USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 413 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 25 THR OG1 : rot -88:sc= -0.0164 USER MOD Set 1.2: A 28 GLN : amide:sc= 1.85 K(o=1.8,f=-0.69) USER MOD Single : A 23 THR OG1 : rot -32:sc= 0.112 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.674 F(o=-1.7,f=-0.67) USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= 1.13 (180deg=-0.286) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.624 USER MOD Single : A 40 SER OG : rot 3:sc= 0.731 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 150:sc= -1.51 (180deg=-3.53!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.000247) USER MOD Single : A 62 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -3.49! C(o=-3.5!,f=-3.6!) USER MOD Single : A 68 THR OG1 : rot 91:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 23 10.591 -6.501 -9.557 1.00 0.00 N ATOM 302 CA THR A 23 9.687 -5.478 -10.066 1.00 0.00 C ATOM 303 C THR A 23 8.302 -5.610 -9.443 1.00 0.00 C ATOM 304 O THR A 23 8.056 -6.510 -8.640 1.00 0.00 O ATOM 305 CB THR A 23 9.557 -5.553 -11.598 1.00 0.00 C ATOM 306 OG1 THR A 23 9.162 -6.872 -11.992 1.00 0.00 O ATOM 307 CG2 THR A 23 10.872 -5.190 -12.271 1.00 0.00 C ATOM 0 HA THR A 23 10.116 -4.514 -9.793 1.00 0.00 H new ATOM 0 HB THR A 23 8.797 -4.837 -11.912 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.529 -7.526 -11.361 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.756 -5.250 -13.353 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.155 -4.175 -11.992 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.649 -5.884 -11.951 1.00 0.00 H new ATOM 315 N ILE A 24 7.401 -4.708 -9.818 1.00 0.00 N ATOM 316 CA ILE A 24 6.040 -4.726 -9.297 1.00 0.00 C ATOM 317 C ILE A 24 5.019 -4.603 -10.422 1.00 0.00 C ATOM 318 O ILE A 24 5.316 -4.069 -11.491 1.00 0.00 O ATOM 319 CB ILE A 24 5.810 -3.589 -8.284 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.861 -3.646 -7.173 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.408 -3.676 -7.699 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.731 -2.529 -6.161 1.00 0.00 C ATOM 0 H ILE A 24 7.589 -3.956 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 24 5.908 -5.683 -8.793 1.00 0.00 H new ATOM 0 HB ILE A 24 5.908 -2.635 -8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.782 -4.603 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.854 -3.606 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.261 -2.866 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.674 -3.592 -8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.284 -4.633 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.508 -2.632 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.840 -1.568 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.751 -2.581 -5.686 1.00 0.00 H new ATOM 334 N THR A 25 3.810 -5.100 -10.175 1.00 0.00 N ATOM 335 CA THR A 25 2.744 -5.046 -11.167 1.00 0.00 C ATOM 336 C THR A 25 1.692 -4.010 -10.786 1.00 0.00 C ATOM 337 O THR A 25 1.517 -3.668 -9.616 1.00 0.00 O ATOM 338 CB THR A 25 2.062 -6.417 -11.334 1.00 0.00 C ATOM 339 OG1 THR A 25 1.774 -6.980 -10.049 1.00 0.00 O ATOM 340 CG2 THR A 25 2.947 -7.368 -12.124 1.00 0.00 C ATOM 0 H THR A 25 3.546 -5.544 -9.296 1.00 0.00 H new ATOM 0 HA THR A 25 3.205 -4.761 -12.113 1.00 0.00 H new ATOM 0 HB THR A 25 1.132 -6.272 -11.883 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.547 -7.495 -9.737 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.445 -8.330 -12.229 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.140 -6.949 -13.112 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.891 -7.508 -11.598 1.00 0.00 H new ATOM 348 N PRO A 26 0.972 -3.498 -11.796 1.00 0.00 N ATOM 349 CA PRO A 26 -0.077 -2.495 -11.591 1.00 0.00 C ATOM 350 C PRO A 26 -1.299 -3.070 -10.882 1.00 0.00 C ATOM 351 O PRO A 26 -2.150 -2.328 -10.393 1.00 0.00 O ATOM 352 CB PRO A 26 -0.439 -2.064 -13.014 1.00 0.00 C ATOM 353 CG PRO A 26 -0.073 -3.230 -13.867 1.00 0.00 C ATOM 354 CD PRO A 26 1.126 -3.860 -13.215 1.00 0.00 C ATOM 0 HA PRO A 26 0.261 -1.676 -10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.500 -1.829 -13.099 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.110 -1.170 -13.309 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.898 -3.939 -13.934 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.158 -2.912 -14.884 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.138 -4.941 -13.355 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.058 -3.475 -13.629 1.00 0.00 H new ATOM 362 N GLU A 27 -1.377 -4.396 -10.830 1.00 0.00 N ATOM 363 CA GLU A 27 -2.496 -5.069 -10.180 1.00 0.00 C ATOM 364 C GLU A 27 -2.148 -5.438 -8.741 1.00 0.00 C ATOM 365 O GLU A 27 -3.033 -5.646 -7.912 1.00 0.00 O ATOM 366 CB GLU A 27 -2.886 -6.326 -10.960 1.00 0.00 C ATOM 367 CG GLU A 27 -3.862 -6.061 -12.094 1.00 0.00 C ATOM 368 CD GLU A 27 -5.309 -6.187 -11.660 1.00 0.00 C ATOM 369 OE1 GLU A 27 -5.659 -5.633 -10.597 1.00 0.00 O ATOM 370 OE2 GLU A 27 -6.092 -6.838 -12.383 1.00 0.00 O ATOM 0 H GLU A 27 -0.680 -5.025 -11.229 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.342 -4.381 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.985 -6.785 -11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.328 -7.047 -10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.691 -5.060 -12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.668 -6.761 -12.906 1.00 0.00 H new ATOM 377 N GLN A 28 -0.852 -5.517 -8.453 1.00 0.00 N ATOM 378 CA GLN A 28 -0.387 -5.861 -7.115 1.00 0.00 C ATOM 379 C GLN A 28 -0.286 -4.619 -6.237 1.00 0.00 C ATOM 380 O GLN A 28 -0.599 -4.660 -5.046 1.00 0.00 O ATOM 381 CB GLN A 28 0.972 -6.560 -7.189 1.00 0.00 C ATOM 382 CG GLN A 28 0.875 -8.052 -7.462 1.00 0.00 C ATOM 383 CD GLN A 28 2.234 -8.714 -7.574 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.961 -8.506 -8.546 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.586 -9.518 -6.577 1.00 0.00 N ATOM 0 H GLN A 28 -0.107 -5.347 -9.128 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.114 -6.540 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.569 -6.094 -7.973 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.503 -6.405 -6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.308 -8.528 -6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.319 -8.213 -8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.953 -9.662 -5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.489 -9.991 -6.598 1.00 0.00 H new ATOM 394 N LEU A 29 0.153 -3.515 -6.831 1.00 0.00 N ATOM 395 CA LEU A 29 0.296 -2.259 -6.102 1.00 0.00 C ATOM 396 C LEU A 29 -0.990 -1.912 -5.358 1.00 0.00 C ATOM 397 O LEU A 29 -0.979 -1.707 -4.145 1.00 0.00 O ATOM 398 CB LEU A 29 0.662 -1.127 -7.064 1.00 0.00 C ATOM 399 CG LEU A 29 2.153 -0.951 -7.356 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.356 -0.212 -8.669 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.836 -0.211 -6.214 1.00 0.00 C ATOM 0 H LEU A 29 0.416 -3.464 -7.815 1.00 0.00 H new ATOM 0 HA LEU A 29 1.096 -2.381 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.145 -1.298 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.279 -0.192 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 29 2.606 -1.939 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.423 -0.096 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.902 -0.780 -9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.889 0.771 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.896 -0.095 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.381 0.772 -6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.721 -0.780 -5.291 1.00 0.00 H new ATOM 413 N GLU A 30 -2.095 -1.851 -6.093 1.00 0.00 N ATOM 414 CA GLU A 30 -3.389 -1.530 -5.501 1.00 0.00 C ATOM 415 C GLU A 30 -3.495 -2.096 -4.088 1.00 0.00 C ATOM 416 O GLU A 30 -3.807 -1.373 -3.141 1.00 0.00 O ATOM 417 CB GLU A 30 -4.522 -2.080 -6.370 1.00 0.00 C ATOM 418 CG GLU A 30 -4.281 -1.918 -7.861 1.00 0.00 C ATOM 419 CD GLU A 30 -5.569 -1.858 -8.658 1.00 0.00 C ATOM 420 OE1 GLU A 30 -6.507 -1.162 -8.216 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.640 -2.508 -9.722 1.00 0.00 O ATOM 0 H GLU A 30 -2.121 -2.019 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.477 -0.445 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.659 -3.138 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.450 -1.575 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.708 -1.008 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.675 -2.750 -8.220 1.00 0.00 H new ATOM 428 N ILE A 31 -3.235 -3.392 -3.955 1.00 0.00 N ATOM 429 CA ILE A 31 -3.301 -4.055 -2.658 1.00 0.00 C ATOM 430 C ILE A 31 -2.343 -3.410 -1.662 1.00 0.00 C ATOM 431 O ILE A 31 -2.695 -3.182 -0.504 1.00 0.00 O ATOM 432 CB ILE A 31 -2.970 -5.554 -2.775 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.833 -6.207 -3.857 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.176 -6.248 -1.436 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.160 -7.373 -4.545 1.00 0.00 C ATOM 0 H ILE A 31 -2.977 -4.004 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.324 -3.944 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.923 -5.658 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.766 -6.549 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.094 -5.457 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.938 -7.307 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.523 -5.798 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.215 -6.137 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.830 -7.786 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.241 -7.033 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.923 -8.142 -3.810 1.00 0.00 H new ATOM 447 N LEU A 32 -1.131 -3.117 -2.120 1.00 0.00 N ATOM 448 CA LEU A 32 -0.121 -2.496 -1.270 1.00 0.00 C ATOM 449 C LEU A 32 -0.563 -1.105 -0.827 1.00 0.00 C ATOM 450 O LEU A 32 -0.450 -0.751 0.347 1.00 0.00 O ATOM 451 CB LEU A 32 1.214 -2.408 -2.011 1.00 0.00 C ATOM 452 CG LEU A 32 1.713 -3.704 -2.651 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.968 -3.446 -3.470 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.976 -4.759 -1.586 1.00 0.00 C ATOM 0 H LEU A 32 -0.824 -3.299 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 32 0.004 -3.117 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.125 -1.652 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.972 -2.056 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 32 0.938 -4.078 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.309 -4.380 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.747 -2.725 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.749 -3.048 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.330 -5.674 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.732 -4.394 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.054 -4.965 -1.043 1.00 0.00 H new ATOM 466 N TYR A 33 -1.068 -0.322 -1.773 1.00 0.00 N ATOM 467 CA TYR A 33 -1.527 1.031 -1.481 1.00 0.00 C ATOM 468 C TYR A 33 -2.670 1.012 -0.471 1.00 0.00 C ATOM 469 O TYR A 33 -2.684 1.792 0.481 1.00 0.00 O ATOM 470 CB TYR A 33 -1.978 1.728 -2.766 1.00 0.00 C ATOM 471 CG TYR A 33 -0.837 2.292 -3.581 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.001 3.272 -3.058 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.594 1.847 -4.875 1.00 0.00 C ATOM 474 CE1 TYR A 33 1.043 3.791 -3.800 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.448 2.359 -5.623 1.00 0.00 C ATOM 476 CZ TYR A 33 1.263 3.331 -5.082 1.00 0.00 C ATOM 477 OH TYR A 33 2.301 3.845 -5.824 1.00 0.00 O ATOM 0 H TYR A 33 -1.170 -0.601 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.694 1.585 -1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.535 1.018 -3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.664 2.535 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.170 3.634 -2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.231 1.087 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.683 4.552 -3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.624 2.000 -6.626 1.00 0.00 H new ATOM 0 HH TYR A 33 2.319 3.414 -6.704 1.00 0.00 H new ATOM 487 N GLN A 34 -3.627 0.115 -0.686 1.00 0.00 N ATOM 488 CA GLN A 34 -4.774 -0.006 0.205 1.00 0.00 C ATOM 489 C GLN A 34 -4.333 -0.395 1.612 1.00 0.00 C ATOM 490 O GLN A 34 -4.850 0.123 2.602 1.00 0.00 O ATOM 491 CB