -1.843 -19.399 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.506 -2.520 -18.339 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.741 -1.444 -17.665 1.00 0.00 H new ATOM 623 N GLY A 44 2.722 -2.870 -15.240 1.00 0.00 N ATOM 624 CA GLY A 44 3.135 -1.886 -14.257 1.00 0.00 C ATOM 625 C GLY A 44 4.185 -0.934 -14.795 1.00 0.00 C ATOM 626 O GLY A 44 4.548 -0.999 -15.970 1.00 0.00 O ATOM 0 H GLY A 44 3.460 -3.502 -15.550 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.265 -1.316 -13.931 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.529 -2.398 -13.379 1.00 0.00 H new ATOM 630 N ARG A 45 4.672 -0.045 -13.935 1.00 0.00 N ATOM 631 CA ARG A 45 5.684 0.926 -14.332 1.00 0.00 C ATOM 632 C ARG A 45 6.694 1.149 -13.210 1.00 0.00 C ATOM 633 O ARG A 45 6.375 0.988 -12.032 1.00 0.00 O ATOM 634 CB ARG A 45 5.026 2.254 -14.712 1.00 0.00 C ATOM 635 CG ARG A 45 5.974 3.233 -15.386 1.00 0.00 C ATOM 636 CD ARG A 45 6.037 3.001 -16.888 1.00 0.00 C ATOM 637 NE ARG A 45 6.979 3.905 -17.542 1.00 0.00 N ATOM 638 CZ ARG A 45 7.559 3.645 -18.708 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.295 2.512 -19.345 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.406 4.518 -19.239 1.00 0.00 N ATOM 0 H ARG A 45 4.382 0.023 -12.959 1.00 0.00 H new ATOM 0 HA ARG A 45 6.212 0.529 -15.199 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.187 2.056 -15.379 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.617 2.717 -13.814 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.647 4.254 -15.188 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.971 3.129 -14.958 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.329 1.969 -17.084 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.045 3.138 -17.318 1.00 0.00 H new ATOM 0 HE ARG A 45 7.204 4.785 -17.078 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.645 1.838 -18.939 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.742 2.314 -20.240 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.612 5.390 -18.751 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.851 4.317 -20.135 1.00 0.00 H new ATOM 654 N LYS A 46 7.914 1.520 -13.584 1.00 0.00 N ATOM 655 CA LYS A 46 8.971 1.765 -12.610 1.00 0.00 C ATOM 656 C LYS A 46 8.589 2.903 -11.668 1.00 0.00 C ATOM 657 O LYS A 46 9.237 3.117 -10.642 1.00 0.00 O ATOM 658 CB LYS A 46 10.283 2.099 -13.324 1.00 0.00 C ATOM 659 CG LYS A 46 10.920 0.906 -14.014 1.00 0.00 C ATOM 660 CD LYS A 46 12.012 1.337 -14.979 1.00 0.00 C ATOM 661 CE LYS A 46 12.957 0.190 -15.301 1.00 0.00 C ATOM 662 NZ LYS A 46 12.462 -0.635 -16.438 1.00 0.00 N ATOM 0 H LYS A 46 8.195 1.658 -14.555 1.00 0.00 H new ATOM 0 HA LYS A 46 9.106 0.858 -12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.097 2.879 -14.063 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.987 2.508 -12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.339 0.233 -13.266 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.156 0.346 -14.554 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.560 1.707 -15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.576 2.164 -14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.942 0.588 -15.543 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.076 -0.440 -14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.134 -1.406 -16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.533 -1.036 -16.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.372 -0.039 -17.286 1.00 0.00 H new ATOM 676 N THR A 47 7.533 3.629 -12.021 1.00 0.00 N ATOM 677 CA THR A 47 7.065 4.743 -11.207 1.00 0.00 C ATOM 678 C THR A 47 5.614 5.086 -11.525 1.00 0.00 C ATOM 679 O THR A 47 4.973 4.418 -12.338 1.00 0.00 O ATOM 680 CB THR A 47 7.935 5.997 -11.418 1.00 0.00 C ATOM 681 OG1 THR A 47 8.436 6.025 -12.759 1.00 0.00 O ATOM 682 CG2 THR A 47 9.097 6.022 -10.436 1.00 0.00 C ATOM 0 H THR A 47 6.986 3.465 -12.866 1.00 0.00 H new ATOM 0 HA THR A 47 7.141 4.427 -10.166 1.00 0.00 H new ATOM 0 HB THR A 47 7.315 6.876 -11.244 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.987 6.826 -12.886 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.697 6.916 -10.605 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.712 6.030 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.716 5.137 -10.583 1.00 0.00 H new ATOM 690 N ILE A 48 5.102 6.129 -10.881 1.00 0.00 N ATOM 691 CA ILE A 48 3.727 6.561 -11.098 1.00 0.00 C ATOM 692 C ILE A 48 3.618 7.450 -12.332 1.00 0.00 C ATOM 693 O ILE A 48 2.737 7.261 -13.170 1.00 0.00 O ATOM 694 CB ILE A 48 3.177 7.323 -9.879 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.453 6.540 -8.593 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.686 7.577 -10.041 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.001 7.257 -7.340 1.00 0.00 C ATOM 0 H ILE A 48 5.619 6.691 -10.204 1.00 0.00 H new ATOM 0 HA ILE A 48 3.134 5.659 -11.250 1.00 0.00 H new ATOM 0 HB ILE A 48 3.684 8.285 -9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.951 5.574 -8.650 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.522 6.340 -8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.312 8.117 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.514 8.171 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.162 6.625 -10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.228 6.644 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.522 8.211 -7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.927 7.434 -7.389 1.00 0.00 H new ATOM 709 N GLU A 49 4.521 8.421 -12.436 1.00 0.00 N ATOM 710 CA GLU A 49 4.526 9.339 -13.569 1.00 0.00 C ATOM 711 C GLU A 49 4.220 8.602 -14.869 1.00 0.00 C ATOM 712 O GLU A 49 3.492 9.105 -15.724 1.00 0.00 O ATOM 713 CB GLU A 49 5.880 10.044 -13.676 1.00 0.00 C ATOM 714 CG GLU A 49 7.059 9.089 -13.749 1.00 0.00 C ATOM 715 CD GLU A 49 8.393 9.797 -13.612 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.612 10.456 -12.574 1.00 0.00 O ATOM 717 OE2 GLU A 49 9.219 9.692 -14.543 1.00 0.00 O ATOM 0 H GLU A 49 5.257 8.592 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 49 3.748 10.084 -13.403 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.881 10.678 -14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.008 10.700 -12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.966 8.342 -12.961 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.031 8.555 -14.699 1.00 0.00 H new ATOM 724 N GLY A 50 4.782 7.405 -15.011 1.00 0.00 N ATOM 725 CA GLY A 50 4.559 6.618 -16.209 1.00 0.00 C ATOM 726 C GLY A 50 3.239 5.872 -16.175 1.00 0.00 C ATOM 727 O GLY A 50 2.605 5.670 -17.212 1.00 0.00 O ATOM 0 H GLY A 50 5.388 6.967 -14.317 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.580 7.273 -17.080 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.374 5.904 -16.328 1.00 0.00 H new ATOM 731 N LEU A 51 2.824 5.461 -14.982 1.00 0.00 N ATOM 732 CA LEU A 51 1.572 4.732 -14.817 1.00 0.00 C ATOM 733 C LEU A 51 0.375 5.634 -15.101 1.00 0.00 C ATOM 734 O LEU A 51 -0.535 5.262 -15.841 1.00 0.00 O ATOM 735 CB LEU A 51 1.472 4.165 -13.400 1.00 0.00 C ATOM 736 CG LEU A 51 0.084 3.702 -12.958 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.239 2.339 -13.550 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.007 3.661 -11.439 1.00 0.00 C ATOM 0 H LEU A 51 3.336 5.620 -14.115 1.00 0.00 H new ATOM 0 HA LEU A 51 1.562 3.910 -15.533 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.157 3.321 -13.319 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.819 4.926 -12.701 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.650 4.418 -13.327 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.231 2.026 -13.224 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.217 2.401 -14.638 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.500 1.612 -13.213 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.002 3.329 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.738 2.968 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.178 4.657 -11.036 1.00 0.00 H new ATOM 750 N LYS A 52 0.383 6.824 -14.508 1.00 0.00 N ATOM 751 CA LYS A 52 -0.699 7.782 -14.699 1.00 0.00 C ATOM 752 C LYS A 52 -1.057 7.911 -16.176 1.00 0.00 C ATOM 753 O LYS A 52 -2.231 7.876 -16.547 1.00 0.00 O ATOM 754 CB LYS A 52 -0.302 9.149 -14.139 1.00 0.00 C ATOM 755 CG LYS A 52 -0.265 9.197 -12.621 1.00 0.00 C ATOM 756 CD LYS A 52 0.840 10.110 -12.119 1.00 0.00 C ATOM 757 CE LYS A 52 0.344 11.536 -11.934 1.00 0.00 C ATOM 758 NZ LYS A 52 0.092 12.209 -13.238 1.00 0.00 N ATOM 0 H LYS A 52 1.128 7.147 -13.891 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.574 7.416 -14.162 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.680 9.420 -14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.006 9.899 -14.501 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.226 9.546 -12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.114 8.192 -12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.224 9.731 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.670 