USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 SER OG : rot 34:sc= 0.264 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 77:sc= 0.813 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 39 SER OG : rot 69:sc= 1.24 USER MOD Single : A 41 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.6!) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0.388 (180deg=0.329) USER MOD Single : A 45 HIS : no HE2:sc= -0.0248 X(o=-0.025,f=-0.39) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 52 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-3.1!) USER MOD Single : A 57 MET CE :methyl -127:sc= -0.0819 (180deg=-0.287) USER MOD Single : A 58 MET CE :methyl -178:sc= -0.369 (180deg=-0.382) USER MOD Single : A 61 GLN : amide:sc= -0.612 K(o=-0.61,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.685 K(o=0.69,f=-5.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= 1.31 (180deg=-0.29!) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -17.087 8.124 -6.482 1.00 1.00 N ATOM 216 CA GLU A 13 -15.734 7.642 -6.691 1.00 1.00 C ATOM 217 C GLU A 13 -15.238 7.113 -5.368 1.00 1.00 C ATOM 218 O GLU A 13 -15.142 5.907 -5.139 1.00 1.00 O ATOM 219 CB GLU A 13 -14.813 8.754 -7.197 1.00 1.00 C ATOM 220 CG GLU A 13 -14.990 8.985 -8.677 1.00 1.00 C ATOM 221 CD GLU A 13 -14.855 7.678 -9.427 1.00 1.00 C ATOM 222 OE1 GLU A 13 -13.753 7.085 -9.393 1.00 1.00 O ATOM 223 OE2 GLU A 13 -15.861 7.202 -9.984 1.00 1.00 O ATOM 0 HA GLU A 13 -15.732 6.861 -7.452 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -15.023 9.677 -6.656 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -13.776 8.492 -6.990 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -15.969 9.425 -8.870 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -14.245 9.696 -9.034 1.00 1.00 H new ATOM 230 N PHE A 14 -14.906 8.039 -4.521 1.00 1.00 N ATOM 231 CA PHE A 14 -14.499 7.752 -3.167 1.00 1.00 C ATOM 232 C PHE A 14 -14.836 8.960 -2.361 1.00 1.00 C ATOM 233 O PHE A 14 -14.420 10.071 -2.692 1.00 1.00 O ATOM 234 CB PHE A 14 -13.011 7.487 -2.998 1.00 1.00 C ATOM 235 CG PHE A 14 -12.357 6.815 -4.157 1.00 1.00 C ATOM 236 CD1 PHE A 14 -11.830 7.556 -5.205 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.234 5.440 -4.184 1.00 1.00 C ATOM 238 CE1 PHE A 14 -11.204 6.931 -6.261 1.00 1.00 C ATOM 239 CE2 PHE A 14 -11.614 4.807 -5.236 1.00 1.00 C ATOM 240 CZ PHE A 14 -11.087 5.554 -6.275 1.00 1.00 C ATOM 0 H PHE A 14 -14.908 9.033 -4.749 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.011 6.842 -2.855 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -12.506 8.436 -2.815 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -12.865 6.872 -2.110 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -11.911 8.633 -5.193 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.630 4.854 -3.368 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -10.805 7.516 -7.077 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.539 3.730 -5.251 1.00 1.00 H new ATOM 0 HZ PHE A 14 -10.585 5.062 -7.095 1.00 1.00 H new ATOM 358 N SER A 23 -17.026 5.734 3.471 1.00 1.00 N ATOM 359 CA SER A 23 -17.250 4.438 2.841 1.00 1.00 C ATOM 360 C SER A 23 -16.001 3.555 2.938 1.00 1.00 C ATOM 361 O SER A 23 -14.887 4.048 3.115 1.00 1.00 O ATOM 362 CB SER A 23 -17.623 4.635 1.374 1.00 1.00 C ATOM 363 OG SER A 23 -18.643 5.606 1.241 1.00 1.00 O ATOM 0 HA SER A 23 -18.066 3.941 3.366 1.00 1.00 H new ATOM 0 HB2 SER A 23 -16.744 4.945 0.809 1.00 1.00 H new ATOM 0 HB3 SER A 23 -17.958 3.689 0.949 1.00 1.00 H new ATOM 0 HG SER A 23 -18.531 6.295 1.929 1.00 1.00 H new ATOM 369 N THR A 24 -16.192 2.251 2.822 1.00 1.00 N ATOM 370 CA THR A 24 -15.077 1.299 2.869 1.00 1.00 C ATOM 371 C THR A 24 -14.130 1.562 1.693 1.00 1.00 C ATOM 372 O THR A 24 -12.904 1.560 1.835 1.00 1.00 O ATOM 373 CB THR A 24 -15.611 -0.145 2.807 1.00 1.00 C ATOM 374 OG1 THR A 24 -16.679 -0.303 3.753 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.522 -1.164 3.097 1.00 1.00 C ATOM 0 H THR A 24 -17.108 1.820 2.694 1.00 1.00 H new ATOM 0 HA THR A 24 -14.532 1.429 3.804 1.00 1.00 H new ATOM 0 HB THR A 24 -15.974 -0.323 1.795 1.00 1.00 H new ATOM 0 HG1 THR A 24 -17.019 -1.221 3.712 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.940 -2.169 3.043 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.724 -1.063 2.361 1.00 1.00 H new ATOM 0 HG23 THR A 24 -14.119 -0.992 4.095 1.00 1.00 H new ATOM 383 N GLU A 25 -14.746 1.816 0.540 1.00 1.00 N ATOM 384 CA GLU A 25 -14.058 2.150 -0.715 1.00 1.00 C ATOM 385 C GLU A 25 -13.002 3.242 -0.480 1.00 1.00 C ATOM 386 O GLU A 25 -11.867 3.160 -0.947 1.00 1.00 O ATOM 387 CB GLU A 25 -15.095 2.686 -1.728 1.00 1.00 C ATOM 388 CG GLU A 25 -16.245 1.732 -2.067 1.00 1.00 C ATOM 389 CD GLU A 25 -17.367 1.716 -1.031 1.00 1.00 C ATOM 390 OE1 GLU A 25 -17.180 1.111 0.049 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.437 2.288 -1.301 1.00 1.00 O ATOM 0 H GLU A 25 -15.761 1.796 0.446 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.569 1.253 -1.095 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.518 3.610 -1.333 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.575 2.942 -2.651 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.662 2.012 -3.034 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -15.847 0.723 -2.172 1.00 1.00 H new ATOM 398 N VAL A 26 -13.421 4.253 0.266 1.00 1.00 N ATOM 399 CA VAL A 26 -12.600 5.409 0.622 1.00 1.00 C ATOM 400 C VAL A 26 -11.300 5.035 1.326 1.00 1.00 C ATOM 401 O VAL A 26 -10.231 5.555 1.007 1.00 1.00 O ATOM 402 CB VAL A 26 -13.400 6.312 1.574 1.00 1.00 C ATOM 403 CG1 VAL A 26 -12.602 7.526 2.004 1.00 1.00 C ATOM 404 CG2 VAL A 26 -14.690 6.737 0.917 1.00 1.00 C ATOM 0 H VAL A 26 -14.364 4.297 0.652 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.344 5.909 -0.312 1.00 1.00 H new ATOM 0 HB VAL A 26 -13.624 5.735 2.472 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -13.204 8.138 2.676 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -11.698 7.203 2.519 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -12.330 8.112 1.126 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -15.252 7.377 1.598 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -14.469 7.287 0.002 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -15.283 5.855 0.676 1.00 1.00 H new ATOM 414 N GLN A 27 -11.392 4.109 2.261 1.00 1.00 N ATOM 415 CA GLN A 27 -10.229 3.721 3.045 1.00 1.00 C ATOM 416 C GLN A 27 -9.293 2.807 2.257 1.00 1.00 C ATOM 417 O GLN A 27 -8.094 2.753 2.516 1.00 1.00 O ATOM 418 CB GLN A 27 -10.671 3.118 4.368 1.00 1.00 C ATOM 419 CG GLN A 27 -11.462 4.116 5.205 1.00 1.00 C ATOM 420 CD GLN A 27 -11.935 3.545 6.523 1.00 1.00 C ATOM 421 OE1 GLN A 27 -11.235 3.591 7.523 1.00 1.00 O ATOM 422 NE2 GLN A 27 -13.140 3.012 6.538 1.00 1.00 N ATOM 0 H GLN A 27 -12.251 3.613 2.497 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.645 4.613 3.270 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.282 2.235 4.180 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.796 2.786 4.927 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -10.842 4.991 5.397 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -12.325 4.456 4.633 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -13.698 2.990 5.685 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -13.514 2.622 7.403 1.00 1.00 H new ATOM 431 N VAL A 28 -9.846 2.089 1.295 1.00 1.00 N ATOM 432 CA VAL A 28 -9.036 1.266 0.414 1.00 1.00 C ATOM 433 C VAL A 28 -8.409 2.194 -0.630 1.00 1.00 C ATOM 434 O VAL A 28 -7.320 1.950 -1.152 1.00 1.00 O ATOM 435 CB VAL A 28 -9.882 0.169 -0.255 1.00 1.00 C ATOM 436 CG1 VAL A 28 -9.057 -0.687 -1.206 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.538 -0.697 0.808 1.00 1.00 C ATOM 0 H VAL A 28 -10.848 2.059 1.105 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.259 0.754 0.982 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.653 0.658 -0.850 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.694 -1.448 -1.656 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.635 -0.057 -1.990 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -8.250 -1.169 -0.654 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -11.136 -1.472 0.328 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.769 -1.162 1.424 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.181 -0.079 1.435 1.00 1.00 H new ATOM 447 N ALA A 29 -9.111 3.289 -0.906 1.00 1.00 N ATOM 448 CA ALA A 29 -8.613 4.304 -1.816 1.00 1.00 C ATOM 449 C ALA A 29 -7.424 5.002 -1.180 1.00 1.00 C ATOM 450 O ALA A 29 -6.440 5.315 -1.843 1.00 1.00 O ATOM 451 CB ALA A 29 -9.688 5.321 -2.138 1.00 1.00 C ATOM 0 H ALA A 29 -10.028 3.492 -0.509 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.312 3.822 -2.746 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.288 6.070 -2.822 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.535 4.819 -2.605 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.016 5.807 -1.219 1.00 1.00 H new ATOM 457 N LEU A 30 -7.514 5.251 0.120 1.00 1.00 N ATOM 458 CA LEU A 30 -6.404 5.877 0.812 1.00 1.00 C ATOM 459 C LEU A 30 -5.278 4.856 1.017 1.00 1.00 C ATOM 460 O LEU A 30 -4.104 5.220 1.022 1.00 1.00 O ATOM 461 CB LEU A 30 -6.850 6.575 2.118 1.00 1.00 C ATOM 462 CG LEU A 30 -7.272 5.699 3.313 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.065 5.213 4.109 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.206 6.495 4.222 1.00 1.00 C ATOM 0 H LEU A 30 -8.324 5.034 0.701 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.007 6.679 0.190 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.031 7.214 2.448 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.687 7.229 1.875 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.788 4.821 2.924 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.403 4.599 4.943 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.417 4.622 3.462 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.512 6.071 4.491 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.505 5.876 5.068 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.689 7.383 4.587 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.091 6.795 3.661 1.00 1.00 H new ATOM 476 N LEU A 31 -5.632 3.575 1.122 1.00 1.00 N ATOM 477 CA LEU A 31 -4.631 2.526 1.263 1.00 1.00 C ATOM 478 C LEU A 31 -3.851 2.448 -0.064 1.00 1.00 C ATOM 479 O LEU A 31 -2.621 2.406 -0.092 1.00 1.00 O ATOM 480 CB LEU A 31 -5.313 1.201 1.717 1.00 1.00 C ATOM 481 CG LEU A 31 -5.690 0.114 0.668 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.485 -0.537 0.006 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.523 -0.967 1.342 1.00 1.00 C ATOM 0 H LEU A 31 -6.597 3.244 1.112 1.00 1.00 H new ATOM 0 HA LEU A 31 -3.904 2.739 2.046 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.653 0.731 2.446 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.228 1.473 2.244 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.251 0.621 -0.117 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.824 -1.283 -0.712 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.898 0.223 -0.510 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.868 -1.018 0.765 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.789 -1.730 0.611 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.946 -1.422 2.147 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.431 -0.524 1.751 1.00 1.00 H new ATOM 495 N THR A 32 -4.596 2.519 -1.162 1.00 1.00 N ATOM 496 CA THR A 32 -4.021 2.517 -2.511 1.00 1.00 C ATOM 497 C THR A 32 -3.206 3.795 -2.753 1.00 1.00 C ATOM 498 O THR A 32 -2.155 3.754 -3.389 1.00 1.00 O ATOM 499 CB THR A 32 -5.141 2.399 -3.570 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.817 1.143 -3.415 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.607 2.515 -4.993 1.00 1.00 C ATOM 0 H THR A 32 -5.614 2.580 -1.147 1.00 1.00 H new ATOM 0 HA THR A 32 -3.357 1.657 -2.599 1.00 1.00 H new ATOM 0 HB THR A 32 -5.832 3.227 -3.409 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.424 1.191 -2.647 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.432 2.426 -5.700 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.122 3.483 -5.122 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.885 1.720 -5.176 1.00 1.00 H new ATOM 509 N LEU A 33 -3.670 4.927 -2.222 1.00 1.00 N ATOM 510 CA LEU A 33 -2.942 6.187 -2.390 1.00 1.00 C ATOM 511 C LEU A 33 -1.618 6.143 -1.625 1.00 1.00 C ATOM 512 O LEU A 33 -0.619 6.706 -2.069 1.00 1.00 O ATOM 513 CB LEU A 33 -3.778 7.392 -1.944 1.00 1.00 C ATOM 514 CG LEU A 33 -3.160 8.759 -2.271 1.00 1.00 C ATOM 515 CD1 LEU A 33 -3.009 8.939 -3.775 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.002 9.884 -1.690 1.00 1.00 C ATOM 0 H LEU A 33 -4.532 4.999 -1.681 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.734 6.308 -3.453 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.759 7.330 -2.415 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -3.936 7.328 -0.867 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.170 8.796 -1.817 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.569 9.915 -3.982 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.361 8.157 -4.172 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.988 8.874 -4.249 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.546 10.843 -1.934 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.006 9.842 -2.112 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.059 9.774 -0.607 1.00 1.00 H new ATOM 528 N ARG A 34 -1.599 5.478 -0.471 1.00 1.00 N ATOM 529 CA ARG A 34 -0.353 5.352 0.276 1.00 1.00 C ATOM 530 C ARG A 34 0.600 4.426 -0.492 1.00 1.00 C ATOM 531 O ARG A 34 1.801 4.682 -0.549 1.00 1.00 O ATOM 532 CB ARG A 34 -0.577 4.850 1.706 1.00 1.00 C ATOM 533 CG ARG A 34 -1.380 5.810 2.583 1.00 1.00 C ATOM 534 CD ARG A 34 -0.857 7.257 2.526 1.00 1.00 C ATOM 535 NE ARG A 34 0.589 7.360 2.803 1.00 1.00 N ATOM 536 CZ ARG A 34 1.275 8.484 2.802 1.00 1.00 C ATOM 537 NH1 ARG A 34 0.682 9.632 2.648 1.00 1.00 N ATOM 538 NH2 ARG A 34 2.566 8.452 2.985 1.00 1.00 N ATOM 0 H ARG A 34 -2.409 5.030 -0.043 1.00 1.00 H new ATOM 0 HA ARG A 34 0.092 6.343 0.369 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.094 3.891 1.667 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.391 4.671 2.173 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -2.424 5.794 2.269 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -1.353 5.460 3.615 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.063 7.673 1.540 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -1.404 7.864 3.248 1.00 1.00 H new ATOM 0 HE ARG A 34 1.094 6.498 3.010 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -0.330 9.671 2.526 1.00 1.00 H new ATOM 0 HH12 ARG A 34 1.229 10.493 2.650 1.00 1.00 H new ATOM 0 HH21 ARG A 34 3.039 7.560 3.128 1.00 1.00 H new ATOM 0 HH22 ARG A 34 3.103 9.319 2.985 1.00 1.00 H new ATOM 552 N ILE A 35 0.058 3.358 -1.097 1.00 1.00 N ATOM 553 CA ILE A 35 0.872 2.455 -1.919 1.00 1.00 C ATOM 554 C ILE A 35 1.396 3.230 -3.142 1.00 1.00 C ATOM 555 O ILE A 35 2.554 3.094 -3.533 1.00 1.00 O ATOM 556 CB ILE A 35 0.074 1.206 -2.380 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.361 0.382 -1.161 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.902 0.350 -3.337 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.169 -0.856 -1.501 1.00 1.00 C ATOM 0 H ILE A 35 -0.927 3.102 -1.033 1.00 1.00 H new ATOM 0 HA ILE A 35 1.704 2.097 -1.313 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.814 1.542 -2.915 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.527 0.081 -0.605 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -0.951 1.017 -0.500 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.320 -0.519 -3.645 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.167 0.939 -4.215 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.811 0.018 -2.835 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.435 -1.380 -0.583 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.077 -0.564 -2.029 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.576 -1.515 -2.136 1.00 1.00 H new ATOM 571 N ASN A 36 0.523 4.062 -3.721 1.00 1.00 N ATOM 572 CA ASN A 36 0.872 4.919 -4.863 1.00 1.00 C ATOM 573 C ASN A 36 2.022 5.858 -4.485 1.00 1.00 C ATOM 574 O ASN A 36 3.024 5.963 -5.190 1.00 1.00 O ATOM 575 CB ASN A 36 -0.347 5.766 -5.261 1.00 1.00 C ATOM 576 CG ASN A 36 -0.095 6.670 -6.454 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.418 7.777 -6.318 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.490 6.224 -7.630 1.00 1.00 N ATOM 0 H ASN A 36 -0.444 4.161 -3.413 1.00 1.00 H new ATOM 0 HA ASN A 36 1.177 4.286 -5.696 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.181 5.103 -5.488 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.648 6.377 -4.410 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.373 6.804 -8.461 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.913 5.299 -7.709 1.00 1.00 H new ATOM 585 N ARG A 37 1.863 6.508 -3.336 1.00 1.00 N ATOM 586 CA ARG A 37 2.853 7.444 -2.820 1.00 1.00 C ATOM 587 C ARG A 37 4.175 6.733 -2.630 1.00 1.00 C ATOM 588 O ARG A 37 5.226 7.175 -3.094 1.00 1.00 O ATOM 589 CB ARG A 37 2.392 7.976 -1.460 1.00 1.00 C ATOM 590 CG ARG A 37 2.928 9.352 -1.128 1.00 1.00 C ATOM 591 CD ARG A 37 1.934 10.450 -1.520 1.00 1.00 C ATOM 592 NE ARG A 37 1.501 10.371 -2.929 1.00 1.00 N ATOM 593 CZ ARG A 37 0.327 10.757 -3.374 1.00 1.00 C ATOM 594 NH1 ARG A 37 -0.574 11.230 -2.561 1.00 1.00 N ATOM 595 NH2 ARG A 37 0.050 10.661 -4.644 1.00 1.00 N ATOM 0 H ARG A 37 1.044 6.400 -2.738 1.00 1.00 H new ATOM 0 HA ARG A 37 2.968 8.265 -3.528 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.303 8.007 -1.443 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.703 7.278 -0.683 1.00 1.00 H new ATOM 0 HG2 ARG A 37 3.138 9.414 -0.060 1.00 1.00 H new ATOM 0 HG3 ARG A 37 3.872 9.511 -1.649 1.00 1.00 H new ATOM 0 HD2 ARG A 37 1.058 10.385 -0.874 1.00 1.00 H new ATOM 0 HD3 ARG A 37 2.390 11.424 -1.342 1.00 1.00 H new ATOM 0 HE ARG A 37 2.161 9.989 -3.606 1.00 1.00 H new ATOM 0 HH11 ARG A 37 -0.372 11.305 -1.564 1.00 1.00 H new ATOM 0 HH12 ARG A 37 -1.481 11.526 -2.921 1.00 1.00 H new ATOM 0 HH21 ARG A 37 0.744 10.287 -5.291 1.00 1.00 H new ATOM 0 HH22 ARG A 37 -0.861 10.960 -4.991 1.00 1.00 H new ATOM 609 N LEU A 38 4.073 5.591 -1.968 1.00 1.00 N ATOM 610 CA LEU A 38 5.204 4.758 -1.649 1.00 1.00 C ATOM 611 C LEU A 38 5.918 4.275 -2.908 1.00 1.00 C ATOM 612 O LEU A 38 7.135 4.234 -2.955 1.00 1.00 O ATOM 613 