GLN A 34 -5.761 -1.042 -0.338 1.00 0.00 C ATOM 492 CG GLN A 34 -6.811 -0.454 -1.266 1.00 0.00 C ATOM 493 CD GLN A 34 -7.590 0.677 -0.624 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.119 1.904 -0.816 1.00 0.00 O flip ATOM 495 NE2 GLN A 34 -8.603 0.452 0.038 1.00 0.00 N flip ATOM 0 H GLN A 34 -3.630 -0.538 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.267 0.965 0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.207 -1.814 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.260 -1.530 0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.326 -0.088 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.503 -1.240 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.930 -0.506 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.116 1.224 0.464 1.00 0.00 H new ATOM 504 N LYS A 35 -3.373 -1.310 1.693 1.00 0.00 N ATOM 505 CA LYS A 35 -2.860 -1.769 2.979 1.00 0.00 C ATOM 506 C LYS A 35 -2.010 -0.690 3.642 1.00 0.00 C ATOM 507 O LYS A 35 -1.950 -0.600 4.868 1.00 0.00 O ATOM 508 CB LYS A 35 -2.034 -3.044 2.796 1.00 0.00 C ATOM 509 CG LYS A 35 -2.844 -4.228 2.298 1.00 0.00 C ATOM 510 CD LYS A 35 -3.442 -5.018 3.450 1.00 0.00 C ATOM 511 CE LYS A 35 -4.268 -6.193 2.950 1.00 0.00 C ATOM 512 NZ LYS A 35 -4.480 -7.215 4.012 1.00 0.00 N ATOM 0 H LYS A 35 -2.934 -1.749 0.883 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.711 -1.985 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.226 -2.845 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.570 -3.306 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.642 -3.875 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.207 -4.880 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.643 -5.382 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.068 -4.363 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.234 -5.833 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.767 -6.653 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.139 -8.139 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.956 -6.941 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.494 -7.280 4.234 1.00 0.00 H new ATOM 526 N TYR A 36 -1.356 0.127 2.824 1.00 0.00 N ATOM 527 CA TYR A 36 -0.509 1.200 3.331 1.00 0.00 C ATOM 528 C TYR A 36 -1.351 2.330 3.915 1.00 0.00 C ATOM 529 O TYR A 36 -1.114 2.782 5.035 1.00 0.00 O ATOM 530 CB TYR A 36 0.388 1.740 2.216 1.00 0.00 C ATOM 531 CG TYR A 36 1.188 2.958 2.619 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.308 2.840 3.433 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.824 4.227 2.186 1.00 0.00 C ATOM 534 CE1 TYR A 36 3.041 3.950 3.805 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.553 5.343 2.551 1.00 0.00 C ATOM 536 CZ TYR A 36 2.660 5.199 3.361 1.00 0.00 C ATOM 537 OH TYR A 36 3.389 6.307 3.728 1.00 0.00 O ATOM 0 H TYR A 36 -1.396 0.067 1.807 1.00 0.00 H new ATOM 0 HA TYR A 36 0.116 0.791 4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.074 0.954 1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.230 1.990 1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.611 1.863 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.044 4.343 1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.908 3.841 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.258 6.322 2.204 1.00 0.00 H new ATOM 0 HH TYR A 36 2.989 7.108 3.331 1.00 0.00 H new ATOM 547 N LEU A 37 -2.337 2.781 3.147 1.00 0.00 N ATOM 548 CA LEU A 37 -3.217 3.858 3.587 1.00 0.00 C ATOM 549 C LEU A 37 -3.777 3.571 4.976 1.00 0.00 C ATOM 550 O LEU A 37 -3.933 4.478 5.794 1.00 0.00 O ATOM 551 CB LEU A 37 -4.363 4.045 2.591 1.00 0.00 C ATOM 552 CG LEU A 37 -3.966 4.512 1.190 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.026 4.114 0.174 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.746 6.017 1.173 1.00 0.00 C ATOM 0 H LEU A 37 -2.547 2.418 2.217 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.631 4.776 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.896 3.099 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.065 4.767 3.007 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.030 4.025 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.726 4.455 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.135 3.029 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.978 4.572 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.464 6.332 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.666 6.523 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.950 6.276 1.871 1.00 0.00 H new ATOM 566 N LEU A 38 -4.077 2.303 5.237 1.00 0.00 N ATOM 567 CA LEU A 38 -4.618 1.895 6.529 1.00 0.00 C ATOM 568 C LEU A 38 -3.496 1.580 7.514 1.00 0.00 C ATOM 569 O LEU A 38 -3.638 1.788 8.719 1.00 0.00 O ATOM 570 CB LEU A 38 -5.524 0.674 6.362 1.00 0.00 C ATOM 571 CG LEU A 38 -4.830 -0.688 6.408 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.714 -1.179 7.843 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.582 -1.699 5.556 1.00 0.00 C ATOM 0 H LEU A 38 -3.955 1.540 4.571 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.205 2.723 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.282 0.700 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.046 0.761 5.409 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.825 -0.576 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.218 -2.149 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.132 -0.465 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.710 -1.275 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.074 -2.662 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.599 -1.808 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.613 -1.353 4.523 1.00 0.00 H new ATOM 585 N ASP A 39 -2.382 1.080 6.992 1.00 0.00 N ATOM 586 CA ASP A 39 -1.234 0.739 7.825 1.00 0.00 C ATOM 587 C ASP A 39 0.062 1.245 7.198 1.00 0.00 C ATOM 588 O ASP A 39 0.581 0.647 6.255 1.00 0.00 O ATOM 589 CB ASP A 39 -1.158 -0.774 8.032 1.00 0.00 C ATOM 590 CG ASP A 39 -0.532 -1.146 9.362 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.327 -0.381 9.847 1.00 0.00 O ATOM 592 OD2 ASP A 39 -0.901 -2.203 9.916 1.00 0.00 O ATOM 0 H ASP A 39 -2.249 0.902 5.997 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.362 