USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 34 MET CE :methyl 142:sc= -0.0281 (180deg=-0.219) USER MOD Set 1.2: A 97 MET CE :methyl -151:sc= -0.395 (180deg=-2.33!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.379 K(o=0.4,f=-5.5!) USER MOD Set 2.2: A 47 ASN : amide:sc= 0.0225 X(o=0.4,f=-0.002) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 30 SER OG : rot -84:sc= 1.55 USER MOD Single : A 29 GLN : amide:sc= -4.03! C(o=-4!,f=-1.7!) USER MOD Single : A 38 ASN : amide:sc= -2.32! C(o=-2.3!,f=-5.2!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0472 USER MOD Single : A 43 THR OG1 : rot -56:sc= 0.0544 USER MOD Single : A 51 TYR OH : rot 17:sc= -1.72 USER MOD Single : A 52 CYS SG : rot 70:sc= 0.526 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00534) USER MOD Single : A 62 CYS SG : rot -130:sc= 0 USER MOD Single : A 63 MET CE :methyl -169:sc= 0 (180deg=-0.159) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00411) USER MOD Single : A 75 ASN : amide:sc= -0.109 K(o=-0.11,f=-9.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0245) USER MOD Single : A 89 SER OG : rot 48:sc= 0.531 USER MOD Single : A 90 SER OG : rot 82:sc= 1.3 USER MOD Single : A 91 GLN : amide:sc= -0.554 K(o=-0.55,f=-4.7!) USER MOD Single : A 94 ASN : amide:sc= 0.669 K(o=0.67,f=-0.067) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 336 N GLU A 26 -13.707 -0.960 -10.677 1.00 0.00 N ATOM 337 CA GLU A 26 -13.310 0.144 -9.773 1.00 0.00 C ATOM 338 C GLU A 26 -12.258 -0.235 -8.716 1.00 0.00 C ATOM 339 O GLU A 26 -11.385 0.570 -8.403 1.00 0.00 O ATOM 340 CB GLU A 26 -14.545 0.711 -9.065 1.00 0.00 C ATOM 341 CG GLU A 26 -15.488 1.446 -10.027 1.00 0.00 C ATOM 342 CD GLU A 26 -16.741 1.935 -9.298 1.00 0.00 C ATOM 343 OE1 GLU A 26 -17.687 1.117 -9.195 1.00 0.00 O ATOM 344 OE2 GLU A 26 -16.723 3.092 -8.846 1.00 0.00 O ATOM 0 HA GLU A 26 -12.843 0.888 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.087 -0.101 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.227 1.396 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.969 2.294 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.773 0.781 -10.842 1.00 0.00 H new ATOM 351 N GLY A 27 -12.342 -1.475 -8.211 1.00 0.00 N ATOM 352 CA GLY A 27 -11.534 -1.961 -7.071 1.00 0.00 C ATOM 353 C GLY A 27 -11.813 -1.191 -5.765 1.00 0.00 C ATOM 354 O GLY A 27 -12.368 -0.092 -5.776 1.00 0.00 O ATOM 0 H GLY A 27 -12.978 -2.180 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.738 -3.020 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.476 -1.874 -7.319 1.00 0.00 H new ATOM 358 N THR A 28 -11.574 -1.868 -4.644 1.00 0.00 N ATOM 359 CA THR A 28 -11.683 -1.295 -3.283 1.00 0.00 C ATOM 360 C THR A 28 -11.359 -2.288 -2.164 1.00 0.00 C ATOM 361 O THR A 28 -11.870 -3.420 -2.133 1.00 0.00 O ATOM 362 CB THR A 28 -13.015 -0.579 -2.959 1.00 0.00 C ATOM 363 OG1 THR A 28 -12.945 -0.036 -1.635 1.00 0.00 O ATOM 364 CG2 THR A 28 -14.265 -1.473 -3.115 1.00 0.00 C ATOM 0 H THR A 28 -11.293 -2.849 -4.644 1.00 0.00 H new ATOM 0 HA THR A 28 -10.910 -0.527 -3.312 1.00 0.00 H new ATOM 0 HB THR A 28 -13.136 0.216 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.786 0.421 -1.424 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.157 -0.897 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.333 -1.827 -4.144 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.188 -2.327 -2.442 1.00 0.00 H new ATOM 372 N GLN A 29 -10.541 -1.779 -1.245 1.00 0.00 N ATOM 373 CA GLN A 29 -10.220 -2.423 0.047 1.00 0.00 C ATOM 374 C GLN A 29 -10.077 -1.394 1.186 1.00 0.00 C ATOM 375 O GLN A 29 -9.060 -1.310 1.864 1.00 0.00 O ATOM 376 CB GLN A 29 -9.069 -3.447 -0.045 1.00 0.00 C ATOM 377 CG GLN A 29 -7.746 -2.993 -0.675 1.00 0.00 C ATOM 378 CD GLN A 29 -7.797 -2.751 -2.193 1.00 0.00 C ATOM 379 OE1 GLN A 29 -8.576 -3.316 -2.950 1.00 0.00 O ATOM 380 NE2 GLN A 29 -6.964 -1.859 -2.666 1.00 0.00 N ATOM 0 H GLN A 29 -10.066 -0.885 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.082 -3.033 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.854 -3.799 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.431 -4.305 -0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.425 -2.073 -0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.985 -3.746 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.313 -1.386 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.966 -1.637 -3.662 1.00 0.00 H new ATOM 389 N SER A 30 -11.093 -0.524 1.267 1.00 0.00 N ATOM 390 CA SER A 30 -11.285 0.494 2.324 1.00 0.00 C ATOM 391 C SER A 30 -11.487 -0.131 3.723 1.00 0.00 C ATOM 392 O SER A 30 -12.583 -0.161 4.287 1.00 0.00 O ATOM 393 CB SER A 30 -12.496 1.374 1.986 1.00 0.00 C ATOM 394 OG SER A 30 -12.415 1.921 0.669 1.00 0.00 O ATOM 0 H SER A 30 -11.838 -0.505 0.571 1.00 0.00 H new ATOM 0 HA SER A 30 -10.374 1.092 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.408 0.784 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.567 2.185 2.711 1.00 0.00 H new ATOM 0 HG SER A 30 -11.871 2.736 0.686 1.00 0.00 H new ATOM 400 N LEU A 31 -10.410 -0.706 4.237 1.00 0.00 N ATOM 401 CA LEU A 31 -10.369 -1.382 5.544 1.00 0.00 C ATOM 402 C LEU A 31 -9.208 -0.908 6.424 1.00 0.00 C ATOM 403 O LEU A 31 -8.157 -0.554 5.876 1.00 0.00 O ATOM 404 CB LEU A 31 -10.296 -2.899 5.335 1.00 0.00 C ATOM 405 CG LEU A 31 -11.593 -3.505 4.802 1.00 0.00 C ATOM 406 CD1 LEU A 31 -11.364 -4.967 4.426 1.00 0.00 C ATOM 407 CD2 LEU A 31 -12.721 -3.429 5.849 1.00 0.00 C ATOM 0 H LEU A 31 -9.513 -0.721 3.752 