CB LEU A 38 4.720 3.580 -0.811 1.00 1.00 C ATOM 614 CG LEU A 38 5.809 2.636 -0.313 1.00 1.00 C ATOM 615 CD1 LEU A 38 6.761 3.353 0.634 1.00 1.00 C ATOM 616 CD2 LEU A 38 5.191 1.425 0.370 1.00 1.00 C ATOM 0 H LEU A 38 3.184 5.218 -1.635 1.00 1.00 H new ATOM 0 HA LEU A 38 5.929 5.342 -1.081 1.00 1.00 H new ATOM 0 HB2 LEU A 38 4.178 3.969 0.051 1.00 1.00 H new ATOM 0 HB3 LEU A 38 4.008 3.005 -1.402 1.00 1.00 H new ATOM 0 HG LEU A 38 6.382 2.295 -1.175 1.00 1.00 H new ATOM 0 HD11 LEU A 38 7.528 2.657 0.975 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.232 4.187 0.114 1.00 1.00 H new ATOM 0 HD13 LEU A 38 6.205 3.729 1.493 1.00 1.00 H new ATOM 0 HD21 LEU A 38 5.982 0.761 0.720 1.00 1.00 H new ATOM 0 HD22 LEU A 38 4.591 1.753 1.219 1.00 1.00 H new ATOM 0 HD23 LEU A 38 4.557 0.892 -0.338 1.00 1.00 H new ATOM 628 N SER A 39 5.156 3.928 -3.933 1.00 1.00 N ATOM 629 CA SER A 39 5.750 3.473 -5.185 1.00 1.00 C ATOM 630 C SER A 39 6.542 4.605 -5.848 1.00 1.00 C ATOM 631 O SER A 39 7.612 4.384 -6.408 1.00 1.00 O ATOM 632 CB SER A 39 4.664 2.951 -6.129 1.00 1.00 C ATOM 633 OG SER A 39 3.918 1.908 -5.518 1.00 1.00 O ATOM 0 H SER A 39 4.136 3.951 -3.927 1.00 1.00 H new ATOM 0 HA SER A 39 6.439 2.658 -4.966 1.00 1.00 H new ATOM 0 HB2 SER A 39 3.996 3.766 -6.407 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.121 2.586 -7.049 1.00 1.00 H new ATOM 0 HG SER A 39 3.380 2.276 -4.786 1.00 1.00 H new ATOM 639 N GLU A 40 6.036 5.835 -5.728 1.00 1.00 N ATOM 640 CA GLU A 40 6.719 7.001 -6.301 1.00 1.00 C ATOM 641 C GLU A 40 7.960 7.319 -5.490 1.00 1.00 C ATOM 642 O GLU A 40 8.887 7.998 -5.947 1.00 1.00 O ATOM 643 CB GLU A 40 5.776 8.194 -6.355 1.00 1.00 C ATOM 644 CG GLU A 40 4.793 8.052 -7.490 1.00 1.00 C ATOM 645 CD GLU A 40 5.505 8.062 -8.830 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.809 9.160 -9.343 1.00 1.00 O ATOM 647 OE2 GLU A 40 5.827 6.972 -9.353 1.00 1.00 O ATOM 0 H GLU A 40 5.164 6.050 -5.244 1.00 1.00 H new ATOM 0 HA GLU A 40 7.025 6.772 -7.322 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.238 8.280 -5.411 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.351 9.112 -6.479 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.234 7.123 -7.378 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.069 8.866 -7.453 1.00 1.00 H new ATOM 654 N HIS A 41 7.954 6.832 -4.268 1.00 1.00 N ATOM 655 CA HIS A 41 9.078 6.965 -3.390 1.00 1.00 C ATOM 656 C HIS A 41 10.126 5.928 -3.773 1.00 1.00 C ATOM 657 O HIS A 41 11.218 6.267 -4.200 1.00 1.00 O ATOM 658 CB HIS A 41 8.660 6.699 -1.954 1.00 1.00 C ATOM 659 CG HIS A 41 8.075 7.861 -1.237 1.00 1.00 C ATOM 660 ND1 HIS A 41 8.252 8.059 0.106 1.00 1.00 N ATOM 661 CD2 HIS A 41 7.306 8.892 -1.671 1.00 1.00 C ATOM 662 CE1 HIS A 41 7.611 9.172 0.450 1.00 1.00 C ATOM 663 NE2 HIS A 41 7.016 9.722 -0.595 1.00 1.00 N ATOM 0 H HIS A 41 7.163 6.332 -3.862 1.00 1.00 H new ATOM 0 HA HIS A 41 9.475 7.977 -3.476 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.933 5.887 -1.949 1.00 1.00 H new ATOM 0 HB3 HIS A 41 9.531 6.351 -1.398 1.00 1.00 H new ATOM 0 HD1 HIS A 41 8.784 7.457 0.734 1.00 1.00 H new ATOM 0 HD2 HIS A 41 6.974 9.043 -2.687 1.00 1.00 H new ATOM 0 HE1 HIS A 41 7.580 9.574 1.452 1.00 1.00 H new ATOM 671 N LEU A 42 9.712 4.660 -3.689 1.00 1.00 N ATOM 672 CA LEU A 42 10.565 3.500 -3.960 1.00 1.00 C ATOM 673 C LEU A 42 11.196 3.495 -5.355 1.00 1.00 C ATOM 674 O LEU A 42 12.178 2.795 -5.575 1.00 1.00 O ATOM 675 CB LEU A 42 9.764 2.214 -3.795 1.00 1.00 C ATOM 676 CG LEU A 42 9.008 2.058 -2.476 1.00 1.00 C ATOM 677 CD1 LEU A 42 8.107 0.839 -2.553 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.968 1.947 -1.298 1.00 1.00 C ATOM 0 H LEU A 42 8.759 4.407 -3.427 1.00 1.00 H new ATOM 0 HA LEU A 42 11.379 3.565 -3.237 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.045 2.150 -4.612 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.445 1.369 -3.902 1.00 1.00 H new ATOM 0 HG LEU A 42 8.398 2.947 -2.314 1.00 1.00 H new ATOM 0 HD11 LEU A 42 7.567 0.726 -1.613 1.00 1.00 H new ATOM 0 HD12 LEU A 42 7.394 0.964 -3.368 1.00 1.00 H new ATOM 0 HD13 LEU A 42 8.712 -0.050 -2.733 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.400 1.837 -0.374 1.00 1.00 H new ATOM 0 HD22 LEU A 42 10.611 1.078 -1.434 1.00 1.00 H new ATOM 0 HD23 LEU A 42 10.581 2.847 -1.242 1.00 1.00 H new ATOM 690 N LYS A 43 10.640 4.239 -6.317 1.00 1.00 N ATOM 691 CA LYS A 43 11.267 4.253 -7.643 1.00 1.00 C ATOM 692 C LYS A 43 12.537 5.127 -7.637 1.00 1.00 C ATOM 693 O LYS A 43 13.178 5.362 -8.658 1.00 1.00 O ATOM 694 CB LYS A 43 10.281 4.550 -8.798 1.00 1.00 C ATOM 695 CG LYS A 43 9.417 5.814 -8.726 1.00 1.00 C ATOM 696 CD LYS A 43 10.159 7.058 -9.188 1.00 1.00 C ATOM 697 CE LYS A 43 9.237 8.272 -9.281 1.00 1.00 C ATOM 698 NZ LYS A 43 8.129 8.094 -10.269 1.00 1.00 N ATOM 0 H LYS A 43 9.802 4.811 -6.215 1.00 1.00 H new ATOM 0 HA LYS A 43 11.594 3.236 -7.862 1.00 1.00 H new ATOM 0 HB2 LYS A 43 10.859 4.598 -9.721 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.609 3.696 -8.886 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.528 5.677 -9.341 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.076 5.959 -7.701 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.973 7.273 -8.495 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.611 6.870 -10.162 1.00 1.00 H new ATOM 0 HE2 LYS A 43 8.810 8.473 -8.298 1.00 1.00 H new ATOM 0 HE3 LYS A 43 9.825 9.147 -9.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.490 8.914 -10.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 8.527 8.015 -11.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 7.598 7.229 -10.043 1.00 1.00 H new ATOM 712 N VAL A 44 12.862 5.590 -6.435 1.00 1.00 N ATOM 713 CA VAL A 44 14.079 6.338 -6.124 1.00 1.00 C ATOM 714 C VAL A 44 14.597 5.823 -4.775 1.00 1.00 C ATOM 715 O VAL A 44 15.785 5.593 -4.569 1.00 1.00 O ATOM 716 CB VAL A 44 13.837 7.866 -5.948 1.00 1.00 C ATOM 717 CG1 VAL A 44 15.139 8.593 -5.631 1.00 1.00 C ATOM 718 CG2 VAL A 44 13.168 8.493 -7.159 1.00 1.00 C ATOM 0 H VAL A 44 12.265 5.451 -5.620 1.00 1.00 H new ATOM 0 HA VAL A 44 14.771 6.195 -6.954 1.00 1.00 H new ATOM 0 HB VAL A 44 13.154 7.976 -5.105 1.00 1.00 H new ATOM 0 HG11 VAL A 44 14.941 9.658 -5.513 1.00 1.00 H new ATOM 0 HG12 VAL A 44 15.561 8.198 -4.707 1.00 1.00 H new ATOM 0 HG13 VAL A 44 15.847 8.443 -6.446 1.00 1.00 H new ATOM 0 HG21 VAL A 44 13.023 9.559 -6.983 1.00 1.00 H new ATOM 0 HG22 VAL A 44 13.799 8.353 -8.037 1.00 1.00 H new ATOM 0 HG23 VAL A 44 12.201 8.018 -7.327 1.00 1.00 H new ATOM 728 N HIS A 45 13.612 5.548 -3.918 1.00 1.00 N ATOM 729 CA HIS A 45 13.774 5.165 -2.503 1.00 1.00 C ATOM 730 C HIS A 45 14.345 6.368 -1.764 1.00 1.00 C ATOM 731 O HIS A 45 15.527 6.681 -1.866 1.00 1.00 O ATOM 732 CB HIS A 45 14.643 3.928 -2.200 1.00 1.00 C ATOM 733 CG HIS A 45 14.225 2.635 -2.844 1.00 1.00 C ATOM 734 ND1 HIS A 45 14.812 2.094 -3.974 1.00 1.00 N ATOM 735 CD2 HIS A 45 13.335 1.710 -2.409 1.00 1.00 C ATOM 736 CE1 HIS A 45 14.282 0.877 -4.165 1.00 1.00 C ATOM 737 NE2 HIS A 45 13.380 0.598 -3.248 1.00 1.00 N ATOM 0 H HIS A 45 12.632 5.586 -4.199 1.00 1.00 H new ATOM 0 HA HIS A 45 12.780 4.868 -2.170 1.00 1.00 H new ATOM 0 HB2 HIS A 45 15.665 4.147 -2.508 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.660 3.780 -1.120 1.00 1.00 H new ATOM 0 HD1 HIS A 45 15.520 2.540 -4.557 1.00 1.00 H new ATOM 0 HD2 HIS A 45 12.692 1.818 -1.548 1.00 1.00 H new ATOM 0 HE1 HIS A 45 14.560 0.211 -4.969 1.00 1.00 H new ATOM 745 N LYS A 46 13.500 7.033 -1.016 1.00 1.00 N ATOM 746 CA LYS A 46 13.921 8.240 -0.318 1.00 1.00 C ATOM 747 C LYS A 46 14.480 7.933 1.071 1.00 1.00 C ATOM 748 O LYS A 46 15.685 7.954 1.308 1.00 1.00 O ATOM 749 CB LYS A 46 12.727 9.197 -0.156 1.00 1.00 C ATOM 750 CG LYS A 46 12.047 9.624 -1.452 1.00 1.00 C ATOM 751 CD LYS A 46 10.901 10.582 -1.153 1.00 1.00 C ATOM 752 CE LYS A 46 10.101 10.959 -2.393 1.00 1.00 C ATOM 753 NZ LYS A 46 10.899 11.745 -3.379 1.00 1.00 N ATOM 0 H LYS A 46 12.525 6.770 -0.870 1.00 1.00 H new ATOM 0 HA LYS A 46 14.707 8.698 -0.919 1.00 1.00 H new ATOM 0 HB2 LYS A 46 11.985 8.719 0.483 1.00 1.00 H new ATOM 0 HB3 LYS A 46 13.068 10.091 0.366 1.00 1.00 H new ATOM 0 HG2 LYS A 46 12.771 10.105 -2.110 1.00 1.00 H new ATOM 0 HG3 LYS A 46 11.670 8.748 -1.979 1.00 1.00 H new ATOM 0 HD2 LYS A 46 10.234 10.125 -0.422 1.00 1.00 H new ATOM 0 HD3 LYS A 46 11.301 11.487 -0.697 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.732 10.052 -2.872 1.00 1.00 H new ATOM 0 HE3 LYS A 46 9.228 11.539 -2.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 10.306 11.974 -4.202 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 11.230 12.625 -2.935 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 11.718 11.184 -3.688 1.00 1.00 H new ATOM 767 N LYS A 47 13.571 7.621 1.963 1.00 1.00 N ATOM 768 CA LYS A 47 13.867 7.345 3.364 1.00 1.00 C ATOM 769 C LYS A 47 13.047 6.142 3.787 1.00 1.00 C ATOM 770 O LYS A 47 12.915 5.821 4.964 1.00 1.00 O ATOM 771 CB LYS A 47 13.387 8.534 4.198 1.00 1.00 C ATOM 772 CG LYS A 47 13.964 9.886 3.815 1.00 1.00 C ATOM 773 CD LYS A 47 13.261 10.993 4.587 1.00 1.00 C ATOM 774 CE LYS A 47 13.801 12.366 4.231 1.00 1.00 C ATOM 775 NZ LYS A 47 13.036 13.453 4.909 1.00 1.00 N ATOM 0 H LYS A 47 12.579 7.548 1.738 1.00 1.00 H new ATOM 0 HA LYS A 47 14.934 7.170 3.502 1.00 1.00 H new ATOM 0 HB2 LYS A 47 12.301 8.590 4.125 1.00 1.00 H new ATOM 0 HB3 LYS A 47 13.627 8.341 5.244 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.033 9.907 4.027 1.00 1.00 H new ATOM 0 HG3 LYS A 47 13.848 10.049 2.744 1.00 1.00 H new ATOM 0 HD2 LYS A 47 12.192 10.958 4.377 1.00 1.00 H new ATOM 0 HD3 LYS A 47 13.382 10.822 5.657 1.00 1.00 H new ATOM 0 HE2 LYS A 47 14.851 12.429 4.515 1.00 1.00 H new ATOM 0 HE3 LYS A 47 13.754 12.507 3.151 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 13.434 14.376 4.