1.224 8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.161 -1.196 7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.578 -1.220 7.224 1.00 0.00 H new ATOM 597 N SER A 40 0.578 2.350 7.727 1.00 0.00 N ATOM 598 CA SER A 40 1.810 2.938 7.216 1.00 0.00 C ATOM 599 C SER A 40 2.984 2.627 8.139 1.00 0.00 C ATOM 600 O SER A 40 4.134 2.929 7.822 1.00 0.00 O ATOM 601 CB SER A 40 1.652 4.453 7.066 1.00 0.00 C ATOM 602 OG SER A 40 0.625 4.769 6.143 1.00 0.00 O ATOM 0 H SER A 40 0.162 2.856 8.509 1.00 0.00 H new ATOM 0 HA SER A 40 2.014 2.502 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.423 4.896 8.035 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.593 4.889 6.731 1.00 0.00 H new ATOM 0 HG SER A 40 0.203 3.943 5.828 1.00 0.00 H new ATOM 608 N ASN A 41 2.685 2.020 9.283 1.00 0.00 N ATOM 609 CA ASN A 41 3.715 1.668 10.253 1.00 0.00 C ATOM 610 C ASN A 41 3.567 0.217 10.701 1.00 0.00 C ATOM 611 O ASN A 41 3.644 -0.104 11.887 1.00 0.00 O ATOM 612 CB ASN A 41 3.642 2.597 11.466 1.00 0.00 C ATOM 613 CG ASN A 41 4.515 3.827 11.306 1.00 0.00 C ATOM 614 OD1 ASN A 41 5.699 3.810 11.644 1.00 0.00 O ATOM 615 ND2 ASN A 41 3.932 4.903 10.789 1.00 0.00 N ATOM 0 H ASN A 41 1.738 1.762 9.561 1.00 0.00 H new ATOM 0 HA ASN A 41 4.686 1.785 9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.608 2.906 11.622 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.949 2.050 12.358 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.469 5.761 10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.948 4.872 10.523 1.00 0.00 H new ATOM 622 N PRO A 42 3.350 -0.683 9.730 1.00 0.00 N ATOM 623 CA PRO A 42 3.188 -2.114 9.999 1.00 0.00 C ATOM 624 C PRO A 42 4.489 -2.770 10.450 1.00 0.00 C ATOM 625 O PRO A 42 5.569 -2.197 10.305 1.00 0.00 O ATOM 626 CB PRO A 42 2.745 -2.681 8.648 1.00 0.00 C ATOM 627 CG PRO A 42 3.283 -1.725 7.640 1.00 0.00 C ATOM 628 CD PRO A 42 3.247 -0.371 8.294 1.00 0.00 C ATOM 0 HA PRO A 42 2.481 -2.299 10.807 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.140 -3.685 8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.659 -2.752 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.300 -1.992 7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.681 -1.736 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.071 0.259 7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.325 0.162 8.064 1.00 0.00 H new ATOM 636 N THR A 43 4.379 -3.977 10.998 1.00 0.00 N ATOM 637 CA THR A 43 5.546 -4.710 11.472 1.00 0.00 C ATOM 638 C THR A 43 5.840 -5.910 10.579 1.00 0.00 C ATOM 639 O THR A 43 4.980 -6.358 9.821 1.00 0.00 O ATOM 640 CB THR A 43 5.353 -5.197 12.920 1.00 0.00 C ATOM 641 OG1 THR A 43 6.563 -5.794 13.401 1.00 0.00 O ATOM 642 CG2 THR A 43 4.217 -6.204 13.006 1.00 0.00 C ATOM 0 H THR A 43 3.493 -4.467 11.124 1.00 0.00 H new ATOM 0 HA THR A 43 6.389 -4.020 11.438 1.00 0.00 H new ATOM 0 HB THR A 43 5.101 -4.336 13.539 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.433 -6.100 14.323 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.100 -6.533 14.038 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.292 -5.739 12.667 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.444 -7.063 12.375 1.00 0.00 H new ATOM 650 N ARG A 44 7.061 -6.427 10.674 1.00 0.00 N ATOM 651 CA ARG A 44 7.469 -7.576 9.874 1.00 0.00 C ATOM 652 C ARG A 44 6.319 -8.567 9.721 1.00 0.00 C ATOM 653 O ARG A 44 6.103 -9.122 8.643 1.00 0.00 O ATOM 654 CB ARG A 44 8.672 -8.270 10.516 1.00 0.00 C ATOM 655 CG ARG A 44 10.011 -7.733 10.037 1.00 0.00 C ATOM 656 CD ARG A 44 10.158 -6.250 10.342 1.00 0.00 C ATOM 657 NE ARG A 44 11.554 -5.867 10.535 1.00 0.00 N ATOM 658 CZ ARG A 44 11.940 -4.639 10.863 1.00 0.00 C ATOM 659 NH1 ARG A 44 11.040 -3.681 11.034 1.00 0.00 N ATOM 660 NH2 ARG A 44 13.229 -4.368 11.020 1.00 0.00 N ATOM 0 H ARG A 44 7.785 -6.068 11.297 1.00 0.00 H new ATOM 0 HA ARG A 44 7.751 -7.217 8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.611 -8.157 11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.621 -9.338 10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.819 -8.286 10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.107 -7.896 8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.732 -5.668 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.588 -6.006 11.238 1.00 0.00 H new ATOM 0 HE ARG A 44 12.272 -6.581 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.048 -3.886 10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.339 -2.739 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.924 -5.103 10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.525 -3.425 11.272 1.00 0.00 H new ATOM 674 N LYS A 45 5.583 -8.785 10.806 1.00 0.00 N ATOM 675 CA LYS A 45 4.455 -9.708 10.793 1.00 0.00 C ATOM 676 C LYS A 45 3.478 -9.358 9.675 1.00 0.00 C ATOM 677 O LYS A 45 3.022 -10.234 8.940 1.00 0.00 O ATOM 678 CB LYS A 45 3.733 -9.682 12.142 1.00 0.00 C ATOM 679 CG LYS A 45 2.861 -10.901 12.390 1.00 0.00 C ATOM 680 CD LYS A 45 3.697 -12.127 12.717 1.00 0.00 C ATOM 681 CE LYS A 45 2.834 -13.269 13.230 1.00 0.00 C ATOM 682 NZ LYS A 45 2.456 -13.082 14.658 1.00 0.00 N ATOM 0 H LYS A 45 5.748 -8.334 11.706 1.00 0.00 H new ATOM 0 HA LYS A 45 4.841 -10.711 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.473 -9.607 12.939 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.114 -8.786 12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.175 -10.698 13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.252 -11.099 11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.237 -12.449 11.826 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.445 -11.869 13.467 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.932 -13.343 12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.373 -14.210 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.868 -13.882 14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.316 -13.036 15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.920 -12.197 14.762 1.00 0.00 H new ATOM 696 N MET A 46 3.163 -8.073 9.551 1.00 0.00 N ATOM 697 CA MET A 46 2.242 -7.609 8.520 1.00 0.00 C ATOM 698 C MET A 46 2.902 -7.646 7.146 1.00 0.00 C ATOM 699 O MET A 46 2.367 -8.235 6.205 1.00 0.00 O ATOM 