10.101 -12.826 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.574 11.528 -11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.080 12.106 -11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.038 13.237 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.867 11.992 -13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.806 11.868 -13.637 1.00 0.00 H new ATOM 772 N LYS A 53 -0.038 8.058 -17.017 1.00 0.00 N ATOM 773 CA LYS A 53 -0.245 8.189 -18.454 1.00 0.00 C ATOM 774 C LYS A 53 -0.900 6.936 -19.026 1.00 0.00 C ATOM 775 O LYS A 53 -1.712 7.015 -19.950 1.00 0.00 O ATOM 776 CB LYS A 53 1.089 8.447 -19.160 1.00 0.00 C ATOM 777 CG LYS A 53 1.446 9.920 -19.266 1.00 0.00 C ATOM 778 CD LYS A 53 2.259 10.384 -18.069 1.00 0.00 C ATOM 779 CE LYS A 53 2.298 11.902 -17.976 1.00 0.00 C ATOM 780 NZ LYS A 53 3.386 12.374 -17.075 1.00 0.00 N ATOM 0 H LYS A 53 0.940 8.089 -16.727 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.910 9.036 -18.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.882 7.927 -18.622 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.049 8.018 -20.161 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.013 10.093 -20.181 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.534 10.512 -19.339 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.830 9.973 -17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.275 9.997 -18.146 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.442 12.323 -18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.339 12.268 -17.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.380 13.413 -17.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.235 11.993 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.304 12.046 -17.438 1.00 0.00 H new ATOM 794 N HIS A 54 -0.545 5.782 -18.472 1.00 0.00 N ATOM 795 CA HIS A 54 -1.101 4.512 -18.926 1.00 0.00 C ATOM 796 C HIS A 54 -2.560 4.375 -18.503 1.00 0.00 C ATOM 797 O HIS A 54 -3.437 4.133 -19.331 1.00 0.00 O ATOM 798 CB HIS A 54 -0.284 3.345 -18.370 1.00 0.00 C ATOM 799 CG HIS A 54 -0.945 2.013 -18.549 1.00 0.00 C ATOM 800 ND1 HIS A 54 -1.201 1.460 -19.786 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.401 1.121 -17.638 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.787 0.287 -19.629 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.920 0.057 -18.335 1.00 0.00 N ATOM 0 H HIS A 54 0.125 5.699 -17.708 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.054 4.492 -20.015 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.689 3.327 -18.860 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.103 3.512 -17.308 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.364 1.226 -16.564 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.104 -0.372 -20.424 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.340 -0.775 -17.921 1.00 0.00 H new ATOM 811 N MET A 55 -2.812 4.532 -17.207 1.00 0.00 N ATOM 812 CA MET A 55 -4.165 4.426 -16.674 1.00 0.00 C ATOM 813 C MET A 55 -5.061 5.523 -17.242 1.00 0.00 C ATOM 814 O MET A 55 -6.278 5.364 -17.319 1.00 0.00 O ATOM 815 CB MET A 55 -4.143 4.510 -15.147 1.00 0.00 C ATOM 816 CG MET A 55 -3.459 5.760 -14.617 1.00 0.00 C ATOM 817 SD MET A 55 -4.047 6.232 -12.979 1.00 0.00 S ATOM 818 CE MET A 55 -3.651 4.759 -12.040 1.00 0.00 C ATOM 0 H MET A 55 -2.097 4.733 -16.507 1.00 0.00 H new ATOM 0 HA MET A 55 -4.571 3.459 -16.972 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.167 4.481 -14.775 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.634 3.631 -14.750 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.383 5.592 -14.578 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.628 6.584 -15.311 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.299 4.700 -11.165 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.803 3.878 -12.664 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.610 4.801 -11.719 1.00 0.00 H new ATOM 828 N GLU A 56 -4.449 6.635 -17.637 1.00 0.00 N ATOM 829 CA GLU A 56 -5.192 7.758 -18.197 1.00 0.00 C ATOM 830 C GLU A 56 -5.963 7.332 -19.443 1.00 0.00 C ATOM 831 O GLU A 56 -7.012 7.893 -19.758 1.00 0.00 O ATOM 832 CB GLU A 56 -4.242 8.907 -18.539 1.00 0.00 C ATOM 833 CG GLU A 56 -4.039 9.889 -17.398 1.00 0.00 C ATOM 834 CD GLU A 56 -5.081 10.991 -17.384 1.00 0.00 C ATOM 835 OE1 GLU A 56 -6.217 10.738 -17.837 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.761 12.106 -16.921 1.00 0.00 O ATOM 0 H GLU A 56 -3.441 6.782 -17.580 