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.285 -1.122 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.487 -3.123 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.044 -3.376 6.282 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.892 -2.931 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.292 -5.395 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.595 -5.029 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.042 -5.523 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.630 -3.869 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.425 -3.978 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.907 -2.387 6.108 1.00 0.00 H new ATOM 419 N PRO A 32 -9.382 -0.885 7.756 1.00 0.00 N ATOM 420 CA PRO A 32 -8.292 -0.575 8.705 1.00 0.00 C ATOM 421 C PRO A 32 -7.175 -1.632 8.679 1.00 0.00 C ATOM 422 O PRO A 32 -7.271 -2.712 9.258 1.00 0.00 O ATOM 423 CB PRO A 32 -8.977 -0.434 10.066 1.00 0.00 C ATOM 424 CG PRO A 32 -10.242 -1.291 9.925 1.00 0.00 C ATOM 425 CD PRO A 32 -10.653 -1.080 8.473 1.00 0.00 C ATOM 0 HA PRO A 32 -7.768 0.344 8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.339 -0.791 10.875 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.220 0.605 10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.041 -2.341 10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.023 -0.970 10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.199 -1.940 8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.306 -0.214 8.367 1.00 0.00 H new ATOM 433 N ASN A 33 -6.185 -1.316 7.848 1.00 0.00 N ATOM 434 CA ASN A 33 -5.019 -2.164 7.524 1.00 0.00 C ATOM 435 C ASN A 33 -3.980 -1.288 6.791 1.00 0.00 C ATOM 436 O ASN A 33 -4.059 -0.060 6.855 1.00 0.00 O ATOM 437 CB ASN A 33 -5.517 -3.308 6.618 1.00 0.00 C ATOM 438 CG ASN A 33 -4.607 -4.531 6.664 1.00 0.00 C ATOM 439 OD1 ASN A 33 -3.618 -4.650 5.945 1.00 0.00 O ATOM 440 ND2 ASN A 33 -4.882 -5.429 7.591 1.00 0.00 N ATOM 0 H ASN A 33 -6.164 -0.423 7.355 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.555 -2.586 8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.523 -3.596 6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.586 -2.949 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.270 -6.235 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.707 -5.317 8.181 1.00 0.00 H new ATOM 447 N MET A 34 -2.983 -1.925 6.172 1.00 0.00 N ATOM 448 CA MET A 34 -1.973 -1.294 5.296 1.00 0.00 C ATOM 449 C MET A 34 -1.288 -0.035 5.855 1.00 0.00 C ATOM 450 O MET A 34 -1.683 1.102 5.612 1.00 0.00 O ATOM 451 CB MET A 34 -2.586 -1.043 3.907 1.00 0.00 C ATOM 452 CG MET A 34 -2.833 -2.348 3.143 1.00 0.00 C ATOM 453 SD MET A 34 -3.887 -2.128 1.662 1.00 0.00 S ATOM 454 CE MET A 34 -5.490 -2.248 2.414 1.00 0.00 C ATOM 0 H MET A 34 -2.845 -2.931 6.266 1.00 0.00 H new ATOM 0 HA MET A 34 -1.153 -2.009 5.227 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.527 -0.505 4.018 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.920 -0.404 3.327 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.875 -2.771 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.303 -3.070 3.811 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.168 -1.539 1.939 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.876 -3.260 2.288 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.411 -2.019 3.477 1.00 0.00 H new ATOM 464 N ILE A 35 -0.234 -0.298 6.626 1.00 0.00 N ATOM 465 CA ILE A 35 0.646 0.759 7.144 1.00 0.00 C ATOM 466 C ILE A 35 2.119 0.500 6.776 1.00 0.00 C ATOM 467 O ILE A 35 2.575 -0.650 6.771 1.00 0.00 O ATOM 468 CB ILE A 35 0.396 1.005 8.645 1.00 0.00 C ATOM 469 CG1 ILE A 35 1.103 2.291 9.105 1.00 0.00 C ATOM 470 CG2 ILE A 35 0.780 -0.215 9.511 1.00 0.00 C ATOM 471 CD1 ILE A 35 0.530 2.899 10.383 1.00 0.00 C ATOM 0 H ILE A 35 0.036 -1.240 6.910 1.00 0.00 H new ATOM 0 HA ILE A 35 0.394 1.698 6.651 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.676 1.144 8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.160 2.075 9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.044 3.030 8.306 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.586 0.008 10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.187 -1.078 9.207 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.839 -0.437 9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.085 3.802 10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.519 3.150 10.228 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.614 2.180 11.198 1.00 0.00 H new ATOM 483 N ILE A 36 2.760 1.552 6.294 1.00 0.00 N ATOM 484 CA ILE A 36 4.225 1.565 6.031 1.00 0.00 C ATOM 485 C ILE A 36 4.986 1.382 7.362 1.00 0.00 C ATOM 486 O ILE A 36 4.827 2.177 8.285 1.00 0.00 O ATOM 487 CB ILE A 36 4.665 2.884 5.366 1.00 0.00 C ATOM 488 CG1 ILE A 36 3.785 3.268 4.170 1.00 0.00 C ATOM 489 CG2 ILE A 36 6.113 2.752 4.882 1.00 0.00 C ATOM 490 CD1 ILE A 36 3.718 4.778 3.904 1.00 0.00 C ATOM 0 H ILE A 36 2.296 2.432 6.067 1.00 0.00 H new ATOM 0 HA ILE A 36 4.456 0.747 5.349 1.00 0.00 H new ATOM 0 HB ILE A 36 4.568 3.667 6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.164 2.769 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.775 2.894 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.426 3.684 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.762 2.538 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.182 1.939 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.077 4.968 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.310 5.284 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.720 