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 12.038 13.409 4.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 13.102 13.333 5.940 1.00 1.00 H new ATOM 789 N ASP A 48 12.556 5.459 2.781 1.00 1.00 N ATOM 790 CA ASP A 48 11.610 4.370 2.944 1.00 1.00 C ATOM 791 C ASP A 48 12.219 3.041 3.403 1.00 1.00 C ATOM 792 O ASP A 48 11.545 2.233 4.043 1.00 1.00 O ATOM 793 CB ASP A 48 10.913 4.191 1.599 1.00 1.00 C ATOM 794 CG ASP A 48 10.473 5.521 1.019 1.00 1.00 C ATOM 795 OD1 ASP A 48 9.360 5.975 1.343 1.00 1.00 O ATOM 796 OD2 ASP A 48 11.257 6.128 0.251 1.00 1.00 O ATOM 0 H ASP A 48 12.803 5.643 1.809 1.00 1.00 H new ATOM 0 HA ASP A 48 10.925 4.641 3.747 1.00 1.00 H new ATOM 0 HB2 ASP A 48 11.588 3.694 0.902 1.00 1.00 H new ATOM 0 HB3 ASP A 48 10.046 3.542 1.721 1.00 1.00 H new ATOM 801 N HIS A 49 13.494 2.845 3.094 1.00 1.00 N ATOM 802 CA HIS A 49 14.215 1.601 3.394 1.00 1.00 C ATOM 803 C HIS A 49 13.789 0.505 2.400 1.00 1.00 C ATOM 804 O HIS A 49 12.715 0.568 1.804 1.00 1.00 O ATOM 805 CB HIS A 49 14.028 1.111 4.843 1.00 1.00 C ATOM 806 CG HIS A 49 14.550 2.045 5.899 1.00 1.00 C ATOM 807 ND1 HIS A 49 13.764 2.936 6.594 1.00 1.00 N ATOM 808 CD2 HIS A 49 15.804 2.180 6.410 1.00 1.00 C ATOM 809 CE1 HIS A 49 14.540 3.565 7.487 1.00 1.00 C ATOM 810 NE2 HIS A 49 15.785 3.142 7.414 1.00 1.00 N ATOM 0 H HIS A 49 14.067 3.546 2.624 1.00 1.00 H new ATOM 0 HA HIS A 49 15.277 1.820 3.286 1.00 1.00 H new ATOM 0 HB2 HIS A 49 12.966 0.943 5.020 1.00 1.00 H new ATOM 0 HB3 HIS A 49 14.526 0.147 4.952 1.00 1.00 H new ATOM 0 HD2 HIS A 49 16.675 1.628 6.087 1.00 1.00 H new ATOM 0 HE1 HIS A 49 14.190 4.320 8.176 1.00 1.00 H new ATOM 0 HE2 HIS A 49 16.574 3.456 7.979 1.00 1.00 H new ATOM 818 N HIS A 50 14.608 -0.523 2.245 1.00 1.00 N ATOM 819 CA HIS A 50 14.303 -1.590 1.277 1.00 1.00 C ATOM 820 C HIS A 50 13.540 -2.726 1.936 1.00 1.00 C ATOM 821 O HIS A 50 13.384 -3.814 1.380 1.00 1.00 O ATOM 822 CB HIS A 50 15.585 -2.129 0.645 1.00 1.00 C ATOM 823 CG HIS A 50 16.368 -1.104 -0.120 1.00 1.00 C ATOM 824 ND1 HIS A 50 16.457 -1.072 -1.492 1.00 1.00 N ATOM 825 CD2 HIS A 50 17.126 -0.071 0.328 1.00 1.00 C ATOM 826 CE1 HIS A 50 17.253 -0.049 -1.830 1.00 1.00 C ATOM 827 NE2 HIS A 50 17.683 0.590 -0.763 1.00 1.00 N ATOM 0 H HIS A 50 15.478 -0.650 2.763 1.00 1.00 H new ATOM 0 HA HIS A 50 13.677 -1.157 0.497 1.00 1.00 H new ATOM 0 HB2 HIS A 50 16.218 -2.543 1.430 1.00 1.00 H new ATOM 0 HB3 HIS A 50 15.330 -2.950 -0.025 1.00 1.00 H new ATOM 0 HD2 HIS A 50 17.273 0.195 1.364 1.00 1.00 H new ATOM 0 HE1 HIS A 50 17.508 0.217 -2.845 1.00 1.00 H new ATOM 0 HE2 HIS A 50 18.298 1.403 -0.740 1.00 1.00 H new ATOM 835 N SER A 51 13.059 -2.442 3.119 1.00 1.00 N ATOM 836 CA SER A 51 12.312 -3.393 3.908 1.00 1.00 C ATOM 837 C SER A 51 10.826 -3.065 3.881 1.00 1.00 C ATOM 838 O SER A 51 9.980 -3.940 4.018 1.00 1.00 O ATOM 839 CB SER A 51 12.821 -3.316 5.337 1.00 1.00 C ATOM 840 OG SER A 51 12.920 -1.955 5.747 1.00 1.00 O ATOM 0 H SER A 51 13.175 -1.534 3.569 1.00 1.00 H new ATOM 0 HA SER A 51 12.446 -4.395 3.500 1.00 1.00 H new ATOM 0 HB2 SER A 51 12.147 -3.856 6.001 1.00 1.00 H new ATOM 0 HB3 SER A 51 13.796 -3.798 5.411 1.00 1.00 H new ATOM 0 HG SER A 51 13.247 -1.914 6.670 1.00 1.00 H new ATOM 846 N HIS A 52 10.520 -1.797 3.656 1.00 1.00 N ATOM 847 CA HIS A 52 9.137 -1.338 3.652 1.00 1.00 C ATOM 848 C HIS A 52 8.600 -1.174 2.239 1.00 1.00 C ATOM 849 O HIS A 52 7.542 -0.574 2.039 1.00 1.00 O ATOM 850 CB HIS A 52 9.022 -0.007 4.395 1.00 1.00 C ATOM 851 CG HIS A 52 9.521 -0.064 5.802 1.00 1.00 C ATOM 852 ND1 HIS A 52 10.652 0.583 6.236 1.00 1.00 N ATOM 853 CD2 HIS A 52 9.025 -0.718 6.882 1.00 1.00 C ATOM 854 CE1 HIS A 52 10.812 0.308 7.535 1.00 1.00 C ATOM 855 NE2 HIS A 52 9.850 -0.477 7.975 1.00 1.00 N ATOM 0 H HIS A 52 11.209 -1.067 3.474 1.00 1.00 H new ATOM 0 HA HIS A 52 8.541 -2.098 4.157 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.581 0.753 3.850 1.00 1.00 H new ATOM 0 HB3 HIS A 52 7.978 0.308 4.401 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.133 -1.327 6.891 1.00 1.00 H new ATOM 0 HE1 HIS A 52 11.623 0.680 8.143 1.00 1.00 H new ATOM 0 HE2 HIS A 52 9.734 -0.835 8.923 1.00 1.00 H new ATOM 863 N ARG A 53 9.307 -1.708 1.251 1.00 1.00 N ATOM 864 CA ARG A 53 8.835 -1.582 -0.116 1.00 1.00 C ATOM 865 C ARG A 53 7.654 -2.509 -0.348 1.00 1.00 C ATOM 866 O ARG A 53 7.798 -3.684 -0.684 1.00 1.00 O ATOM 867 CB ARG A 53 9.944 -1.757 -1.156 1.00 1.00 C ATOM 868 CG ARG A 53 10.861 -2.961 -1.016 1.00 1.00 C ATOM 869 CD ARG A 53 11.868 -2.937 -2.167 1.00 1.00 C ATOM 870 NE ARG A 53 12.942 -3.923 -2.039 1.00 1.00 N ATOM 871 CZ ARG A 53 14.016 -3.927 -2.787 1.00 1.00 C ATOM 872 NH1 ARG A 53 14.141 -3.075 -3.765 1.00 1.00 N ATOM 873 NH2 ARG A 53 14.956 -4.792 -2.564 1.00 1.00 N ATOM 0 H ARG A 53 10.183 -2.217 1.367 1.00 1.00 H new ATOM 0 HA ARG A 53 8.491 -0.557 -0.254 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.477 -1.804 -2.140 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.563 -0.860 -1.140 1.00 1.00 H new ATOM 0 HG2 ARG A 53 11.380 -2.933 -0.058 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.281 -3.884 -1.038 1.00 1.00 H new ATOM 0 HD2 ARG A 53 11.338 -3.112 -3.103 1.00 1.00 H new ATOM 0 HD3 ARG A 53 12.308 -1.942 -2.231 1.00 1.00 H new ATOM 0 HE ARG A 53 12.848 -4.647 -1.327 1.00 1.00 H new ATOM 0 HH11 ARG A 53 13.399 -2.400 -3.951 1.00 1.00 H new ATOM 0 HH12 ARG A 53 14.980 -3.083 -4.344 1.00 1.00 H new ATOM 0 HH21 ARG A 53 14.858 -5.468 -1.807 1.00 1.00 H new ATOM 0 HH22 ARG A 53 15.794 -4.796 -3.146 1.00 1.00 H new ATOM 887 N GLY A 54 6.481 -1.926 -0.143 1.00 1.00 N ATOM 888 CA GLY A 54 5.244 -2.652 -0.235 1.00 1.00 C ATOM 889 C GLY A 54 5.205 -3.715 0.821 1.00 1.00 C ATOM 890 O GLY A 54 5.102 -4.913 0.544 1.00 1.00 O ATOM 0 H GLY A 54 6.371 -0.939 0.090 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.401 -1.972 -0.112 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.148 -3.103 -1.223 1.00 1.00 H new ATOM 894 N LEU A 55 5.396 -3.253 2.047 1.00 1.00 N ATOM 895 CA LEU A 55 5.352 -4.119 3.190 1.00 1.00 C ATOM 896 C LEU A 55 4.052 -4.915 3.175 1.00 1.00 C ATOM 897 O LEU A 55 2.986 -4.404 2.809 1.00 1.00 O ATOM 898 CB LEU A 55 5.573 -3.340 4.507 1.00 1.00 C ATOM 899 CG LEU A 55 4.609 -2.186 4.868 1.00 1.00 C ATOM 900 CD1 LEU A 55 4.886 -1.730 6.294 1.00 1.00 C ATOM 901 CD2 LEU A 55 4.746 -0.989 3.934 1.00 1.00 C ATOM 0 H LEU A 55 5.584 -2.274 2.265 1.00 1.00 H new ATOM 0 HA LEU A 55 6.177 -4.830 3.135 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.544 -4.061 5.324 1.00 1.00 H new ATOM 0 HB3 LEU A 55 6.582 -2.929 4.481 1.00 1.00 H new ATOM 0 HG LEU A 55 3.594 -2.570 4.765 1.00 1.00 H new ATOM 0 HD11 LEU A 55 4.209 -0.916 6.554 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.731 -2.564 6.979 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.916 -1.383 6.371 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.045 -0.210 4.235 1.00 1.00 H new ATOM 0 HD22 LEU A 55 5.763 -0.602 3.986 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.527 -1.298 2.912 1.00 1.00 H new ATOM 913 N LEU A 56 4.173 -6.177 3.557 1.00 1.00 N ATOM 914 CA LEU A 56 3.060 -7.132 3.557 1.00 1.00 C ATOM 915 C LEU A 56 1.818 -6.569 4.236 1.00 1.00 C ATOM 916 O LEU A 56 0.698 -6.982 3.947 1.00 1.00 O ATOM 917 CB LEU A 56 3.518 -8.422 4.220 1.00 1.00 C ATOM 918 CG LEU A 56 4.592 -9.185 3.437 1.00 1.00 C ATOM 919 CD1 LEU A 56 4.971 -10.461 4.163 1.00 1.00 C ATOM 920 CD2 LEU A 56 4.120 -9.500 2.022 1.00 1.00 C ATOM 0 H LEU A 56 5.054 -6.578 3.880 1.00 1.00 H new ATOM 0 HA LEU A 56 2.774 -7.334 2.525 1.00 1.00 H new ATOM 0 HB2 LEU A 56 3.904 -8.190 5.212 1.00 1.00 H new ATOM 0 HB3 LEU A 56 2.654 -9.073 4.358 1.00 1.00 H new ATOM 0 HG LEU A 56 5.473 -8.547 3.366 1.00 1.00 H new ATOM 0 HD11 LEU A 56 5.735 -10.991 3.593 1.00 1.00 H new ATOM 0 HD12 LEU A 56 5.360 -10.216 5.151 1.00 1.00 H new ATOM 0 HD13 LEU A 56 4.091 -11.095 4.267 1.00 1.00 H new ATOM 0 HD21 LEU A 56 4.902 -10.042 1.490 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.220 -10.113 2.067 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.900 -8.571 1.496 1.00 1.00 H new ATOM 932 N MET A 57 2.051 -5.659 5.171 1.00 1.00 N ATOM 933 CA MET A 57 0.992 -4.937 5.856 1.00 1.00 C ATOM 934 C MET A 57 -0.089 -4.479 4.880 1.00 1.00 C ATOM 935 O MET A 57 -1.228 -4.928 4.929 1.00 1.00 O ATOM 936 CB MET A 57 1.580 -3.676 6.475 1.00 1.00 C ATOM 937 CG MET A 57 0.568 -2.840 7.236 1.00 1.00 C ATOM 938 SD MET A 57 1.242 -1.265 7.798 1.00 1.00 S ATOM 939 CE MET A 57 2.424 -1.812 9.026 1.00 1.00 C ATOM 0 H MET A 57 2.989 -5.400 5.477 1.00 1.00 H new ATOM 0 HA MET A 57 0.561 -5.605 6.602 1.00 1.00 H