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.906 8.098 -17.447 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.276 8.494 -18.828 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.631 9.444 -19.404 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.072 9.351 -16.451 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.047 10.333 -17.478 1.00 0.00 H new ATOM 958 N THR A 64 -19.100 3.459 -7.516 1.00 0.00 N ATOM 959 CA THR A 64 -19.634 3.878 -6.226 1.00 0.00 C ATOM 960 C THR A 64 -21.158 3.848 -6.226 1.00 0.00 C ATOM 961 O THR A 64 -21.805 4.638 -6.915 1.00 0.00 O ATOM 962 CB THR A 64 -19.160 5.295 -5.854 1.00 0.00 C ATOM 963 OG1 THR A 64 -17.739 5.392 -6.005 1.00 0.00 O ATOM 964 CG2 THR A 64 -19.547 5.638 -4.424 1.00 0.00 C ATOM 0 HA THR A 64 -19.259 3.172 -5.485 1.00 0.00 H new ATOM 0 HB THR A 64 -19.646 6.004 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.439 4.758 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.201 6.644 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.631 5.592 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.086 4.924 -3.741 1.00 0.00 H new ATOM 972 N CYS A 65 -21.728 2.932 -5.449 1.00 0.00 N ATOM 973 CA CYS A 65 -23.176 2.800 -5.359 1.00 0.00 C ATOM 974 C CYS A 65 -23.812 4.098 -4.870 1.00 0.00 C ATOM 975 O CYS A 65 -23.136 4.961 -4.311 1.00 0.00 O ATOM 976 CB CYS A 65 -23.547 1.652 -4.417 1.00 0.00 C ATOM 977 SG CYS A 65 -25.265 1.708 -3.815 1.00 0.00 S ATOM 0 H CYS A 65 -21.208 2.270 -4.873 1.00 0.00 H new ATOM 0 HA CYS A 65 -23.558 2.582 -6.356 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -23.385 0.706 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -22.873 1.667 -3.561 1.00 0.00 H new ATOM 0 HG CYS A 65 -25.889 0.628 -4.182 1.00 0.00 H new ATOM 982 N HIS A 66 -25.118 4.228 -5.084 1.00 0.00 N ATOM 983 CA HIS A 66 -25.846 5.420 -4.665 1.00 0.00 C ATOM 984 C HIS A 66 -26.726 5.122 -3.455 1.00 0.00 C ATOM 985 O HIS A 66 -26.851 5.945 -2.548 1.00 0.00 O ATOM 986 CB HIS A 66 -26.703 5.951 -5.815 1.00 0.00 C ATOM 987 CG HIS A 66 -25.908 6.608 -6.901 1.00 0.00 C ATOM 988 ND1 HIS A 66 -25.843 6.118 -8.188 1.00 0.00 N ATOM 989 CD2 HIS A 66 -25.142 7.724 -6.886 1.00 0.00 C ATOM 990 CE1 HIS A 66 -25.071 6.903 -8.918 1.00 0.00 C ATOM 991 NE2 HIS A 66 -24.633 7.886 -8.151 1.00 0.00 N ATOM 0 H HIS A 66 -25.693 3.523 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 66 -25.117 6.180 -4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -27.274 5.127 -6.242 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -27.424 6.667 -5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -24.964 8.367 -6.037 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -24.838 6.765 -9.963 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -24.017 8.642 -8.450 1.00 0.00 H new ATOM 999 N HIS A 67 -27.334 3.940 -3.449 1.00 0.00 N ATOM 1000 CA HIS A 67 -28.203 3.533 -2.350 1.00 0.00 C ATOM 1001 C HIS A 67 -27.490 3.685 -1.009 1.00 0.00 C ATOM 1002 O HIS A 67 -27.920 4.455 -0.150 1.00 0.00 O ATOM 1003 CB HIS A 67 -28.656 2.085 -2.539 1.00 0.00 C ATOM 1004 CG HIS A 67 -29.740 1.925 -3.561 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -30.997 2.473 -3.416 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -29.748 1.276 -4.748 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -31.732 2.165 -4.470 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -30.997 1.440 -5.293 1.00 0.00 N ATOM 0 H HIS A 67 -27.241 3.248 -4.192 1.00 0.00 H new ATOM 0 HA HIS A 67 -29.078 4.182 -2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -27.798 1.480 -2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -29.008 1.695 -1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -28.925 0.730 -5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -32.759 2.457 -4.631 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -31.307 1.063 -6.189 1.00 0.00 H new ATOM 1016 N CYS A 68 -26.400 2.945 -0.837 1.00 0.00 N ATOM 1017 CA CYS A 68 -25.628 2.995 0.399 1.00 0.00 C ATOM 1018 C CYS A 68 -24.392 3.873 0.232 1.00 0.00 C ATOM 1019 O CYS A 68 -24.062 4.672 1.108 1.00 0.00 O ATOM 1020 CB CYS A 68 -25.213 1.585 0.822 1.00 0.00 C ATOM 1021 SG CYS A 68 -24.151 0.728 -0.385 1.00 0.00 S ATOM 0 H CYS A 68 -26.031 2.303 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 68 -26.258 3.429 1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -24.687 1.643 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -26.110 0.989 0.988 1.00 0.00 H new ATOM 0 HG CYS A 