5.156 3.701 1.00 0.00 H new ATOM 502 N LEU A 37 5.899 0.423 7.346 1.00 0.00 N ATOM 503 CA LEU A 37 6.811 0.137 8.475 1.00 0.00 C ATOM 504 C LEU A 37 8.196 0.701 8.081 1.00 0.00 C ATOM 505 O LEU A 37 8.659 0.489 6.965 1.00 0.00 O ATOM 506 CB LEU A 37 6.844 -1.376 8.682 1.00 0.00 C ATOM 507 CG LEU A 37 7.398 -1.857 10.027 1.00 0.00 C ATOM 508 CD1 LEU A 37 6.881 -3.273 10.293 1.00 0.00 C ATOM 509 CD2 LEU A 37 8.935 -1.900 10.055 1.00 0.00 C ATOM 0 H LEU A 37 6.040 -0.193 6.546 1.00 0.00 H new ATOM 0 HA LEU A 37 6.492 0.596 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.830 -1.760 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.442 -1.819 7.886 1.00 0.00 H new ATOM 0 HG LEU A 37 7.066 -1.149 10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.268 -3.628 11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.791 -3.263 10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.215 -3.938 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.272 -2.248 11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.294 -2.581 9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.330 -0.901 9.870 1.00 0.00 H new ATOM 521 N ASN A 38 8.876 1.306 9.049 1.00 0.00 N ATOM 522 CA ASN A 38 10.096 2.084 8.755 1.00 0.00 C ATOM 523 C ASN A 38 11.363 1.499 9.379 1.00 0.00 C ATOM 524 O ASN A 38 11.434 1.250 10.578 1.00 0.00 O ATOM 525 CB ASN A 38 9.925 3.536 9.236 1.00 0.00 C ATOM 526 CG ASN A 38 8.676 4.227 8.698 1.00 0.00 C ATOM 527 OD1 ASN A 38 8.114 3.911 7.661 1.00 0.00 O ATOM 528 ND2 ASN A 38 8.200 5.204 9.447 1.00 0.00 N ATOM 0 H ASN A 38 8.616 1.280 10.035 1.00 0.00 H new ATOM 0 HA ASN A 38 10.224 2.044 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.891 3.545 10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.802 4.111 8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.357 5.701 9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.676 5.462 10.312 1.00 0.00 H new ATOM 535 N ILE A 39 12.386 1.405 8.532 1.00 0.00 N ATOM 536 CA ILE A 39 13.751 1.006 8.915 1.00 0.00 C ATOM 537 C ILE A 39 14.652 2.217 8.610 1.00 0.00 C ATOM 538 O ILE A 39 15.259 2.336 7.540 1.00 0.00 O ATOM 539 CB ILE A 39 14.206 -0.251 8.138 1.00 0.00 C ATOM 540 CG1 ILE A 39 13.168 -1.385 8.205 1.00 0.00 C ATOM 541 CG2 ILE A 39 15.546 -0.750 8.702 1.00 0.00 C ATOM 542 CD1 ILE A 39 13.300 -2.397 7.066 1.00 0.00 C ATOM 0 H ILE A 39 12.293 1.607 7.537 1.00 0.00 H new ATOM 0 HA ILE A 39 13.803 0.738 9.970 1.00 0.00 H new ATOM 0 HB ILE A 39 14.317 0.034 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 39 13.270 -1.905 9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.167 -0.953 8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.865 -1.636 8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 39 16.298 0.032 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.427 -1.000 9.756 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.538 -3.169 7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.168 -1.889 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 39 14.288 -2.856 7.100 1.00 0.00 H new ATOM 554 N GLY A 40 14.557 3.192 9.514 1.00 0.00 N ATOM 555 CA GLY A 40 15.232 4.500 9.426 1.00 0.00 C ATOM 556 C GLY A 40 14.832 5.249 8.136 1.00 0.00 C ATOM 557 O GLY A 40 13.687 5.670 7.979 1.00 0.00 O ATOM 0 H GLY A 40 13.991 3.096 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.974 5.105 10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 40 16.312 4.357 9.446 1.00 0.00 H new ATOM 561 N ASN A 41 15.781 5.278 7.203 1.00 0.00 N ATOM 562 CA ASN A 41 15.634 5.900 5.874 1.00 0.00 C ATOM 563 C ASN A 41 14.814 5.104 4.838 1.00 0.00 C ATOM 564 O ASN A 41 14.341 5.676 3.857 1.00 0.00 O ATOM 565 CB ASN A 41 17.022 6.217 5.296 1.00 0.00 C ATOM 566 CG ASN A 41 17.845 7.110 6.233 1.00 0.00 C ATOM 567 OD1 ASN A 41 18.551 6.653 7.103 1.00 0.00 O ATOM 568 ND2 ASN A 41 17.680 8.416 6.115 1.00 0.00 N ATOM 0 H ASN A 41 16.701 4.861 7.347 1.00 0.00 H new ATOM 0 HA ASN A 41 15.052 6.804 6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 41 17.561 5.287 5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 41 16.909 6.711 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.150 9.050 6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.083 8.790 5.378 1.00 0.00 H new ATOM 575 N THR A 42 14.724 3.787 5.031 1.00 0.00 N ATOM 576 CA THR A 42 14.040 2.886 4.076 1.00 0.00 C ATOM 577 C THR A 42 12.740 2.312 4.664 1.00 0.00 C ATOM 578 O THR A 42 12.639 2.052 5.864 1.00 0.00 O ATOM 579 CB THR A 42 14.979 1.799 3.529 1.00 0.00 C ATOM 580 OG1 THR A 42 14.323 1.110 2.460 1.00 0.00 O ATOM 581 CG2 THR A 42 15.487 0.802 4.587 1.00 0.00 C ATOM 0 H THR A 42 15.116 3.310 5.843 1.00 0.00 H new ATOM 0 HA THR A 42 13.749 3.490 3.217 1.00 0.00 H new ATOM 0 HB THR A 42 15.873 2.309 3.171 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.917 0.416 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.142 0.071 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.040 1.339 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.639 0.289 5.040 1.00 0.00 H new ATOM 589 N THR A 43 11.758 2.132 3.790 1.00 0.00 N ATOM 590 CA THR A 43 10.362 1.822 4.182 1.00 0.00 C ATOM 591 C THR A 43 9.950 0.457 3.615 1.00 0.00 C ATOM 592 O THR A 43 10.273 0.118 2.478 1.00 0.00 O ATOM 593 CB THR A 43 9.364 2.918 3.733 1.00 0.00 C ATOM 594 OG1 THR A 43 8.846 2.707 2.418 1.00 0.00 O ATOM 595 CG2 THR A 43 9.955 4.334 3.791 1.00 0.00 C ATOM 0 H THR A 43 11.894 2.194 2.781 1.00 0.00 H new ATOM 0 HA THR A 43 10.328 1.790 5.271 1.00 0.00 