700 CB MET A 46 1.768 -6.188 8.833 1.00 0.00 C ATOM 701 CG MET A 46 0.931 -6.091 10.098 1.00 0.00 C ATOM 702 SD MET A 46 -0.830 -6.313 9.785 1.00 0.00 S ATOM 703 CE MET A 46 -0.897 -8.072 9.455 1.00 0.00 C ATOM 0 H MET A 46 3.532 -7.335 10.151 1.00 0.00 H new ATOM 0 HA MET A 46 1.381 -8.278 8.508 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.637 -5.537 8.931 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.184 -5.815 7.991 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.267 -6.845 10.810 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.094 -5.119 10.563 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.867 -8.463 9.762 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.756 -8.248 8.389 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.109 -8.577 10.013 1.00 0.00 H new ATOM 713 N LEU A 47 4.066 -7.015 7.035 1.00 0.00 N ATOM 714 CA LEU A 47 4.798 -6.975 5.775 1.00 0.00 C ATOM 715 C LEU A 47 4.985 -8.380 5.209 1.00 0.00 C ATOM 716 O LEU A 47 5.110 -8.561 3.998 1.00 0.00 O ATOM 717 CB LEU A 47 6.161 -6.309 5.975 1.00 0.00 C ATOM 718 CG LEU A 47 6.134 -4.851 6.436 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.522 -4.400 6.862 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.593 -3.953 5.334 1.00 0.00 C ATOM 0 H LEU A 47 4.523 -6.524 7.803 1.00 0.00 H new ATOM 0 HA LEU A 47 4.215 -6.390 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.723 -6.890 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.710 -6.362 5.035 1.00 0.00 H new ATOM 0 HG LEU A 47 5.470 -4.774 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.483 -3.360 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.871 -5.024 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.209 -4.492 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.581 -2.919 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.230 -4.034 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.579 -4.262 5.078 1.00 0.00 H new ATOM 732 N ASP A 48 5.000 -9.371 6.094 1.00 0.00 N ATOM 733 CA ASP A 48 5.168 -10.760 5.683 1.00 0.00 C ATOM 734 C ASP A 48 3.866 -11.320 5.118 1.00 0.00 C ATOM 735 O ASP A 48 3.862 -11.978 4.077 1.00 0.00 O ATOM 736 CB ASP A 48 5.632 -11.611 6.866 1.00 0.00 C ATOM 737 CG ASP A 48 6.180 -12.956 6.431 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.078 -12.979 5.563 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.712 -13.986 6.959 1.00 0.00 O ATOM 0 H ASP A 48 4.898 -9.238 7.100 1.00 0.00 H new ATOM 0 HA ASP A 48 5.927 -10.793 4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.400 -11.071 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.796 -11.766 7.549 1.00 0.00 H new ATOM 744 N HIS A 49 2.763 -11.055 5.810 1.00 0.00 N ATOM 745 CA HIS A 49 1.455 -11.533 5.377 1.00 0.00 C ATOM 746 C HIS A 49 1.026 -10.845 4.085 1.00 0.00 C ATOM 747 O HIS A 49 0.739 -11.505 3.085 1.00 0.00 O ATOM 748 CB HIS A 49 0.413 -11.289 6.469 1.00 0.00 C ATOM 749 CG HIS A 49 -0.938 -11.849 6.143 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.254 -13.184 6.284 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.058 -11.245 5.681 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.509 -13.377 5.922 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.020 -12.217 5.552 1.00 0.00 N ATOM 0 H HIS A 49 2.749 -10.512 6.673 1.00 0.00 H new ATOM 0 HA HIS A 49 1.530 -12.604 5.190 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.765 -11.731 7.401 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.321 -10.216 6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.174 -10.195 5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.029 -14.323 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.974 -12.067 5.224 1.00 0.00 H new ATOM 762 N ILE A 50 0.984 -9.518 4.112 1.00 0.00 N ATOM 763 CA ILE A 50 0.590 -8.742 2.943 1.00 0.00 C ATOM 764 C ILE A 50 1.340 -9.205 1.698 1.00 0.00 C ATOM 765 O ILE A 50 0.749 -9.372 0.632 1.00 0.00 O ATOM 766 CB ILE A 50 0.847 -7.238 3.153 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.128 -6.746 4.411 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.393 -6.448 1.934 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.834 -5.600 5.101 1.00 0.00 C ATOM 0 H ILE A 50 1.218 -8.957 4.931 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.479 -8.904 2.802 1.00 0.00 H new ATOM 0 HB ILE A 50 1.918 -7.082 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.881 -6.432 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.029 -7.576 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.581 -5.387 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.946 -6.784 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.673 -6.607 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.268 -5.303 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.834 -5.915 5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.909 -4.755 4.417 1.00 0.00 H new ATOM 781 N ALA A 51 2.644 -9.413 1.843 1.00 0.00 N ATOM 782 CA ALA A 51 3.474 -9.861 0.731 1.00 0.00 C ATOM 783 C ALA A 51 3.102 -11.276 0.304 1.00 0.00 C ATOM 784 O ALA A 51 3.360 -11.682 -0.830 1.00 0.00 O ATOM 785 CB ALA A 51 4.946 -9.792 1.110 1.00 0.00 C ATOM 0 H ALA A 51 3.149 -9.279 2.719 1.00 0.00 H new ATOM 0 HA ALA A 51 3.296 -9.196 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.554 -10.129 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.210 -8.764 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.130 -10.433 1.972 1.00 0.00 H new ATOM 791 N HIS A 52 2.494 -12.025 1.218 1.00 0.00 N ATOM 792 CA HIS A 52 2.086 -13.397 0.935 1.00 0.00 C ATOM 793 C HIS A 52 0.768 -13.424 0.166 1.00 0.00 C ATOM 794 O HIS A 52 0.555 -14.285 -0.686 1.00 0.00 O ATOM 795 CB HIS A 52 1.946 -14.188 2.236 1.00 0.00 C ATOM 796 CG HIS A 52 1.363 -15.555 2.046 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.118 -16.652 1.688 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.091 -15.999 2.168 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.334 -17.712 1.597 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.099 -17.342 1.883 1.00 0.00 N ATOM 0 H HIS A 52 2.273 -11.705 2.161 1.00 0.00 H new ATOM 0 HA HIS A 52 2.857 -13.859 0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.927 -14.282 2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.317 -13.627 2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.771 -15.407 2.439 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.650 -18.711 1.334 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.717 -17.955 1.891 1.00 0.00 H new ATOM 809 N GLU A 53 -0.111 -12.476 0.474 1.00 0.00 N ATOM 810 CA GLU A 53 -1.408 -12.393 -0.188 1.00 0.00 C ATOM 811 C GLU A 53 -1.283 -11.707 -1.545 1.00 0.00 C ATOM 812 O GLU A 53 -2.001 -12.037 -2.489 1.00 0.00 O ATOM 813 CB GLU A 53 -2.406 -11.635 0.689 1.00 0.00 C ATOM 814 CG GLU A 53 -2.333 -10.125 0.529 1.00 0.00 C ATOM 815 CD GLU A 53 -3.477 -9.409 1.221 1.00 0.00 C ATOM 816 OE1 GLU A 53 -3.428 -9.276 2.462 1.00 0.00 O ATOM 817 OE2 GLU A 53 -4.420 -8.983 0.523 1.00 0.00 O ATOM 0 H GLU A 53 0.051 -11.755 1.177 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.772 -13.408 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.415 -11.969 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.226 -11.890 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.387 -9.766 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.341 -9.875 -0.532 1.00 0.00 H new ATOM 824 N VAL A 54 -0.366 -10.748 -1.635 1.00 0.00 N ATOM 825 CA VAL A 54 -0.146 -10.015 -2.876 1.00 0.00 C ATOM 826 C VAL A 54 0.718 -10.817 -3.843 1.00 0.00 C ATOM 827 O VAL A 54 0.657 -10.621 -5.055 1.00 0.00 O ATOM 828 CB VAL A 54 0.526 -8.654 -2.612 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.434 -7.766 -3.843 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.104 -7.975 -1.406 1.00 0.00 C ATOM 0 H VAL A 54 0.236 -10.461 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.126 -9.848 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 54 1.580 -8.824 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.914 -6.809 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.936 -8.251 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.614 -7.600 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.383 -7.015 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.166 -7.815 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.019 -8.607 -0.527 1.00 0.00 H new ATOM 840 N GLY A 55 1.524 -11.723 -3.296 1.00 0.00 N ATOM 841 CA GLY A 55 2.389 -12.542 -4.124 1.00 0.00 C ATOM 842 C GLY A 55 3.618 -11.792 -4.597 1.00 0.00 C ATOM 843 O GLY A 55 4.064 -11.968 -5.732 1.00 0.00 O ATOM 0 H GLY A 55 1.593 -11.904 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.699 -13.422 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.829 -12.898 -4.989 1.00 0.00 H new ATOM 847 N LEU A 56 4.168 -10.952 -3.727 1.00 0.00 N ATOM 848 CA LEU A 56 5.353 -10.171 -4.063 1.00 0.00 C ATOM 849 C LEU A 56 6.450 -10.371 -3.022 1.00 0.00 C ATOM 850 O LEU A 56 6.177 -10.459 -1.825 1.00 0.00 O ATOM 851 CB LEU A 56 4.997 -8.686 -4.166 1.00 0.00 C ATOM 852 CG LEU A 56 5.922 -7.833 -5.035 1.00 0.00 C ATOM 853 CD1 LEU A 56 6.011 -8.405 -6.441 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.438 -6.391 -5.073 1.00 0.00 C ATOM 0 H LEU A 56 3.812 -10.794 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 56 5.725 -10.517 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.983 -8.602 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.986 -8.265 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 56 6.919 -7.849 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.673 -7.785 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.405 -9.420 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.018 -8.420 -6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.108 -5.799 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.431 -6.356 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.428 -5.984 -4.062 1.00 0.00 H new ATOM 866 N LYS A 57 7.693 -10.439 -3.486 1.00 0.00 N ATOM 867 CA LYS A 57 8.833 -10.625 -2.596 1.00 0.00 C ATOM 868 C LYS A 57 8.655 -9.826 -1.309 1.00 0.00 C ATOM 869 O LYS A 57 8.460 -8.610 -1.343 1.00 0.00 O ATOM 870 CB LYS A 57 10.127 -10.203 -3.296 1.00 0.00 C ATOM 871 CG LYS A 57 10.573 -11.167 -4.382 1.00 0.00 C ATOM 872 CD LYS A 57 12.088 -11.223 -4.491 1.00 0.00 C ATOM 873 CE LYS A 57 12.633 -10.049 -5.289 1.00 0.00 C ATOM 874 NZ LYS A 57 14.117 -9.963 -5.205 1.00 0.00 N ATOM 0 H LYS A 57 7.937 -10.368 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 57 8.894 -11.683 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.988 -9.215 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.920 -10.114 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.186 -12.163 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.150 -10.860 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.526 -11.220 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.385 -12.157 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.333 -10.149 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.194 -9.123 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.450 -9.150 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.402 -9.842 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.537 -10.836 -5.582 1.00 0.00 H new ATOM 888 N LYS A 58 8.725 -10.515 -0.176 1.00 0.00 N ATOM 889 CA LYS A 58 8.575 -9.869 1.123 1.00 0.00 C ATOM 890 C LYS A 58 9.417 -8.600 1.201 1.00 0.00 C ATOM 891 O LYS A 58 8.943 -7.555 1.647 1.00 0.00 O ATOM 892 CB LYS A 58 8.978 -10.831 2.243 1.00 0.00 C ATOM 893 CG LYS A 58 8.231 -10.595 3.545 1.00 0.00 C ATOM 894 CD LYS A 58 8.557 -9.234 4.136 1.00 0.00 C ATOM 895 CE LYS A 58 8.463 -9.249 5.654 1.00 0.00 C ATOM 896 NZ LYS A 58 9.655 -9.888 6.277 1.00 0.00 N ATOM 0 H LYS A 58 8.885 -11.521 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 58 7.527 -9.596 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.801 -11.855 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.048 -10.735 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.158 -10.668 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.490 -11.375 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.562 -8.937 3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.871 -8.488 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.365 -8.228 6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.564 -9.785 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.413 -10.217 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.957 -10.698 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.429 -9.196 6.335 1.00 0.00 H new ATOM 910 N ARG A 59 10.668 -8.698 0.762 1.00 0.00 N ATOM 911 CA ARG A 59 11.576 -7.557 0.782 1.00 0.00 C ATOM 912 C ARG A 59 10.991 -6.383 0.002 1.00 0.00 C ATOM 913 O ARG A 59 10.833 -5.286 0.537 1.00 0.00 O ATOM 914 CB ARG A 59 12.933 -7.948 0.195 1.00 0.00 C ATOM 915 CG ARG A 59 14.004 -6.885 0.375 1.00 0.00 C ATOM 916 CD ARG A 59 14.473 -6.806 1.819 1.00 0.00 C ATOM 917 NE ARG A 59 15.678 -5.993 1.960 1.00 0.00 N ATOM 918 CZ ARG A 59 16.344 -5.857 3.102 1.00 0.00 C ATOM 919 NH1 ARG A 59 15.924 -6.477 4.196 1.00 0.00 N ATOM 920 NH2 ARG A 59 17.432 -5.099 3.150 1.00 0.00 N ATOM 0 H ARG A 59 11.076 -9.555 0.388 1.00 0.00 H new ATOM 0 HA ARG A 59 11.711 -7.250 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.269 -8.873 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.813 -8.155 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.852 -7.108 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.612 -5.916 0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.678 -6.386 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.668 -7.811 2.192 1.00 0.00 H new ATOM 0 HE ARG A 59 16.028 -5.503 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.088 -7.060 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.437 -6.371 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.758 -4.620 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.943 -4.995 4.027 1.00 0.00 H new ATOM 934 N VAL A 60 10.672 -6.622 -1.266 1.00 0.00 N ATOM 935 CA VAL A 60 10.104 -5.585 -2.120 1.00 0.00 C ATOM 936 C VAL A 60 8.874 -4.956 -1.476 1.00 0.00 C ATOM 937 O VAL A 60 8.657 -3.748 -1.577 1.00 0.00 O ATOM 938 CB VAL A 60 9.717 -6.146 -3.501 1.00 0.00 C ATOM 939 CG1 VAL A 60 9.049 -5.071 -4.346 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.940 -6.709 -4.209 1.00 0.00 C ATOM 0 H VAL A 60 10.797 -7.524 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 60 10.873 -4.823 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 60 9.003 -6.957 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.783 -5.486 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.149 -4.720 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.737 -4.237 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.648 -7.101 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.679 -5.919 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.371 -7.511 -3.609 1.00 0.00 H new ATOM 950 N VAL A 61 8.071 -5.782 -0.813 1.00 0.00 N ATOM 951 CA VAL A 61 6.863 -5.307 -0.151 1.00 0.00 C ATOM 952 C VAL A 61 7.200 -4.533 1.119 1.00 0.00 C ATOM 953 O VAL A 61 6.531 -3.558 1.459 1.00 0.00 O ATOM 954 CB VAL A 61 5.923 -6.473 0.207 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.707 -5.966 0.968 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.501 -7.222 -1.049 1.00 0.00 C ATOM 0 H VAL A 61 8.236 -6.784 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 61 6.357 -4.645 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 61 6.463 -7.166 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.055 -6.805 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.031 -5.478 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.163 -5.251 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.837 -8.043 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.980 -6.541 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.384 -7.620 -1.549 1.00 0.00 H new ATOM 966 N GLN A 62 8.243 -4.975 1.815 1.00 0.00 N ATOM 967 CA GLN A 62 8.669 -4.323 3.048 1.00 0.00 C ATOM 968 C GLN A 62 9.228 -2.933 2.763 1.00 0.00 C ATOM 969 O GLN A 62 8.853 -1.957 3.413 1.00 0.00 O ATOM 970 CB GLN A 62 9.721 -5.173 3.762 1.00 0.00 C ATOM 971 CG GLN A 62 10.682 -4.362 4.615 1.00 0.00 C ATOM 972 CD GLN A 62 11.616 -5.233 5.432 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.719 -5.082 6.649 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.303 -6.152 4.764 1.00 0.00 N ATOM 0 H GLN A 62 8.808 -5.781 1.546 1.00 0.00 H new ATOM 0 HA GLN A 62 7.798 -4.219 3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.217 -5.905 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.290 -5.731 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.271 -3.709 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.112 -3.719 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.186 -6.242 3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.947 -6.768 5.260 1.00 0.00 H new ATOM 983 N VAL A 63 10.128 -2.851 1.789 1.00 0.00 N ATOM 984 CA VAL A 63 10.739 -1.580 1.417 1.00 0.00 C ATOM 985 C VAL A 63 9.725 -0.655 0.755 1.00 0.00 C ATOM 986 O VAL A 63 9.637 0.527 1.089 1.00 0.00 O ATOM 987 CB VAL A 63 11.929 -1.788 0.461 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.554 -0.452 0.089 1.00 0.00 C ATOM 989 CG2 VAL A 63 12.961 -2.712 1.089 1.00 0.00 C ATOM 0 H VAL A 63 10.451 -3.650 1.243 1.00 0.00 H new ATOM 0 HA VAL A 63 11.098 -1.120 2.338 1.00 0.00 H new ATOM 0 HB VAL A 63 11.562 -2.257 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.393 -0.618 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.810 0.173 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.908 0.048 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.795 -2.848 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.326 -2.273 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.503 -3.679 1.300 1.00 0.00 H new ATOM 999 N TRP A 64 8.961 -1.200 -0.184 1.00 0.00 N ATOM 1000 CA TRP A 64 7.950 -0.423 -0.894 1.00 0.00 C ATOM 1001 C TRP A 64 7.171 0.465 0.070 1.00 0.00 C ATOM 1002 O TRP A 64 6.668 1.521 -0.313 1.00 0.00 O ATOM 1003 CB TRP A 64 6.992 -1.354 -1.638 1.00 0.00 C ATOM 1004 CG TRP A 64 5.968 -0.623 -2.454 1.00 0.00 C ATOM 1005 CD1 TRP A 64 6.058 -0.293 -3.776 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.702 -0.132 -2.000 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.924 0.375 -4.171 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.077 0.486 -3.101 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.036 -0.155 -0.772 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.819 1.075 -3.007 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.787 0.431 -0.681 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.189 1.038 -1.793 1.00 0.00 C ATOM 0 H TRP A 64 9.022 -2.177 -0.472 1.00 0.00 H new ATOM 0 HA TRP A 64 8.458 0.216 -1.616 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.568 -2.009 -2.292 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.483 -1.992 -0.916 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.897 -0.523 -4.417 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.743 0.731 -5.110 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.488 -0.622 0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.357 1.545 -3.