68 -24.517 1.049 -1.590 1.00 0.00 H new ATOM 1026 N GLY A 69 -23.711 3.719 -0.900 1.00 0.00 N ATOM 1027 CA GLY A 69 -22.519 4.505 -1.161 1.00 0.00 C ATOM 1028 C GLY A 69 -21.244 3.724 -0.909 1.00 0.00 C ATOM 1029 O GLY A 69 -20.302 4.237 -0.305 1.00 0.00 O ATOM 0 H GLY A 69 -23.963 3.064 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -22.533 4.848 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -22.528 5.394 -0.530 1.00 0.00 H new ATOM 1033 N LYS A 70 -21.213 2.479 -1.372 1.00 0.00 N ATOM 1034 CA LYS A 70 -20.045 1.625 -1.194 1.00 0.00 C ATOM 1035 C LYS A 70 -19.038 1.839 -2.320 1.00 0.00 C ATOM 1036 O LYS A 70 -19.373 2.394 -3.366 1.00 0.00 O ATOM 1037 CB LYS A 70 -20.465 0.155 -1.144 1.00 0.00 C ATOM 1038 CG LYS A 70 -19.599 -0.695 -0.230 1.00 0.00 C ATOM 1039 CD LYS A 70 -19.633 -2.159 -0.632 1.00 0.00 C ATOM 1040 CE LYS A 70 -18.897 -3.031 0.374 1.00 0.00 C ATOM 1041 NZ LYS A 70 -19.721 -3.295 1.586 1.00 0.00 N ATOM 0 H LYS A 70 -21.984 2.039 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 70 -19.571 1.893 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -21.501 0.093 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.430 -0.259 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.572 -0.332 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.943 -0.591 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.668 -2.491 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.181 -2.277 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.627 -3.977 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.967 -2.543 0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.185 -3.892 2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.958 -2.394 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.597 -3.784 1.311 1.00 0.00 H new ATOM 1055 N GLN A 71 -17.806 1.393 -2.099 1.00 0.00 N ATOM 1056 CA GLN A 71 -16.752 1.535 -3.096 1.00 0.00 C ATOM 1057 C GLN A 71 -15.976 0.232 -3.257 1.00 0.00 C ATOM 1058 O GLN A 71 -15.173 -0.135 -2.398 1.00 0.00 O ATOM 1059 CB GLN A 71 -15.798 2.665 -2.704 1.00 0.00 C ATOM 1060 CG GLN A 71 -16.322 4.050 -3.048 1.00 0.00 C ATOM 1061 CD GLN A 71 -15.220 5.087 -3.128 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -14.528 5.352 -2.144 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -15.049 5.681 -4.303 1.00 0.00 N ATOM 0 H GLN A 71 -17.513 0.930 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.220 1.779 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -15.608 2.613 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.842 2.512 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.847 4.009 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.050 4.356 -2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.645 5.431 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.322 6.387 -4.416 1.00 0.00 H new ATOM 1072 N LEU A 72 -16.220 -0.463 -4.362 1.00 0.00 N ATOM 1073 CA LEU A 72 -15.544 -1.727 -4.637 1.00 0.00 C ATOM 1074 C LEU A 72 -14.798 -1.668 -5.966 1.00 0.00 C ATOM 1075 O LEU A 72 -15.369 -1.303 -6.994 1.00 0.00 O ATOM 1076 CB LEU A 72 -16.555 -2.875 -4.656 1.00 0.00 C ATOM 1077 CG LEU A 72 -17.089 -3.322 -3.295 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -18.183 -4.364 -3.467 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -15.960 -3.869 -2.433 1.00 0.00 C ATOM 0 H LEU A 72 -16.881 -0.173 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.819 -1.903 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.401 -2.577 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.091 -3.733 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.517 -2.455 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.551 -4.670 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.003 -3.939 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.781 -5.231 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.358 -4.182 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.503 -4.724 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.210 -3.093 -2.281 1.00 0.00 H new ATOM 1091 N ARG A 73 -13.520 -2.031 -5.938 1.00 0.00 N ATOM 1092 CA ARG A 73 -12.696 -2.020 -7.141 1.00 0.00 C ATOM 1093 C ARG A 73 -13.329 -2.868 -8.241 1.00 0.00 C ATOM 1094 O ARG A 73 -13.350 -2.474 -9.407 1.00 0.00 O ATOM 1095 CB ARG A 73 -11.292 -2.539 -6.827 1.00 0.00 C ATOM 1096 CG ARG A 73 -10.425 -1.539 -6.081 1.00 0.00 C ATOM 1097 CD ARG A 73 -9.141 -2.180 -5.578 1.00 0.00 C ATOM 1098 NE ARG A 73 -8.152 -2.332 -6.641 1.00 