H new ATOM 0 HB THR A 43 8.552 2.836 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.588 2.632 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.206 5.055 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.255 4.561 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.824 4.392 3.136 1.00 0.00 H new ATOM 603 N ILE A 44 9.263 -0.332 4.432 1.00 0.00 N ATOM 604 CA ILE A 44 8.788 -1.672 4.055 1.00 0.00 C ATOM 605 C ILE A 44 7.271 -1.843 4.254 1.00 0.00 C ATOM 606 O ILE A 44 6.674 -1.332 5.203 1.00 0.00 O ATOM 607 CB ILE A 44 9.643 -2.764 4.738 1.00 0.00 C ATOM 608 CG1 ILE A 44 9.352 -4.143 4.128 1.00 0.00 C ATOM 609 CG2 ILE A 44 9.471 -2.761 6.271 1.00 0.00 C ATOM 610 CD1 ILE A 44 10.424 -5.194 4.418 1.00 0.00 C ATOM 0 H ILE A 44 9.014 -0.064 5.384 1.00 0.00 H new ATOM 0 HA ILE A 44 8.930 -1.794 2.981 1.00 0.00 H new ATOM 0 HB ILE A 44 10.691 -2.531 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.395 -4.501 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.247 -4.036 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.090 -3.544 6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.775 -1.793 6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.426 -2.943 6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.143 -6.139 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.380 -4.860 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.515 -5.333 5.495 1.00 0.00 H new ATOM 622 N ILE A 45 6.664 -2.453 3.231 1.00 0.00 N ATOM 623 CA ILE A 45 5.235 -2.815 3.207 1.00 0.00 C ATOM 624 C ILE A 45 5.078 -4.255 2.705 1.00 0.00 C ATOM 625 O ILE A 45 5.696 -4.652 1.712 1.00 0.00 O ATOM 626 CB ILE A 45 4.391 -1.876 2.305 1.00 0.00 C ATOM 627 CG1 ILE A 45 4.672 -0.378 2.488 1.00 0.00 C ATOM 628 CG2 ILE A 45 2.894 -2.107 2.568 1.00 0.00 C ATOM 629 CD1 ILE A 45 5.779 0.138 1.556 1.00 0.00 C ATOM 0 H ILE A 45 7.158 -2.716 2.378 1.00 0.00 H new ATOM 0 HA ILE A 45 4.866 -2.714 4.228 1.00 0.00 H new ATOM 0 HB ILE A 45 4.679 -2.134 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.757 0.184 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.958 -0.190 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.306 -1.445 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.641 -3.143 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.672 -1.897 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.934 1.203 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.705 -0.401 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.485 -0.021 0.519 1.00 0.00 H new ATOM 641 N ARG A 46 4.234 -5.018 3.412 1.00 0.00 N ATOM 642 CA ARG A 46 3.768 -6.337 2.939 1.00 0.00 C ATOM 643 C ARG A 46 2.669 -6.296 1.854 1.00 0.00 C ATOM 644 O ARG A 46 2.905 -6.726 0.730 1.00 0.00 O ATOM 645 CB ARG A 46 3.369 -7.265 4.098 1.00 0.00 C ATOM 646 CG ARG A 46 2.271 -6.718 5.027 1.00 0.00 C ATOM 647 CD ARG A 46 2.743 -6.571 6.475 1.00 0.00 C ATOM 648 NE ARG A 46 3.876 -5.623 6.593 1.00 0.00 N ATOM 649 CZ ARG A 46 3.851 -4.298 6.420 1.00 0.00 C ATOM 650 NH1 ARG A 46 2.730 -3.607 6.276 1.00 0.00 N ATOM 651 NH2 ARG A 46 4.980 -3.610 6.527 1.00 0.00 N ATOM 0 H ARG A 46 3.856 -4.746 4.319 1.00 0.00 H new ATOM 0 HA ARG A 46 4.642 -6.759 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.031 -8.214 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.256 -7.476 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.938 -5.748 4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.409 -7.384 4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.915 -6.226 7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.043 -7.546 6.860 1.00 0.00 H new ATOM 0 HE ARG A 46 4.780 -6.029 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.830 -4.086 6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.767 -2.596 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.853 -4.093 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.975 -2.598 6.397 1.00 0.00 H new ATOM 665 N ASN A 47 1.610 -5.537 2.113 1.00 0.00 N ATOM 666 CA ASN A 47 0.402 -5.496 1.256 1.00 0.00 C ATOM 667 C ASN A 47 0.443 -4.395 0.175 1.00 0.00 C ATOM 668 O ASN A 47 -0.580 -3.864 -0.260 1.00 0.00 O ATOM 669 CB ASN A 47 -0.844 -5.382 2.136 1.00 0.00 C ATOM 670 CG ASN A 47 -1.058 -6.576 3.079 1.00 0.00 C ATOM 671 OD1 ASN A 47 -0.451 -7.632 2.978 1.00 0.00 O ATOM 672 ND2 ASN A 47 -1.862 -6.399 4.100 1.00 0.00 N ATOM 0 H ASN A 47 1.552 -4.924 2.926 1.00 0.00 H new ATOM 0 HA ASN A 47 0.368 -6.432 0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.773 -4.471 2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.720 -5.277 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.973 -7.137 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.376 -5.523 4.199 1.00 0.00 H new ATOM 679 N PHE A 48 1.635 -4.248 -0.411 1.00 0.00 N ATOM 680 CA PHE A 48 1.993 -3.118 -1.291 1.00 0.00 C ATOM 681 C PHE A 48 1.108 -2.892 -2.522 1.00 0.00 C ATOM 682 O PHE A 48 0.617 -1.774 -2.696 1.00 0.00 O ATOM 683 CB PHE A 48 3.480 -3.166 -1.684 1.00 0.00 C ATOM 684 CG PHE A 48 3.929 -4.491 -2.307 1.00 0.00 C ATOM 685 CD1 PHE A 48 3.806 -4.721 -3.684 1.00 0.00 C ATOM 686 CD2 PHE A 48 4.460 -5.498 -1.483 1.00 0.00 C ATOM 687 CE1 PHE A 48 4.192 -5.946 -4.235 1.00 0.00 C ATOM 688 CE2 PHE A 48 4.834 -6.730 -2.031 1.00 0.00 C ATOM 689 CZ PHE A 48 4.707 -6.951 -3.408 1.00 0.00 C ATOM 0 H PHE A 48 2.394 -4.918 -0.289 1.00 0.00 H new ATOM 0 HA PHE A 48 1.796 -2.245 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.683 -2.360 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.084 -2.973 -0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.410 -3.946 -4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.580 -5.321 -0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.093 -6.117 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.221 -7.510 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.007 -7.898 -3.832 1.00 0.00 H new ATOM 699 N ALA A 49 0.750 -3.952 -3.241 1.00 0.00 N ATOM 700 CA ALA A 49 -0.129 -3.848 -4.440 1.00 0.00 C ATOM 701 C ALA A 49 -1.506 -3.221 -4.126 1.00 0.00 C ATOM 702 O ALA A 49 -1.866 -2.196 -4.693 1.00 0.00 O ATOM 703 CB ALA A 49 -0.294 -5.241 -5.064 1.00 0.00 C ATOM 0 H ALA A 49 1.048 -4.904 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 49 0.353 -3.175 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.936 -5.173 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.682 -5.626 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.746 -5.915 -4.336 1.00 0.00 H new ATOM 709 N GLU A 50 -2.128 -3.730 -3.059 1.00 0.00 N ATOM 710 CA GLU A 50 -3.416 -3.226 -2.540 1.00 0.00 C ATOM 711 C GLU A 50 -3.288 -1.779 -2.040 1.00 0.00 C ATOM 712 O GLU A 50 -4.087 -0.911 -2.379 1.00 0.00 O ATOM 713 CB GLU A 50 -3.946 -4.087 -1.374 1.00 0.00 C ATOM 714 CG GLU A 50 -4.012 -5.594 -1.638 1.00 0.00 C ATOM 715 CD GLU A 50 -2.754 -6.302 -1.100 1.00 0.00 C ATOM 716 OE1 GLU A 50 -1.720 -6.219 -1.792 1.00 0.00 O ATOM 717 OE2 GLU A 50 -2.840 -6.820 0.029 1.00 0.00 O ATOM 0 H GLU A 50 -1.753 -4.511 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.116 -3.275 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.312 -3.917 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.945 -3.738 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.900 -6.012 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.107 -5.776 -2.709 1.00 0.00 H new ATOM 724 N TYR A 51 -2.184 -1.527 -1.335 1.00 0.00 N ATOM 725 CA TYR A 51 -1.815 -0.219 -0.765 1.00 0.00 C ATOM 726 C TYR A 51 -1.542 0.865 -1.822 1.00 0.00 C ATOM 727 O TYR A 51 -1.953 2.017 -1.631 1.00 0.00 O ATOM 728 CB TYR A 51 -0.594 -0.457 0.126 1.00 0.00 C ATOM 729 CG TYR A 51 -0.285 0.641 1.147 1.00 0.00 C ATOM 730 CD1 TYR A 51 -1.287 1.399 1.769 1.00 0.00 C ATOM 731 CD2 TYR A 51 1.016 0.653 1.676 1.00 0.00 C ATOM 732 CE1 TYR A 51 -1.006 2.127 2.933 1.00 0.00 C ATOM 733 CE2 TYR A 51 1.289 1.353 2.849 1.00 0.00 C ATOM 734 CZ TYR A 51 0.286 2.099 3.479 1.00 0.00 C ATOM 735 OH TYR A 51 0.504 2.645 4.697 1.00 0.00 O ATOM 0 H TYR A 51 -1.494 -2.251 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.657 0.174 -0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.738 -1.395 0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.279 -0.587 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.282 1.422 1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.807 0.118 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.782 2.708 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.281 1.320 3.275 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.351 2.762 5.161 1.00 0.00 H new ATOM 745 N CYS A 52 -0.924 0.485 -2.931 1.00 0.00 N ATOM 746 CA CYS A 52 -0.736 1.340 -4.122 1.00 0.00 C ATOM 747 C CYS A 52 -2.078 1.826 -4.692 1.00 0.00 C ATOM 748 O CYS A 52 -2.310 3.030 -4.801 1.00 0.00 O ATOM 749 CB CYS A 52 0.048 0.605 -5.209 1.00 0.00 C ATOM 750 SG CYS A 52 1.788 0.262 -4.751 1.00 0.00 S ATOM 0 H CYS A 52 -0.525 -0.447 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.165 2.210 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.453 -0.337 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.032 1.200 -6.122 1.00 0.00 H new ATOM 0 HG CYS A 52 1.820 -0.635 -3.811 1.00 0.00 H new ATOM 756 N ASP A 53 -3.014 0.892 -4.846 1.00 0.00 N ATOM 757 CA ASP A 53 -4.411 1.183 -5.226 1.00 0.00 C ATOM 758 C ASP A 53 -5.121 2.082 -4.194 1.00 0.00 C ATOM 759 O ASP A 53 -5.920 2.939 -4.561 1.00 0.00 O ATOM 760 CB ASP A 53 -5.123 -0.153 -5.438 1.00 0.00 C ATOM 761 CG ASP A 53 -6.541 -0.032 -6.002 1.00 0.00 C ATOM 762 OD1 ASP A 53 -6.655 0.230 -7.222 1.00 0.00 O ATOM 763 OD2 ASP A 53 -7.468 -0.334 -5.227 1.00 0.00 O ATOM 0 H ASP A 53 -2.830 -0.102 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.434 1.757 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.527 -0.765 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.168 -0.682 -4.486 1.00 0.00 H new ATOM 768 N ARG A 54 -4.796 1.891 -2.907 1.00 0.00 N ATOM 769 CA ARG A 54 -5.295 2.715 -1.788 1.00 0.00 C ATOM 770 C ARG A 54 -4.819 4.173 -1.746 1.00 0.00 C ATOM 771 O ARG A 54 -5.591 5.053 -1.393 1.00 0.00 O ATOM 772 CB ARG A 54 -5.034 2.004 -0.446 1.00 0.00 C ATOM 773 CG ARG A 54 -5.846 0.711 -0.276 1.00 0.00 C ATOM 774 CD ARG A 54 -7.334 0.896 0.069 1.00 0.00 C ATOM 775 NE ARG A 54 -8.011 1.768 -0.903 1.00 0.00 N ATOM 776 CZ ARG A 54 -8.755 1.427 -1.949 1.00 0.00 C ATOM 777 NH1 ARG A 54 -8.805 0.211 -2.465 1.00 0.00 N ATOM 778 NH2 ARG A 54 -9.232 2.402 -2.702 1.00 0.00 N ATOM 0 H ARG A 54 -4.167 1.146 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.366 2.806 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.972 1.771 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.273 2.685 0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.775 0.136 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.382 0.113 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.826 -0.076 0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.426 1.323 1.068 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.893 2.770 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.248 -0.539 -2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.401 0.023 -3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.024 3.373 -2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.808 2.183 -3.515 1.00 0.00 H new ATOM 792 N ILE A 55 -3.532 4.399 -2.015 1.00 0.00 N ATOM 793 CA ILE A 55 -2.984 5.771 -2.206 1.00 0.00 C ATOM 794 C ILE A 55 -3.478 6.394 -3.523 1.00 0.00 C ATOM 795 O ILE A 55 -3.895 7.554 -3.540 1.00 0.00 O ATOM 796 CB ILE A 55 -1.444 5.810 -1.987 1.00 0.00 C ATOM 797 CG1 ILE A 55 -0.855 7.233 -1.878 1.00 0.00 C ATOM 798 CG2 ILE A 55 -0.655 4.901 -2.939 1.00 0.00 C ATOM 799 CD1 ILE A 55 -0.697 8.066 -3.156 1.00 0.00 C ATOM 0 H ILE A 55 -2.837 3.658 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.383 6.422 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.309 5.374 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.484 7.799 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.128 7.149 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.410 4.985 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.973 3.867 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.841 5.204 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.271 9.038 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.036 7.547 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.672 8.207 -3.622 1.00 0.00 H new ATOM 811 N ARG A 56 -3.446 5.610 -4.604 1.00 0.00 N ATOM 812 CA ARG A 56 -3.983 6.008 -5.919 1.00 0.00 C ATOM 813 C ARG A 56 -4.156 4.795 -6.837 1.00 0.00 C ATOM 814 O ARG A 56 -3.179 4.184 -7.289 1.00 0.00 O ATOM 815 CB ARG A 56 -3.096 7.051 -6.610 1.00 0.00 C ATOM 816 CG ARG A 56 -3.920 7.936 -7.556 1.00 0.00 C ATOM 817 CD ARG A 56 -4.463 9.210 -6.886 1.00 0.00 C ATOM 818 NE ARG A 56 -5.257 8.965 -5.669 1.00 0.00 N ATOM 819 CZ ARG A 56 -6.475 9.428 -5.392 1.00 0.00 C ATOM 820 NH1 ARG A 56 -7.073 10.372 -6.107 1.00 0.00 N ATOM 821 NH2 ARG A 56 -7.062 9.079 -4.258 1.00 0.00 N ATOM 0 H ARG A 56 -3.044 4.672 -4.597 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.958 6.457 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.607 7.672 -5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.308 6.549 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.301 8.218 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.756 7.356 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.625 9.859 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.079 9.750 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.825 8.374 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.598 10.779 -6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.008 10.691 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.582 8.460 -3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.994 9.429 -4.038 1.00 0.00 H new ATOM 835 N ARG A 57 -5.412 4.466 -7.088 1.00 0.00 N ATOM 836 CA ARG A 57 -5.830 3.457 -8.093 1.00 0.00 C ATOM 837 C ARG A 57 -5.090 3.602 -9.439 1.00 0.00 C ATOM 838 O ARG A 57 -4.679 2.606 -10.039 1.00 0.00 O ATOM 839 CB ARG A 57 -7.341 3.582 -8.345 1.00 0.00 C ATOM 840 CG ARG A 57 -8.189 3.119 -7.153 1.00 0.00 C ATOM 841 CD ARG A 57 -9.678 3.348 -7.464 1.00 0.00 C ATOM 842 NE ARG A 57 -10.530 2.701 -6.451 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.806 3.127 -5.219 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.375 4.281 -4.740 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.594 2.389 -4.443 1.00 0.00 N ATOM 0 H ARG A 57 -6.199 4.892 -6.598 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.576 2.480 -7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.581 4.621 -8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.607 2.994 -9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.007 2.063 -6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.905 3.669 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.888 4.417 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.913 2.950 -8.451 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.961 1.819 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.802 4.893 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.615 4.560 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.977 1.511 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.815 2.701 -3.497 1.00 0.00 H new ATOM 859 N GLU A 58 -4.858 4.845 -9.841 1.00 0.00 N ATOM 860 CA GLU A 58 -4.023 5.188 -11.011 1.00 0.00 C ATOM 861 C GLU A 58 -2.541 4.987 -10.657 1.00 0.00 C ATOM 862 O GLU A 58 -1.824 5.909 -10.248 1.00 0.00 O ATOM 863 CB GLU A 58 -4.345 6.631 -11.430 1.00 0.00 C ATOM 864 CG GLU A 58 -4.315 6.825 -12.953 1.00 0.00 C ATOM 865 CD GLU A 58 -2.983 6.486 -13.631 1.00 0.00 C ATOM 866 OE1 GLU A 58 -1.930 6.738 -13.017 1.00 0.00 O ATOM 867 OE2 GLU A 58 -3.039 5.905 -14.740 1.00 0.00 O ATOM 0 H GLU A 58 -5.244 5.661 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.237 4.537 -11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.330 6.904 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.627 7.308 -10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.097 6.208 -13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.563 7.863 -13.175 1.00 0.00 H new ATOM 874 N ASP A 59 -2.110 3.743 -10.834 1.00 0.00 N ATOM 875 CA ASP A 59 -0.750 3.277 -10.490 1.00 0.00 C ATOM 876 C ASP A 59 0.426 4.081 -11.093 1.00 0.00 C ATOM 877 O ASP A 59 1.432 4.215 -10.416 1.00 0.00 O ATOM 878 CB ASP A 59 -0.622 1.783 -10.803 1.00 0.00 C ATOM 879 CG ASP A 59 0.674 1.171 -10.233 1.00 0.00 C ATOM 880 OD1 ASP A 59 0.622 0.725 -9.070 