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.263 0.421 0.264 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.212 1.486 -1.690 1.00 0.00 H new ATOM 1023 N PHE A 65 7.074 0.031 1.322 1.00 0.00 N ATOM 1024 CA PHE A 65 6.355 0.787 2.340 1.00 0.00 C ATOM 1025 C PHE A 65 7.208 1.937 2.867 1.00 0.00 C ATOM 1026 O PHE A 65 6.749 3.077 2.948 1.00 0.00 O ATOM 1027 CB PHE A 65 5.947 -0.131 3.495 1.00 0.00 C ATOM 1028 CG PHE A 65 4.598 -0.765 3.309 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.361 -1.621 2.246 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.568 -0.505 4.198 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.121 -2.205 2.072 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.325 -1.087 4.029 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.102 -1.939 2.966 1.00 0.00 C ATOM 0 H PHE A 65 7.485 -0.841 1.656 1.00 0.00 H new ATOM 0 HA PHE A 65 5.458 1.203 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.696 -0.915 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.945 0.443 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.155 -1.834 1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.738 0.160 5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.949 -2.869 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.529 -0.875 4.728 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.133 -2.397 2.834 1.00 0.00 H new ATOM 1043 N GLN A 66 8.450 1.630 3.224 1.00 0.00 N ATOM 1044 CA GLN A 66 9.367 2.637 3.744 1.00 0.00 C ATOM 1045 C GLN A 66 9.676 3.690 2.685 1.00 0.00 C ATOM 1046 O GLN A 66 9.912 4.855 3.004 1.00 0.00 O ATOM 1047 CB GLN A 66 10.663 1.980 4.222 1.00 0.00 C ATOM 1048 CG GLN A 66 11.673 1.748 3.109 1.00 0.00 C ATOM 1049 CD GLN A 66 13.033 1.331 3.633 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.001 2.088 3.551 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.113 0.122 4.177 1.00 0.00 N ATOM 0 H GLN A 66 8.845 0.692 3.163 1.00 0.00 H new ATOM 0 HA GLN A 66 8.885 3.129 4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.117 2.607 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.425 1.025 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.296 0.978 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.778 2.661 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.285 -0.472 4.224 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.002 -0.213 4.548 1.00 0.00 H new ATOM 1060 N ASN A 67 9.674 3.272 1.424 1.00 0.00 N ATOM 1061 CA ASN A 67 9.955 4.179 0.317 1.00 0.00 C ATOM 1062 C ASN A 67 8.799 5.151 0.102 1.00 0.00 C ATOM 1063 O ASN A 67 9.004 6.355 -0.053 1.00 0.00 O ATOM 1064 CB ASN A 67 10.216 3.387 -0.966 1.00 0.00 C ATOM 1065 CG ASN A 67 11.646 2.891 -1.058 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.566 3.512 -0.524 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.840 1.768 -1.739 1.00 0.00 N ATOM 0 H ASN A 67 9.481 2.311 1.143 1.00 0.00 H new ATOM 0 HA ASN A 67 10.847 4.753 0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.536 2.536 -1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.996 4.016 -1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.781 1.387 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.048 1.287 -2.165 1.00 0.00 H new ATOM 1074 N THR A 68 7.580 4.619 0.095 1.00 0.00 N ATOM 1075 CA THR A 68 6.390 5.437 -0.102 1.00 0.00 C ATOM 1076 C THR A 68 6.295 6.532 0.955 1.00 0.00 C ATOM 1077 O THR A 68 5.931 7.669 0.653 1.00 0.00 O ATOM 1078 CB THR A 68 5.108 4.584 -0.058 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.130 3.613 -1.109 1.00 0.00 O ATOM 1080 CG2 THR A 68 3.871 5.459 -0.194 1.00 0.00 C ATOM 0 H THR A 68 7.392 3.625 0.224 1.00 0.00 H new ATOM 0 HA THR A 68 6.480 5.894 -1.088 1.00 0.00 H new ATOM 0 HB THR A 68 5.069 4.075 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.546 2.788 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.978 4.835 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.842 6.178 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.905 5.992 -1.144 1.00 0.00 H new ATOM 1088 N ARG A 69 6.626 6.182 2.194 1.00 0.00 N ATOM 1089 CA ARG A 69 6.577 7.136 3.295 1.00 0.00 C ATOM 1090 C ARG A 69 7.474 8.338 3.014 1.00 0.00 C ATOM 1091 O ARG A 69 7.053 9.486 3.153 1.00 0.00 O ATOM 1092 CB ARG A 69 7.003 6.462 4.601 1.00 0.00 C ATOM 1093 CG ARG A 69 5.854 5.813 5.355 1.00 0.00 C ATOM 1094 CD ARG A 69 6.264 5.423 6.766 1.00 0.00 C ATOM 1095 NE ARG A 69 7.267 4.361 6.771 1.00 0.00 N ATOM 1096 CZ ARG A 69 8.576 4.586 6.764 1.00 0.00 C ATOM 1097 NH1 ARG A 69 9.038 5.829 6.752 1.00 0.00 N ATOM 1098 NH2 ARG A 69 9.426 3.567 6.768 1.00 0.00 N ATOM 0 H ARG A 69 6.931 5.246 2.460 1.00 0.00 H new ATOM 0 HA ARG A 69 5.550 7.487 3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.755 5.705 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.476 7.203 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.010 6.502 5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.517 4.928 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.659 6.297 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.385 5.094 7.321 1.00 0.00 H new ATOM 0 HE ARG A 69 6.944 3.393 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.388 6.615 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.044 5.999 6.747 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.074 2.610 6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.431 3.741 6.763 1.00 0.00 H new