0.00 N ATOM 1099 CZ ARG A 73 -8.127 -3.363 -7.479 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -9.032 -4.326 -7.377 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -7.195 -3.431 -8.421 1.00 0.00 N ATOM 0 H ARG A 73 -13.033 -2.336 -5.096 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.626 -0.991 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.375 -3.449 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.798 -2.811 -7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.183 -0.704 -6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.983 -1.130 -5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.722 -1.571 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.367 -3.157 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.442 -1.608 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.750 -4.277 -6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.011 -5.116 -8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.497 -2.692 -8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.176 -4.223 -9.064 1.00 0.00 H new ATOM 1115 N SER A 74 -13.845 -4.032 -7.861 1.00 0.00 N ATOM 1116 CA SER A 74 -14.475 -4.937 -8.815 1.00 0.00 C ATOM 1117 C SER A 74 -15.962 -4.628 -8.957 1.00 0.00 C ATOM 1118 O SER A 74 -16.664 -4.426 -7.965 1.00 0.00 O ATOM 1119 CB SER A 74 -14.284 -6.390 -8.375 1.00 0.00 C ATOM 1120 OG SER A 74 -12.912 -6.745 -8.367 1.00 0.00 O ATOM 0 H SER A 74 -13.839 -4.371 -6.899 1.00 0.00 H new ATOM 0 HA SER A 74 -13.998 -4.793 -9.784 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.705 -6.530 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.830 -7.052 -9.048 1.00 0.00 H new ATOM 0 HG SER A 74 -12.817 -7.677 -8.081 1.00 0.00 H new ATOM 1126 N LEU A 75 -16.436 -4.591 -10.198 1.00 0.00 N ATOM 1127 CA LEU A 75 -17.840 -4.306 -10.472 1.00 0.00 C ATOM 1128 C LEU A 75 -18.726 -5.471 -10.044 1.00 0.00 C ATOM 1129 O LEU A 75 -19.645 -5.303 -9.242 1.00 0.00 O ATOM 1130 CB LEU A 75 -18.041 -4.018 -11.961 1.00 0.00 C ATOM 1131 CG LEU A 75 -19.453 -3.608 -12.381 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -19.824 -2.267 -11.769 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -19.564 -3.554 -13.897 1.00 0.00 C ATOM 0 H LEU A 75 -15.869 -4.755 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.126 -3.426 -9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.352 -3.226 -12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.760 -4.908 -12.524 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.153 -4.358 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.832 -1.992 -12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -19.786 -2.340 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.120 -1.506 -12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.576 -3.261 -14.178 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -18.853 -2.826 -14.288 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.343 -4.537 -14.313 1.00 0.00 H new ATOM 1145 N ALA A 76 -18.442 -6.653 -10.581 1.00 0.00 N ATOM 1146 CA ALA A 76 -19.210 -7.847 -10.251 1.00 0.00 C ATOM 1147 C ALA A 76 -19.568 -7.877 -8.769 1.00 0.00 C ATOM 1148 O ALA A 76 -20.742 -7.829 -8.404 1.00 0.00 O ATOM 1149 CB ALA A 76 -18.432 -9.097 -10.634 1.00 0.00 C ATOM 0 H ALA A 76 -17.685 -6.809 -11.247 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.138 -7.821 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.017 -9.981 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.232 -9.087 -11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.488 -9.119 -10.089 1.00 0.00 H new ATOM 1155 N GLY A 77 -18.549 -7.957 -7.920 1.00 0.00 N ATOM 1156 CA GLY A 77 -18.778 -7.993 -6.487 1.00 0.00 C ATOM 1157 C GLY A 77 -19.774 -6.944 -6.033 1.00 0.00 C ATOM 1158 O GLY A 77 -20.655 -7.226 -5.222 1.00 0.00 O ATOM 0 H GLY A 77 -17.569 -7.998 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.142 -8.981 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.832 -7.841 -5.967 1.00 0.00 H new ATOM 1162 N MET A 78 -19.633 -5.731 -6.555 1.00 0.00 N ATOM 1163 CA MET A 78 -20.528 -4.636 -6.198 1.00 0.00 C ATOM 1164 C MET A 78 -21.953 -4.926 -6.658 1.00 0.00 C ATOM 1165 O MET A 78 -22.883 -4.954 -5.853 1.00 0.00 O ATOM 1166 CB MET A 78 -20.037 -3.325 -6.815 1.00 0.00 C ATOM 1167 CG MET A 78 -21.138 -2.295 -7.008 1.00 0.00 C ATOM 1168 SD MET A 78 -20.547 -0.788 -7.804 1.00 0.00 S ATOM 1169 CE MET A 78 -19.569 -0.071 -6.486 1.00 0.00 C ATOM 0 H MET A 78 -18.908 -5.481 -7.227 1.00 0.00 