1.00 0.00 O ATOM 881 OD2 ASP A 59 1.663 1.144 -10.991 1.00 0.00 O ATOM 0 H ASP A 59 -2.698 3.008 -11.227 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.651 3.459 -9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.482 1.254 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.645 1.638 -11.883 1.00 0.00 H new ATOM 886 N LYS A 60 0.281 4.620 -12.304 1.00 0.00 N ATOM 887 CA LYS A 60 1.300 5.502 -12.926 1.00 0.00 C ATOM 888 C LYS A 60 1.622 6.714 -12.027 1.00 0.00 C ATOM 889 O LYS A 60 2.781 6.932 -11.668 1.00 0.00 O ATOM 890 CB LYS A 60 0.808 5.960 -14.302 1.00 0.00 C ATOM 891 CG LYS A 60 1.806 6.827 -15.063 1.00 0.00 C ATOM 892 CD LYS A 60 1.163 7.570 -16.244 1.00 0.00 C ATOM 893 CE LYS A 60 0.793 6.663 -17.427 1.00 0.00 C ATOM 894 NZ LYS A 60 1.984 6.175 -18.144 1.00 0.00 N ATOM 0 H LYS A 60 -0.540 4.465 -12.889 1.00 0.00 H new ATOM 0 HA LYS A 60 2.223 4.935 -13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.574 5.081 -14.903 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.120 6.518 -14.177 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.247 7.552 -14.379 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.619 6.201 -15.431 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.264 8.078 -15.894 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.850 8.341 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.215 5.813 -17.065 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.154 7.212 -18.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.688 5.595 -18.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.541 6.985 -18.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.565 5.600 -17.501 1.00 0.00 H new ATOM 908 N ILE A 61 0.572 7.364 -11.521 1.00 0.00 N ATOM 909 CA ILE A 61 0.667 8.502 -10.578 1.00 0.00 C ATOM 910 C ILE A 61 1.359 8.071 -9.268 1.00 0.00 C ATOM 911 O ILE A 61 2.340 8.679 -8.851 1.00 0.00 O ATOM 912 CB ILE A 61 -0.733 9.110 -10.346 1.00 0.00 C ATOM 913 CG1 ILE A 61 -1.446 9.540 -11.645 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.729 10.265 -9.330 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.676 10.501 -12.570 1.00 0.00 C ATOM 0 H ILE A 61 -0.390 7.117 -11.754 1.00 0.00 H new ATOM 0 HA ILE A 61 1.291 9.283 -11.011 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.310 8.290 -9.918 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.689 8.642 -12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.391 10.012 -11.375 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.742 10.649 -9.212 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.363 9.903 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.078 11.063 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.283 10.727 -13.447 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.456 11.424 -12.034 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.257 10.033 -12.885 1.00 0.00 H new ATOM 927 N CYS A 62 0.912 6.935 -8.724 1.00 0.00 N ATOM 928 CA CYS A 62 1.529 6.292 -7.535 1.00 0.00 C ATOM 929 C CYS A 62 3.031 6.016 -7.721 1.00 0.00 C ATOM 930 O CYS A 62 3.843 6.425 -6.891 1.00 0.00 O ATOM 931 CB CYS A 62 0.754 5.011 -7.229 1.00 0.00 C ATOM 932 SG CYS A 62 1.406 4.069 -5.797 1.00 0.00 S ATOM 0 H CYS A 62 0.108 6.424 -9.090 1.00 0.00 H new ATOM 0 HA CYS A 62 1.466 6.978 -6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.289 5.266 -7.039 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.770 4.370 -8.110 1.00 0.00 H new ATOM 0 HG CYS A 62 1.564 2.823 -6.133 1.00 0.00 H new ATOM 938 N MET A 63 3.388 5.436 -8.875 1.00 0.00 N ATOM 939 CA MET A 63 4.777 5.148 -9.292 1.00 0.00 C ATOM 940 C MET A 63 5.630 6.424 -9.382 1.00 0.00 C ATOM 941 O MET A 63 6.665 6.529 -8.723 1.00 0.00 O ATOM 942 CB MET A 63 4.723 4.412 -10.639 1.00 0.00 C ATOM 943 CG MET A 63 6.077 3.823 -11.051 1.00 0.00 C ATOM 944 SD MET A 63 6.022 2.966 -12.674 1.00 0.00 S ATOM 945 CE MET A 63 5.030 1.546 -12.279 1.00 0.00 C ATOM 0 H MET A 63 2.700 5.143 -9.569 1.00 0.00 H new ATOM 0 HA MET A 63 5.259 4.522 -8.542 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.986 3.611 -10.580 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.382 5.102 -11.411 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.817 4.622 -11.093 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.409 3.121 -10.286 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.069 0.834 -13.104 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.414 1.075 -11.374 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.998 1.857 -12.117 1.00 0.00 H new ATOM 955 N LYS A 64 5.090 7.442 -10.061 1.00 0.00 N ATOM 956 CA LYS A 64 5.727 8.776 -10.151 1.00 0.00 C ATOM 957 C LYS A 64 5.979 9.398 -8.762 1.00 0.00 C ATOM 958 O LYS A 64 7.104 9.781 -8.462 1.00 0.00 O ATOM 959 CB LYS A 64 4.885 9.726 -11.010 1.00 0.00 C ATOM 960 CG LYS A 64 4.929 9.340 -12.490 1.00 0.00 C ATOM 961 CD LYS A 64 4.138 10.338 -13.339 1.00 0.00 C ATOM 962 CE LYS A 64 4.258 10.002 -14.828 1.00 0.00 C ATOM 963 NZ LYS A 64 3.542 10.992 -15.646 1.00 0.00 N ATOM 0 H LYS A 64 4.205 7.373 -10.563 1.00 0.00 H new ATOM 0 HA LYS A 64 6.697 8.631 -10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.852 9.713 -10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.250 10.746 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.964 9.307 -12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.518 8.339 -12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.089 10.324 -13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.507 11.348 -13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.309 9.977 -15.116 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.853 9.008 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.636 10.745 -16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.536 10.997 -15.