new ATOM 0 HB2 MET A 57 2.388 -3.957 7.151 1.00 1.00 H new ATOM 0 HB3 MET A 57 2.021 -3.067 5.686 1.00 1.00 H new ATOM 0 HG2 MET A 57 -0.295 -2.653 6.597 1.00 1.00 H new ATOM 0 HG3 MET A 57 0.211 -3.405 8.097 1.00 1.00 H new ATOM 0 HE1 MET A 57 2.238 -1.293 9.966 1.00 1.00 H new ATOM 0 HE2 MET A 57 2.320 -2.886 9.178 1.00 1.00 H new ATOM 0 HE3 MET A 57 3.434 -1.590 8.683 1.00 1.00 H new ATOM 949 N MET A 58 0.300 -3.608 3.957 1.00 1.00 N ATOM 950 CA MET A 58 -0.660 -3.057 3.015 1.00 1.00 C ATOM 951 C MET A 58 -0.986 -4.035 1.892 1.00 1.00 C ATOM 952 O MET A 58 -2.123 -4.109 1.454 1.00 1.00 O ATOM 953 CB MET A 58 -0.182 -1.721 2.440 1.00 1.00 C ATOM 954 CG MET A 58 -0.127 -0.605 3.474 1.00 1.00 C ATOM 955 SD MET A 58 0.187 1.020 2.749 1.00 1.00 S ATOM 956 CE MET A 58 1.803 0.781 2.014 1.00 1.00 C ATOM 0 H MET A 58 1.257 -3.274 3.843 1.00 1.00 H new ATOM 0 HA MET A 58 -1.577 -2.878 3.576 1.00 1.00 H new ATOM 0 HB2 MET A 58 0.809 -1.854 2.006 1.00 1.00 H new ATOM 0 HB3 MET A 58 -0.847 -1.423 1.630 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.070 -0.577 4.019 1.00 1.00 H new ATOM 0 HG3 MET A 58 0.654 -0.829 4.200 1.00 1.00 H new ATOM 0 HE1 MET A 58 2.138 1.714 1.561 1.00 1.00 H new ATOM 0 HE2 MET A 58 2.511 0.476 2.784 1.00 1.00 H new ATOM 0 HE3 MET A 58 1.744 0.007 1.249 1.00 1.00 H new ATOM 966 N VAL A 59 -0.001 -4.801 1.439 1.00 1.00 N ATOM 967 CA VAL A 59 -0.242 -5.763 0.366 1.00 1.00 C ATOM 968 C VAL A 59 -1.266 -6.817 0.796 1.00 1.00 C ATOM 969 O VAL A 59 -2.294 -7.008 0.141 1.00 1.00 O ATOM 970 CB VAL A 59 1.057 -6.469 -0.075 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.778 -7.488 -1.171 1.00 1.00 C ATOM 972 CG2 VAL A 59 2.078 -5.450 -0.552 1.00 1.00 C ATOM 0 H VAL A 59 0.957 -4.778 1.789 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.634 -5.198 -0.480 1.00 1.00 H new ATOM 0 HB VAL A 59 1.464 -6.998 0.787 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.710 -7.972 -1.464 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.080 -8.239 -0.800 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.344 -6.984 -2.034 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.989 -5.964 -0.860 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.671 -4.896 -1.398 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.308 -4.758 0.259 1.00 1.00 H new ATOM 982 N GLY A 60 -0.995 -7.460 1.921 1.00 1.00 N ATOM 983 CA GLY A 60 -1.881 -8.487 2.426 1.00 1.00 C ATOM 984 C GLY A 60 -3.216 -7.944 2.897 1.00 1.00 C ATOM 985 O GLY A 60 -4.259 -8.535 2.627 1.00 1.00 O ATOM 0 H GLY A 60 -0.171 -7.287 2.497 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.052 -9.227 1.644 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.394 -9.004 3.253 1.00 1.00 H new ATOM 989 N GLN A 61 -3.208 -6.797 3.569 1.00 1.00 N ATOM 990 CA GLN A 61 -4.465 -6.245 4.060 1.00 1.00 C ATOM 991 C GLN A 61 -5.261 -5.596 2.938 1.00 1.00 C ATOM 992 O GLN A 61 -6.439 -5.299 3.100 1.00 1.00 O ATOM 993 CB GLN A 61 -4.254 -5.309 5.243 1.00 1.00 C ATOM 994 CG GLN A 61 -3.826 -6.083 6.477 1.00 1.00 C ATOM 995 CD GLN A 61 -3.483 -5.204 7.660 1.00 1.00 C ATOM 996 OE1 GLN A 61 -2.659 -5.559 8.491 1.00 1.00 O ATOM 997 NE2 GLN A 61 -4.111 -4.050 7.754 1.00 1.00 N ATOM 0 H GLN A 61 -2.375 -6.247 3.781 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.064 -7.076 4.433 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.496 -4.566 4.994 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -5.176 -4.766 5.451 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -4.627 -6.765 6.763 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -2.960 -6.696 6.228 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.793 -3.781 7.045 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -3.915 -3.425 8.536 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.623 -5.385 1.792 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.329 -4.868 0.640 1.00 1.00 C ATOM 1008 C ARG A 62 -6.183 -6.005 0.106 1.00 1.00 C ATOM 1009 O ARG A 62 -7.383 -5.869 -0.102 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.357 -4.398 -0.445 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.035 -4.016 -1.753 1.00 1.00 C ATOM 1012 CD ARG A 62 -4.046 -3.427 -2.769 1.00 1.00 C ATOM 1013 NE ARG A 62 -2.950 -4.349 -3.121 1.00 1.00 N ATOM 1014 CZ ARG A 62 -1.948 -4.036 -3.917 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -1.896 -2.869 -4.480 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -1.004 -4.900 -4.156 1.00 1.00 N ATOM 0 H ARG A 62 -3.630 -5.563 1.643 1.00 1.00 H new ATOM 0 HA ARG A 62 -5.934 -4.007 0.925 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -3.798 -3.540 -0.072 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.633 -5.190 -0.639 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -5.514 -4.896 -2.183 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.823 -3.290 -1.553 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -4.587 -3.154 -3.675 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -3.622 -2.509 -2.362 1.00 1.00 H new ATOM 0 HE ARG A 62 -2.969 -5.288 -2.723 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -2.634 -2.186 -4.308 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -1.117 -2.634 -5.095 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -1.038 -5.824 -3.726 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -0.230 -4.653 -4.773 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.535 -7.157 -0.046 1.00 1.00 N ATOM 1031 CA ARG A 63 -6.196 -8.355 -0.532 1.00 1.00 C ATOM 1032 C ARG A 63 -7.251 -8.820 0.477 1.00 1.00 C ATOM 1033 O ARG A 63 -8.303 -9.337 0.108 1.00 1.00 O ATOM 1034 CB ARG A 63 -5.154 -9.453 -0.786 1.00 1.00 C ATOM 1035 CG ARG A 63 -4.068 -9.028 -1.772 1.00 1.00 C ATOM 1036 CD ARG A 63 -2.998 -10.108 -1.986 1.00 1.00 C ATOM 1037 NE ARG A 63 -3.522 -11.304 -2.666 1.00 1.00 N ATOM 1038 CZ ARG A 63 -2.942 -11.913 -3.681 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -1.820 -11.480 -4.174 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -3.495 -12.972 -4.192 1.00 1.00 N ATOM 0 H ARG A 63 -4.545 -7.282 0.164 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.702 -8.135 -1.472 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.689 -9.731 0.160 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.656 -10.342 -1.168 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.529 -8.786 -2.730 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -3.591 -8.118 -1.409 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -2.180 -9.691 -2.573 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -2.582 -10.397 -1.021 1.00 1.00 H new ATOM 0 HE ARG A 63 -4.402 -11.691 -2.325 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -1.372 -10.655 -3.775 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -1.387 -11.965 -4.960 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -4.371 -13.326 -3.808 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -3.053 -13.449 -4.978 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.965 -8.614 1.757 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.895 -8.987 2.813 1.00 1.00 C ATOM 1056 C ARG A 64 -9.079 -8.001 2.877 1.00 1.00 C ATOM 1057 O ARG A 64 -10.219 -8.422 3.068 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.163 -9.078 4.155 1.00 1.00 C ATOM 1059 CG ARG A 64 -7.977 -9.721 5.271 1.00 1.00 C ATOM 1060 CD ARG A 64 -8.525 -11.099 4.873 1.00 1.00 C ATOM 1061 NE ARG A 64 -7.480 -11.998 4.350 1.00 1.00 N ATOM 1062 CZ ARG A 64 -7.701 -13.003 3.531 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -8.909 -13.325 3.184 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -6.695 -13.699 3.078 1.00 1.00 N ATOM 0 H ARG A 64 -6.098 -8.191 2.087 1.00 1.00 H new ATOM 0 HA ARG A 64 -8.306 -9.971 2.587 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.244 -9.648 4.017 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.872 -8.075 4.465 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -7.354 -9.823 6.160 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -8.806 -9.066 5.537 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -8.996 -11.562 5.740 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -9.301 -10.973 4.118 1.00 1.00 H new ATOM 0 HE ARG A 64 -6.518 -11.829 4.644 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -9.702 -12.796 3.547 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -9.066 -14.107 2.548 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -5.743 -13.463 3.359 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -6.860 -14.480 2.443 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.823 -6.696 2.701 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.921 -5.717 2.706 1.00 1.00 C ATOM 1080 C LEU A 65 -10.800 -5.917 1.465 1.00 1.00 C ATOM 1081 O LEU A 65 -12.006 -5.670 1.506 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.425 -4.262 2.776 1.00 1.00 C ATOM 1083 CG LEU A 65 -8.786 -3.845 4.111 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -8.390 -2.377 4.078 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -9.726 -4.104 5.281 1.00 1.00 C ATOM 0 H LEU A 65 -7.893 -6.302 2.557 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.505 -5.893 3.609 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.697 -4.106 1.980 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -10.266 -3.599 2.573 1.00 1.00 H new ATOM 0 HG LEU A 65 -7.892 -4.452 4.252 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -7.940 -2.100 5.031 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -7.671 -2.212 3.275 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -9.275 -1.765 3.904 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -9.244 -3.798 6.210 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -10.644 -3.533 5.144 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -9.964 -5.167 5.328 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.195 -6.375 0.359 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.960 -6.663 -0.858 1.00 1.00 C ATOM 1099 C LEU A 66 -12.007 -7.729 -0.539 1.00 1.00 C ATOM 1100 O LEU A 66 -13.130 -7.683 -1.024 1.00 1.00 O ATOM 1101 CB LEU A 66 -10.063 -7.178 -1.996 1.00 1.00 C ATOM 1102 CG LEU A 66 -9.032 -6.191 -2.554 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -8.240 -6.840 -3.681 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.702 -4.918 -3.049 1.00 1.00 C ATOM 0 H LEU A 66 -9.193 -6.551 0.284 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.426 -5.735 -1.190 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -9.532 -8.061 -1.639 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.704 -7.502 -2.816 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.350 -5.922 -1.747 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -7.511 -6.129 -4.069 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -7.722 -7.721 -3.301 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -8.920 -7.136 -4.480 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -8.946 -4.237 -3.439 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -10.411 -5.164 -3.839 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -10.230 -4.440 -2.224 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.624 -8.679 0.313 1.00 1.00 N ATOM 1117 CA ARG A 67 -12.523 -9.753 0.718 1.00 1.00 C ATOM 1118 C ARG A 67 -13.657 -9.230 1.597 1.00 1.00 C ATOM 1119 O ARG A 67 -14.800 -9.659 1.464 1.00 1.00 O ATOM 1120 CB ARG A 67 -11.764 -10.838 1.480 1.00 1.00 C ATOM 1121 CG ARG A 67 -10.737 -11.569 0.637 1.00 1.00 C ATOM 1122 CD ARG A 67 -11.378 -12.221 -0.586 1.00 1.00 C ATOM 1123 NE ARG A 67 -10.441 -13.091 -1.300 1.00 1.00 N ATOM 1124 CZ ARG A 67 -10.620 -13.524 -2.523 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -11.607 -13.094 -3.242 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -9.769 -14.362 -3.030 1.00 1.00 N ATOM 0 H ARG A 67 -10.697 -8.725 0.735 1.00 1.00 H new ATOM 0 HA ARG A 67 -12.947 -10.175 -0.193 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -11.263 -10.386 2.336 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -12.479 -11.561 1.874 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -9.965 -10.870 0.315 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -10.245 -12.331 1.241 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -12.246 -12.802 -0.274 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -11.740 -11.446 -1.262 1.00 1.00 H new ATOM 0 HE ARG A 67 -9.593 -13.379 -0.812 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -12.258 -12.409 -2.857 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -11.734 -13.440 -4.193 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -8.972 -14.676 -2.477 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -9.898 -14.707 -3.981 1.00 1.00 H new ATOM 1140 N TYR A 68 -13.347 -8.303 2.497 1.00 1.00 N ATOM 1141 CA TYR A 68 -14.375 -7.751 3.375 1.00 1.00 C ATOM 1142 C TYR A 68 -15.351 -6.874 2.591 1.00 1.00 C ATOM 1143 O TYR A 68 -16.553 -6.921 2.828 1.00 1.00 O ATOM 1144 CB TYR A 68 -13.774 -6.948 4.526 1.00 1.00 C ATOM 1145 CG TYR A 68 -12.962 -7.769 5.500 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -13.494 -8.895 6.122 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -11.658 -7.411 5.797 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -12.748 -9.624 7.029 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -10.907 -8.135 6.697 1.00 1.00 C ATOM 1150 CZ TYR A 68 -11.450 -9.244 7.304 1.00 1.00 C ATOM 1151 OH TYR A 68 -10.698 -9.958 8.204 1.00 1.00 O ATOM 0 H TYR A 68 -12.411 -7.923 2.638 1.00 1.00 H new ATOM 0 HA TYR A 68 -14.914 -8.599 3.798 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -13.140 -6.163 4.114 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -14.580 -6.454 5.069 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -14.503 -9.203 5.893 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -11.222 -6.549 5.315 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -13.178 -10.485 7.519 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -9.896 -7.833 6.925 1.00 1.00 H new ATOM 0 HH TYR A 68 -9.808 -9.555 8.279 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.846 -6.080 1.648 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.737 -5.241 0.851 1.00 1.00 C ATOM 1163 C LEU A 69 -16.503 -6.107 -0.165 1.00 1.00 C ATOM 1164 O LEU A 69 -17.625 -5.788 -0.545 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.991 -4.062 0.191 1.00 1.00 C ATOM 1166 CG LEU A 69 -13.831 -4.393 -0.765 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -14.330 -4.689 -2.176 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -12.839 -3.233 -0.790 1.00 1.00 C ATOM 0 H LEU A 69 -13.855 -6.000 1.422 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.469 -4.783 1.517 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -15.721 -3.470 -0.361 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.600 -3.426 0.985 1.00 1.00 H new ATOM 0 HG LEU A 69 -13.335 -5.291 -0.397 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -13.482 -4.918 -2.821 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -15.008 -5.542 -2.151 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -14.857 -3.818 -2.566 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -12.019 -3.470 -1.468 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -13.344 -2.330 -1.133 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -12.445 -3.069 0.213 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.882 -7.215 -0.577 1.00 1.00 N ATOM 1181 CA GLN A 70 -16.509 -8.182 -1.491 1.00 1.00 C ATOM 1182 C GLN A 70 -17.706 -8.817 -0.810 1.00 1.00 C ATOM 1183 O GLN A 70 -18.764 -9.025 -1.400 1.00 1.00 O ATOM 1184 CB GLN A 70 -15.513 -9.297 -1.821 1.00 1.00 C ATOM 1185 CG GLN A 70 -16.051 -10.361 -2.765 1.00 1.00 C ATOM 1186 CD GLN A 70 -15.129 -11.560 -2.885 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -13.916 -11.460 -2.730 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -15.701 -12.714 -3.166 1.00 1.00 N ATOM 0 H GLN A 70 -14.937 -7.469 -0.291 1.00 1.00 H new ATOM 0 HA GLN A 70 -16.814 -7.662 -2.399 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -14.622 -8.852 -2.264 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -15.202 -9.776 -0.893 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -17.028 -10.693 -2.412 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -16.200 -9.923 -3.752 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -16.712 -12.765 -3.289 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -15.132 -13.556 -3.260 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.493 -9.130 0.447 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.494 -9.751 1.279 1.00 1.00 C ATOM 1199 C ARG A 71 -19.696 -8.844 1.514 1.00 1.00 C ATOM 1200 O ARG A 71 -20.839 -9.283 1.442 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.875 -10.082 2.627 1.00 1.00 C ATOM 1202 CG ARG A 71 -18.795 -10.884 3.519 1.00 1.00 C ATOM 1203 CD ARG A 71 -18.289 -10.916 4.949 1.00 1.00 C ATOM 1204 NE ARG A 71 -19.100 -11.782 5.807 1.00 1.00 N ATOM 1205 CZ ARG A 71 -19.949 -11.356 6.716 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -20.325 -10.114 6.762 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -20.485 -12.212 7.530 1.00 1.00 N ATOM 0 H ARG A 71 -16.609 -8.958 0.925 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.841 -10.647 0.764 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -16.953 -10.641 2.470 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.604 -9.156 3.133 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -19.795 -10.452 3.495 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -18.878 -11.902 3.138 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -17.256 -11.264 4.959 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -18.289 -9.904 5.355 1.00 1.00 H new ATOM 0 HE ARG A 71 -18.999 -12.790 5.691 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -19.961 -9.445 6.083 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -20.985 -9.807 7.477 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -20.246 -13.201 7.460 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -21.145 -11.896 8.240 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.431 -7.568 1.748 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.509 -6.628 2.062 1.00 1.00 C ATOM 1223 C GLU A 72 -21.179 -6.049 0.812 1.00 1.00 C ATOM 1224 O GLU A 72 -22.051 -5.180 0.905 1.00 1.00 O ATOM 1225 CB GLU A 72 -19.985 -5.528 2.979 1.00 1.00 C ATOM 1226 