H new ATOM 0 HA MET A 78 -20.528 -4.540 -5.112 1.00 0.00 H new ATOM 0 HB2 MET A 78 -19.261 -2.901 -6.177 1.00 0.00 H new ATOM 0 HB3 MET A 78 -19.576 -3.537 -7.780 1.00 0.00 H new ATOM 0 HG2 MET A 78 -21.936 -2.730 -7.610 1.00 0.00 H new ATOM 0 HG3 MET A 78 -21.570 -2.044 -6.039 1.00 0.00 H new ATOM 0 HE1 MET A 78 -19.681 1.013 -6.498 1.00 0.00 H new ATOM 0 HE2 MET A 78 -19.910 -0.460 -5.527 1.00 0.00 H new ATOM 0 HE3 MET A 78 -18.520 -0.329 -6.630 1.00 0.00 H new ATOM 1179 N LYS A 79 -22.116 -5.142 -7.959 1.00 0.00 N ATOM 1180 CA LYS A 79 -23.428 -5.432 -8.528 1.00 0.00 C ATOM 1181 C LYS A 79 -24.163 -6.477 -7.696 1.00 0.00 C ATOM 1182 O LYS A 79 -25.386 -6.596 -7.770 1.00 0.00 O ATOM 1183 CB LYS A 79 -23.284 -5.921 -9.971 1.00 0.00 C ATOM 1184 CG LYS A 79 -22.507 -4.968 -10.862 1.00 0.00 C ATOM 1185 CD LYS A 79 -22.716 -5.285 -12.333 1.00 0.00 C ATOM 1186 CE LYS A 79 -23.901 -4.521 -12.906 1.00 0.00 C ATOM 1187 NZ LYS A 79 -23.910 -4.547 -14.395 1.00 0.00 N ATOM 0 H LYS A 79 -21.356 -5.122 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 79 -24.012 -4.511 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.786 -6.891 -9.969 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -24.277 -6.073 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -22.821 -3.944 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -21.445 -5.029 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.815 -5.033 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -22.878 -6.356 -12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -24.828 -4.953 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -23.868 -3.488 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -24.732 -4.016 -14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -23.037 -4.112 -14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.967 -5.532 -14.725 1.00 0.00 H new ATOM 1201 N TYR A 80 -23.410 -7.232 -6.903 1.00 0.00 N ATOM 1202 CA TYR A 80 -23.991 -8.268 -6.058 1.00 0.00 C ATOM 1203 C TYR A 80 -24.385 -7.704 -4.696 1.00 0.00 C ATOM 1204 O TYR A 80 -25.345 -8.161 -4.075 1.00 0.00 O ATOM 1205 CB TYR A 80 -23.003 -9.422 -5.877 1.00 0.00 C ATOM 1206 CG TYR A 80 -23.638 -10.685 -5.342 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -23.998 -10.793 -4.004 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -23.879 -11.771 -6.175 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -24.578 -11.945 -3.511 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -24.460 -12.928 -5.690 1.00 0.00 C ATOM 1211 CZ TYR A 80 -24.807 -13.010 -4.358 1.00 0.00 C ATOM 1212 OH TYR A 80 -25.385 -14.159 -3.870 1.00 0.00 O ATOM 0 H TYR A 80 -22.396 -7.146 -6.828 1.00 0.00 H new ATOM 0 HA TYR A 80 -24.889 -8.640 -6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -22.533 -9.640 -6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -22.211 -9.108 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.821 -9.961 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -23.608 -11.710 -7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.851 -12.012 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -24.641 -13.763 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 80 -25.478 -14.812 -4.595 1.00 0.00 H new ATOM 1222 N HIS A 81 -23.636 -6.705 -4.238 1.00 0.00 N ATOM 1223 CA HIS A 81 -23.906 -6.075 -2.951 1.00 0.00 C ATOM 1224 C HIS A 81 -25.266 -5.383 -2.959 1.00 0.00 C ATOM 1225 O HIS A 81 -25.879 -5.183 -1.911 1.00 0.00 O ATOM 1226 CB HIS A 81 -22.809 -5.066 -2.613 1.00 0.00 C ATOM 1227 CG HIS A 81 -23.122 -3.670 -3.058 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -22.255 -2.909 -3.814 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -24.214 -2.898 -2.851 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -22.800 -1.730 -4.051 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -23.990 -1.697 -3.478 1.00 0.00 N ATOM 0 H HIS A 81 -22.838 -6.315 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 81 -23.919 -6.854 -2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -22.645 -5.067 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -21.876 -5.386 -3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -25.098 -3.175 -2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -22.349 -0.928 -4.617 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -24.637 -0.908 -3.498 1.00 0.00 H new ATOM 1239 N VAL A 82 -25.732 -5.019 -4.150 1.00 0.00 N ATOM 1240 CA VAL A 82 -27.019 -4.349 -4.295 1.00 0.00 C ATOM 1241 C VAL A 82 -28.172 -5.332 -4.125 1.00 0.00 C ATOM 1242 O VAL A 82 -29.057 -5.128 -3.296 1.00 0.00 O ATOM 1243 CB VAL A 82 -27.142 -3.662 -5.668 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -28.533 -3.073 -5.848 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -26.075 -2.589 -5.825 1.00 0.00 C ATOM 0 H VAL A 82 -25.237 -5.177 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 82 -27.072 -3.592 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 82 -26.988 -4.411 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.601 -2.592 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.276 -3.868 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -28.720 -2.337 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.177 -2.114 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -26.195 -1.840 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -25.087 -3.043 -5.744 1.00 0.00 H new ATOM 1255 N MET A 83 -28.154 -6.399 -4.917 1.00 0.00 N ATOM 1256 CA MET A 83 -29.198 -7.415 -4.853 1.00 0.00 C ATOM 1257 C MET A 83 -29.170 -8.139 -3.510 1.00 0.00 C ATOM 1258 O MET A 83 -30.076 -8.908 -3.190 1.00 0.00 O ATOM 1259 CB MET A 83 -29.030 -8.423 -5.992 1.00 0.00 C ATOM 1260 CG MET A 83 -29.408 -7.867 -7.355 1.00 0.00 C ATOM 1261 SD MET A 83 -29.101 -9.037 -8.692 1.00 0.00 S ATOM 1262 CE MET A 83 -27.311 -9.064 -8.714 1.00 0.00 C ATOM 0 H MET A 83 -27.428 -6.582 -5.610 1.00 0.00 H new ATOM 0 HA MET A 83 -30.162 -6.917 -4.958 1.00 0.00 H new ATOM 0 HB2 MET A 83 -27.993 -8.758 -6.020 1.00 0.00 H new ATOM 0 HB3 MET A 83 -29.643 -9.300 -5.784 1.00 0.00 H new ATOM 0 HG2 MET A 83 -30.463 -7.594 -7.352 1.00 0.00 H new ATOM 0 HG3 MET A 83 -28.843 -6.954 -7.540 1.00 0.00 H new ATOM 0 HE1 MET A 83 -26.954 -8.721 -9.685 1.00 0.00 H new ATOM 0 HE2 MET A 83 -26.928 -8.407 -7.933 1.00 0.00 H new ATOM 0 HE3 MET A 83 -26.960 -10.081 -8.537 1.00 0.00 H new ATOM 1272 N ALA A 84 -28.124 -7.889 -2.729 1.00 0.00 N ATOM 1273 CA ALA A 84 -27.980 -8.515 -1.421 1.00 0.00 C ATOM 1274 C ALA A 84 -28.628 -7.668 -0.332 1.00 0.00 C ATOM 1275 O ALA A 84 -29.542 -8.119 0.357 1.00 0.00 O ATOM 1276 CB ALA A 84 -26.509 -8.748 -1.107 1.00 0.00 C ATOM 0 H ALA A 84 -27.364 -7.257 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 84 -28.492 -9.477 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -26.416 -9.216 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -26.074 -9.401 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -25.982 -7.794 -1.105 1.00 0.00 H new ATOM 1282 N ASN A 85 -28.148 -6.437 -0.182 1.00 0.00 N ATOM 1283 CA ASN A 85 -28.680 -5.527 0.825 1.00 0.00 C ATOM 1284 C ASN A 85 -29.945 -4.838 0.322 1.00 0.00 C ATOM 1285 O ASN A 85 -30.980 -4.852 0.989 1.00 0.00 O ATOM 1286 CB ASN A 85 -27.631 -4.479 1.201 1.00 0.00 C ATOM 1287 CG ASN A 85 -26.460 -5.078 1.955 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -26.562 -5.379 3.145 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -25.339 -5.253 1.265 1.00 0.00 N ATOM 0 H ASN A 85 -27.392 -6.048 -0.745 1.00 0.00 H new ATOM 0 HA ASN A 85 -28.933 -6.112 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -27.267 -3.993 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -28.096 -3.706 1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -24.517 -5.651 1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -25.300 -4.989 0.280 1.00 0.00 H new ATOM 1296 N HIS A 86 -29.855 -4.237 -0.860 1.00 0.00 N ATOM 1297 CA HIS A 86 -30.992 -3.544 -1.455 1.00 0.00 C ATOM 1298 C HIS A 86 -31.866 -4.513 -2.246 1.00 0.00 C ATOM 1299 O HIS A 86 -32.361 -4.180 -3.322 1.00 0.00 O ATOM 1300 CB HIS A 86 -30.509 -2.415 -2.365 1.00 0.00 C ATOM 1301 CG HIS A 86 -29.300 -1.701 -1.845 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -29.226 -1.174 -0.573 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -28.110 -1.431 -2.432 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -28.044 -0.609 -0.401 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -27.348 -0.751 -1.514 1.00 0.00 N ATOM 0 H HIS A 86 -29.006 -4.216 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 86 -31.590 -3.119 -0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -30.283 -2.825 -3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -31.317 -1.695 -2.497 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -27.815 -1.700 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -27.705 -0.115 0.497 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -26.399 -0.411 -1.667 1.00 0.00 H new