CG GLU A 72 -19.407 -6.068 4.282 1.00 1.00 C ATOM 1227 CD GLU A 72 -20.392 -6.927 5.060 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -21.236 -6.358 5.782 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -20.306 -8.174 4.967 1.00 1.00 O ATOM 0 H GLU A 72 -18.497 -7.159 1.728 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.289 -7.183 2.583 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -19.217 -4.960 2.454 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.795 -4.835 3.206 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -18.516 -6.656 4.061 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -19.091 -5.232 4.906 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.756 -6.548 -0.341 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.296 -6.174 -1.643 1.00 1.00 C ATOM 1238 C ASP A 73 -20.445 -6.826 -2.728 1.00 1.00 C ATOM 1239 O ASP A 73 -19.316 -6.402 -3.000 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.351 -4.664 -1.855 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.180 -4.311 -3.066 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -21.674 -4.474 -4.192 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -23.331 -3.875 -2.891 1.00 1.00 O ATOM 0 H ASP A 73 -20.010 -7.241 -0.400 1.00 1.00 H new ATOM 0 HA ASP A 73 -22.326 -6.527 -1.692 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -21.772 -4.185 -0.971 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.340 -4.275 -1.977 1.00 1.00 H new ATOM 1248 N PRO A 74 -20.970 -7.872 -3.372 1.00 1.00 N ATOM 1249 CA PRO A 74 -20.228 -8.600 -4.399 1.00 1.00 C ATOM 1250 C PRO A 74 -20.021 -7.795 -5.684 1.00 1.00 C ATOM 1251 O PRO A 74 -19.125 -8.096 -6.475 1.00 1.00 O ATOM 1252 CB PRO A 74 -21.101 -9.824 -4.665 1.00 1.00 C ATOM 1253 CG PRO A 74 -22.482 -9.412 -4.277 1.00 1.00 C ATOM 1254 CD PRO A 74 -22.331 -8.400 -3.173 1.00 1.00 C ATOM 0 HA PRO A 74 -19.218 -8.838 -4.066 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -21.058 -10.118 -5.714 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -20.767 -10.681 -4.080 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -23.012 -8.983 -5.127 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -23.063 -10.271 -3.940 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.081 -7.613 -3.245 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -22.444 -8.858 -2.191 1.00 1.00 H new ATOM 1262 N GLU A 75 -20.829 -6.765 -5.879 1.00 1.00 N ATOM 1263 CA GLU A 75 -20.721 -5.929 -7.071 1.00 1.00 C ATOM 1264 C GLU A 75 -19.591 -4.933 -6.885 1.00 1.00 C ATOM 1265 O GLU A 75 -18.811 -4.649 -7.797 1.00 1.00 O ATOM 1266 CB GLU A 75 -22.023 -5.176 -7.316 1.00 1.00 C ATOM 1267 CG GLU A 75 -23.244 -6.066 -7.438 1.00 1.00 C ATOM 1268 CD GLU A 75 -24.489 -5.270 -7.775 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -25.075 -4.665 -6.857 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -24.876 -5.250 -8.963 1.00 1.00 O ATOM 0 H GLU A 75 -21.566 -6.486 -5.231 1.00 1.00 H new ATOM 0 HA GLU A 75 -20.518 -6.567 -7.931 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -22.181 -4.472 -6.499 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -21.923 -4.588 -8.229 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -23.072 -6.816 -8.210 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -23.398 -6.602 -6.502 1.00 1.00 H new ATOM 1277 N ARG A 76 -19.524 -4.418 -5.674 1.00 1.00 N ATOM 1278 CA ARG A 76 -18.506 -3.472 -5.268 1.00 1.00 C ATOM 1279 C ARG A 76 -17.109 -4.062 -5.465 1.00 1.00 C ATOM 1280 O ARG A 76 -16.188 -3.364 -5.868 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.720 -3.138 -3.802 1.00 1.00 C ATOM 1282 CG ARG A 76 -17.839 -2.033 -3.267 1.00 1.00 C ATOM 1283 CD ARG A 76 -18.135 -1.798 -1.790 1.00 1.00 C ATOM 1284 NE ARG A 76 -19.548 -1.461 -1.557 1.00 1.00 N ATOM 1285 CZ ARG A 76 -20.104 -1.367 -0.376 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -19.376 -1.372 0.698 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.394 -1.217 -0.276 1.00 1.00 N ATOM 0 H ARG A 76 -20.186 -4.649 -4.933 1.00 1.00 H new ATOM 0 HA ARG A 76 -18.582 -2.572 -5.879 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -19.762 -2.854 -3.657 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -18.549 -4.038 -3.211 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -16.790 -2.298 -3.398 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -18.009 -1.116 -3.831 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -17.877 -2.692 -1.222 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -17.504 -0.991 -1.418 1.00 1.00 H new ATOM 0 HE ARG A 76 -20.135 -1.289 -2.373 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -18.362 -1.450 0.626 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -19.818 -1.298 1.614 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -21.969 -1.173 -1.117 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -21.829 -1.144 0.644 1.00 1.00 H new ATOM 1301 N TYR A 77 -16.976 -5.358 -5.186 1.00 1.00 N ATOM 1302 CA TYR A 77 -15.695 -6.053 -5.354 1.00 1.00 C ATOM 1303 C TYR A 77 -15.208 -5.864 -6.774 1.00 1.00 C ATOM 1304 O TYR A 77 -14.101 -5.392 -7.029 1.00 1.00 O ATOM 1305 CB TYR A 77 -15.868 -7.565 -5.123 1.00 1.00 C ATOM 1306 CG TYR A 77 -14.611 -8.376 -5.387 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -13.496 -8.240 -4.572 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -14.542 -9.278 -6.447 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -12.347 -8.974 -4.805 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -13.395 -10.015 -6.683 1.00 1.00 C ATOM 1311 CZ TYR A 77 -12.303 -9.859 -5.862 1.00 1.00 C ATOM 1312 OH TYR A 77 -11.164 -10.591 -6.104 1.00 1.00 O ATOM 0 H TYR A 77 -17.734 -5.948 -4.844 1.00 1.00 H new ATOM 0 HA TYR A 77 -14.986 -5.643 -4.634 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -16.186 -7.731 -4.094 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -16.667 -7.932 -5.767 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -13.526 -7.550 -3.742 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -15.397 -9.404 -7.094 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -11.488 -8.855 -4.162 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -13.358 -10.710 -7.509 1.00 1.00 H new ATOM 0 HH TYR A 77 -11.304 -11.166 -6.885 1.00 1.00 H new ATOM 1322 N ARG A 78 -16.113 -6.186 -7.681 1.00 1.00 N ATOM 1323 CA ARG A 78 -15.871 -6.147 -9.098 1.00 1.00 C ATOM 1324 C ARG A 78 -15.493 -4.769 -9.599 1.00 1.00 C ATOM 1325 O ARG A 78 -14.462 -4.593 -10.233 1.00 1.00 O ATOM 1326 CB ARG A 78 -17.134 -6.594 -9.828 1.00 1.00 C ATOM 1327 CG ARG A 78 -17.703 -7.922 -9.345 1.00 1.00 C ATOM 1328 CD ARG A 78 -16.734 -9.076 -9.581 1.00 1.00 C ATOM 1329 NE ARG A 78 -17.227 -10.334 -9.006 1.00 1.00 N ATOM 1330 CZ ARG A 78 -16.739 -11.518 -9.282 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -15.780 -11.651 -10.145 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -17.232 -12.572 -8.698 1.00 1.00 N ATOM 0 H ARG A 78 -17.057 -6.488 -7.439 1.00 1.00 H new ATOM 0 HA ARG A 78 -15.030 -6.812 -9.296 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -17.896 -5.823 -9.715 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -16.915 -6.672 -10.893 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -17.933 -7.853 -8.282 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -18.641 -8.124 -9.862 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -16.576 -9.204 -10.652 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -15.766 -8.832 -9.143 1.00 1.00 H new ATOM 0 HE ARG A 78 -18.003 -10.282 -8.346 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -15.399 -10.830 -10.615 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -15.406 -12.577 -10.354 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -17.995 -12.474 -8.028 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -16.855 -13.496 -8.910 1.00 1.00 H new ATOM 1346 N ALA A 79 -16.302 -3.779 -9.283 1.00 1.00 N ATOM 1347 CA ALA A 79 -16.037 -2.457 -9.806 1.00 1.00 C ATOM 1348 C ALA A 79 -14.960 -1.705 -9.038 1.00 1.00 C ATOM 1349 O ALA A 79 -14.349 -0.792 -9.571 1.00 1.00 O ATOM 1350 CB ALA A 79 -17.311 -1.654 -9.926 1.00 1.00 C ATOM 0 H ALA A 79 -17.124 -3.859 -8.685 1.00 1.00 H new ATOM 0 HA ALA A 79 -15.631 -2.599 -10.808 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -17.082 -0.665 -10.322 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -18.000 -2.163 -10.600 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -17.772 -1.554 -8.943 1.00 1.00 H new ATOM 1356 N LEU A 80 -14.700 -2.073 -7.799 1.00 1.00 N ATOM 1357 CA LEU A 80 -13.648 -1.396 -7.072 1.00 1.00 C ATOM 1358 C LEU A 80 -12.292 -1.957 -7.513 1.00 1.00 C ATOM 1359 O LEU A 80 -11.288 -1.251 -7.494 1.00 1.00 O ATOM 1360 CB LEU A 80 -13.881 -1.495 -5.559 1.00 1.00 C ATOM 1361 CG LEU A 80 -12.770 -0.984 -4.628 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -13.384 -0.494 -3.328 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -11.765 -2.082 -4.326 1.00 1.00 C ATOM 0 H LEU A 80 -15.185 -2.812 -7.289 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.655 -0.331 -7.304 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.793 -0.947 -5.324 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -14.066 -2.541 -5.316 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.251 -0.167 -5.129 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -12.596 -0.132 -2.667 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -14.083 0.316 -3.538 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -13.914 -1.314 -2.844 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -10.990 -1.694 -3.665 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -12.272 -2.916 -3.840 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -11.311 -2.426 -5.256 1.00 1.00 H new ATOM 1375 N ILE A 81 -12.261 -3.200 -7.991 1.00 1.00 N ATOM 1376 CA ILE A 81 -10.985 -3.740 -8.443 1.00 1.00 C ATOM 1377 C ILE A 81 -10.690 -3.179 -9.821 1.00 1.00 C ATOM 1378 O ILE A 81 -9.544 -2.927 -10.189 1.00 1.00 O ATOM 1379 CB ILE A 81 -10.884 -5.292 -8.384 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -11.958 -6.047 -9.193 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -10.961 -5.710 -6.929 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -11.656 -6.190 -10.671 1.00 1.00 C ATOM 0 H ILE A 81 -13.063 -3.824 -8.073 1.00 1.00 H new ATOM 0 HA ILE A 81 -10.214 -3.419 -7.742 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.936 -5.563 -8.848 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -12.084 -7.041 -8.764 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -12.910 -5.528 -9.079 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.893 -6.796 -6.858 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.138 -5.258 -6.376 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.908 -5.378 -6.505 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -12.466 -6.734 -11.157 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.562 -5.201 -11.120 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -10.723 -6.738 -10.800 1.00 1.00 H new ATOM 1394 N GLU A 82 -11.757 -2.941 -10.551 1.00 1.00 N ATOM 1395 CA GLU A 82 -11.687 -2.334 -11.858 1.00 1.00 C ATOM 1396 C GLU A 82 -11.326 -0.843 -11.734 1.00 1.00 C ATOM 1397 O GLU A 82 -10.419 -0.354 -12.392 1.00 1.00 O ATOM 1398 CB GLU A 82 -13.052 -2.492 -12.537 1.00 1.00 C ATOM 1399 CG GLU A 82 -13.166 -1.840 -13.905 1.00 1.00 C ATOM 1400 CD GLU A 82 -12.146 -2.370 -14.898 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -12.377 -3.459 -15.466 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -11.113 -1.705 -15.104 1.00 1.00 O ATOM 0 H GLU A 82 -12.705 -3.166 -10.250 1.00 1.00 H new ATOM 0 HA GLU A 82 -10.915 -2.822 -12.453 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -13.270 -3.555 -12.638 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -13.817 -2.070 -11.885 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -14.169 -2.005 -14.299 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -13.038 -0.763 -13.800 1.00 1.00 H new ATOM 1409 N LYS A 83 -11.981 -0.153 -10.809 1.00 1.00 N ATOM 1410 CA LYS A 83 -11.776 1.287 -10.647 1.00 1.00 C ATOM 1411 C LYS A 83 -10.467 1.653 -9.919 1.00 1.00 C ATOM 1412 O LYS A 83 -9.962 2.760 -10.083 1.00 1.00 O ATOM 1413 CB LYS A 83 -13.000 1.901 -9.972 1.00 1.00 C ATOM 1414 CG LYS A 83 -13.182 3.377 -10.275 1.00 1.00 C ATOM 1415 CD LYS A 83 -14.583 3.858 -9.915 1.00 1.00 C ATOM 1416 CE LYS A 83 -14.804 3.915 -8.411 1.00 1.00 C ATOM 1417 NZ LYS A 83 -13.972 4.969 -7.777 1.00 1.00 N ATOM 0 H LYS A 83 -12.655 -0.561 -10.162 1.00 1.00 H new ATOM 0 HA LYS A 83 -11.661 1.714 -11.643 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -13.891 1.360 -10.291 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.916 1.767 -8.894 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.444 3.956 -9.719 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.996 3.557 -11.334 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.746 4.848 -10.342 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -15.320 3.192 -10.364 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -15.857 4.108 -8.204 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -14.565 2.947 -7.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.444 5.312 -6.916 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -13.042 4.575 -7.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -13.847 5.759 -8.442 1.00 1.00 H new ATOM 1431 N LEU A 84 -9.928 0.764 -9.090 1.00 1.00 N ATOM 1432 CA LEU A 84 -8.638 1.057 -8.451 1.00 1.00 C ATOM 1433 C LEU A 84 -7.497 0.632 -9.370 1.00 1.00 C ATOM 1434 O LEU A 84 -6.396 1.168 -9.306 1.00 1.00 O ATOM 1435 CB LEU A 84 -8.481 0.361 -7.102 1.00 1.00 C ATOM 1436 CG LEU A 84 -9.302 0.952 -5.957 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -9.037 0.178 -4.682 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -8.973 2.424 -5.752 1.00 1.00 C ATOM 0 H LEU A 84 -10.342 -0.136 -8.847 1.00 1.00 H new ATOM 0 HA LEU A 84 -8.607 2.132 -8.274 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.756 -0.687 -7.220 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -7.428 0.385 -6.821 1.00 1.00 H new ATOM 0 HG LEU A 84 -10.358 0.873 -6.215 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -9.625 0.604 -3.869 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -9.318 -0.866 -4.825 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.977 0.238 -4.433 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -9.571 2.820 -4.931 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -7.915 2.531 -5.514 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -9.197 2.977 -6.664 1.00 1.00 H new ATOM 1450 N GLY A 85 -7.761 -0.344 -10.220 1.00 1.00 N ATOM 1451 CA GLY A 85 -6.741 -0.793 -11.141 1.00 1.00 C ATOM 1452 C GLY A 85 -6.060 -2.064 -10.696 1.00 1.00 C ATOM 1453 O GLY A 85 -4.841 -2.170 -10.667 1.00 1.00 O ATOM 0 H GLY A 85 -8.655 -0.830 -10.290 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -7.190 -0.952 -12.121 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -5.993 -0.008 -11.256 1.00 1.00 H new ATOM 1457 N ILE A 86 -6.865 -3.017 -10.295 1.00 1.00 N ATOM 1458 CA ILE A 86 -6.372 -4.306 -9.895 1.00 1.00 C ATOM 1459 C ILE A 86 -6.351 -5.199 -11.173 1.00 1.00 C ATOM 1460 O ILE A 86 -5.617 -6.180 -11.286 1.00 1.00 O ATOM 1461 CB ILE A 86 -7.289 -4.893 -8.788 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -6.739 -4.575 -7.376 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -7.526 -6.385 -8.954 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -6.749 -3.094 -7.027 1.00 1.00 C ATOM 0 H ILE A 86 -7.879 -2.918 -10.238 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.368 -4.247 -9.475 1.00 1.00 H new ATOM 0 HB ILE A 86 -8.257 -4.405 -8.898 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -7.330 -5.116 -6.637 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -5.718 -4.948 -7.303 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -8.173 -6.742 -8.153 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -8.002 -6.573 -9.916 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -6.573 -6.912 -8.912 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.349 -2.954 -6.023 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.134 -2.548 -7.742 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.771 -2.718 -7.066 1.00 1.00 H new ATOM 1476 N ARG A 87 -7.153 -4.770 -12.191 1.00 1.00 N ATOM 1477 CA ARG A 87 -7.268 -5.452 -13.509 1.00 1.00 C ATOM 1478 C ARG A 87 -5.943 -5.337 -14.227 1.00 1.00 C ATOM 1479 O ARG A 87 -5.585 -6.065 -15.170 1.00 1.00 O ATOM 1480 CB ARG A 87 -8.394 -4.809 -14.324 1.00 1.00 C ATOM 1481 CG ARG A 87 -9.770 -5.169 -13.792 1.00 1.00 C ATOM 1482 CD ARG A 87 -10.062 -6.653 -14.008 1.00 1.00 C ATOM 1483 NE ARG A 87 -9.915 -7.044 -15.423 1.00 1.00 N ATOM 1484 CZ ARG A 87 -9.930 -8.283 -15.855 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -10.144 -9.264 -15.039 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -9.742 -8.528 -17.119 1.00 1.00 N ATOM 0 H ARG A 87 -7.739 -3.938 -12.117 1.00 1.00 H new ATOM 0 HA ARG A 87 -7.510 -6.506 -13.375 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -8.275 -3.726 -14.312 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -8.314 -5.127 -15.363 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -9.828 -4.933 -12.729 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -10.528 -4.567 -14.294 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -9.386 -7.249 -13.395 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -11.075 -6.876 -13.673 1.00 1.00 H new ATOM 0 HE ARG A 87 -9.794 -6.301 -16.112 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -10.303 -9.078 -14.049 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -10.153 -10.223 -15.386 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -9.584 -7.759 -17.770 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -9.753 -9.490 -17.459 1.00 1.00 H new ATOM 1500 N GLY A 88 -5.340 -4.263 -13.751 1.00 1.00 N ATOM 1501 CA GLY A 88 -3.968 -3.849 -14.035 1.00 1.00 C ATOM 1502 C GLY A 88 -3.757 -2.364 -14.073 1.00 1.00 C ATOM 1503 O GLY A 88 -4.738 -1.601 -14.207 1.00 1.00 O ATOM 1504 OXT GLY A 88 -2.575 -2.021 -14.075 1.00 1.00 O ATOM 0 H GLY A 88 -5.816 -3.617 -13.121 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -3.310 -4.277 -13.279 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -3.667 -4.270 -14.994 1.00 1.00 H new