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.947 11.936 -15.482 1.00 0.00 H new ATOM 977 N TYR A 65 4.983 9.280 -7.889 1.00 0.00 N ATOM 978 CA TYR A 65 5.060 9.733 -6.484 1.00 0.00 C ATOM 979 C TYR A 65 6.137 9.018 -5.655 1.00 0.00 C ATOM 980 O TYR A 65 7.028 9.674 -5.115 1.00 0.00 O ATOM 981 CB TYR A 65 3.674 9.585 -5.856 1.00 0.00 C ATOM 982 CG TYR A 65 3.167 10.804 -5.075 1.00 0.00 C ATOM 983 CD1 TYR A 65 3.550 12.110 -5.413 1.00 0.00 C ATOM 984 CD2 TYR A 65 2.099 10.614 -4.186 1.00 0.00 C ATOM 985 CE1 TYR A 65 2.848 13.209 -4.902 1.00 0.00 C ATOM 986 CE2 TYR A 65 1.386 11.719 -3.680 1.00 0.00 C ATOM 987 CZ TYR A 65 1.756 13.020 -4.051 1.00 0.00 C ATOM 988 OH TYR A 65 1.031 14.079 -3.642 1.00 0.00 O ATOM 0 H TYR A 65 4.084 8.863 -8.130 1.00 0.00 H new ATOM 0 HA TYR A 65 5.370 10.778 -6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.959 9.359 -6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.689 8.726 -5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.391 12.269 -6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.821 9.614 -3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.153 14.210 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.555 11.564 -3.007 1.00 0.00 H new ATOM 0 HH TYR A 65 0.307 13.773 -3.056 1.00 0.00 H new ATOM 998 N LEU A 66 6.128 7.676 -5.691 1.00 0.00 N ATOM 999 CA LEU A 66 7.140 6.844 -5.004 1.00 0.00 C ATOM 1000 C LEU A 66 8.582 6.993 -5.513 1.00 0.00 C ATOM 1001 O LEU A 66 9.532 6.559 -4.866 1.00 0.00 O ATOM 1002 CB LEU A 66 6.699 5.372 -4.871 1.00 0.00 C ATOM 1003 CG LEU A 66 6.401 4.597 -6.159 1.00 0.00 C ATOM 1004 CD1 LEU A 66 7.670 4.045 -6.816 1.00 0.00 C ATOM 1005 CD2 LEU A 66 5.415 3.467 -5.864 1.00 0.00 C ATOM 0 H LEU A 66 5.424 7.135 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 66 7.185 7.262 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.479 4.836 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.804 5.345 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 66 5.957 5.295 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.404 3.505 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.338 4.869 -7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.172 3.368 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.205 2.918 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.847 2.790 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.488 3.886 -5.472 1.00 0.00 H new ATOM 1017 N LEU A 67 8.711 7.427 -6.769 1.00 0.00 N ATOM 1018 CA LEU A 67 9.998 7.881 -7.334 1.00 0.00 C ATOM 1019 C LEU A 67 10.352 9.273 -6.779 1.00 0.00 C ATOM 1020 O LEU A 67 11.176 9.393 -5.875 1.00 0.00 O ATOM 1021 CB LEU A 67 9.900 7.852 -8.868 1.00 0.00 C ATOM 1022 CG LEU A 67 11.207 7.686 -9.656 1.00 0.00 C ATOM 1023 CD1 LEU A 67 12.191 8.848 -9.477 1.00 0.00 C ATOM 1024 CD2 LEU A 67 11.879 6.339 -9.347 1.00 0.00 C ATOM 0 H LEU A 67 7.933 7.476 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 67 10.810 7.216 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.232 7.037 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.426 8.778 -9.193 1.00 0.00 H new ATOM 0 HG LEU A 67 10.919 7.699 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.089 8.658 -10.064 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.726 9.774 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.458 8.939 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.802 6.253 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.107 6.282 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.206 5.526 -9.618 1.00 0.00 H new ATOM 1036 N LYS A 68 9.543 10.272 -7.150 1.00 0.00 N ATOM 1037 CA LYS A 68 9.766 11.714 -6.912 1.00 0.00 C ATOM 1038 C LYS A 68 9.999 12.097 -5.438 1.00 0.00 C ATOM 1039 O LYS A 68 10.818 12.965 -5.146 1.00 0.00 O ATOM 1040 CB LYS A 68 8.555 12.460 -7.481 1.00 0.00 C ATOM 1041 CG LYS A 68 8.777 13.967 -7.648 1.00 0.00 C ATOM 1042 CD LYS A 68 7.517 14.620 -8.218 1.00 0.00 C ATOM 1043 CE LYS A 68 7.712 16.119 -8.502 1.00 0.00 C ATOM 1044 NZ LYS A 68 7.947 16.898 -7.275 1.00 0.00 N ATOM 0 H LYS A 68 8.671 10.095 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 68 10.694 11.996 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.298 12.031 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.700 12.299 -6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.026 14.415 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.622 14.147 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.233 14.112 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.694 14.490 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.556 16.251 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.830 16.507 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.038 17.906 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.147 16.769 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.822 16.571 -6.818 1.00 0.00 H new ATOM 1058 N GLU A 69 9.261 11.457 -4.525 1.00 0.00 N ATOM 1059 CA GLU A 69 9.350 11.733 -3.078 1.00 0.00 C ATOM 1060 C GLU A 69 10.448 10.944 -2.336 1.00 0.00 C ATOM 1061 O GLU A 69 10.654 11.135 -1.130 1.00 0.00 O ATOM 1062 CB GLU A 69 7.946 11.477 -2.500 1.00 0.00 C ATOM 1063 CG GLU A 69 7.704 11.989 -1.069 1.00 0.00 C ATOM 1064 CD GLU A 69 7.782 13.509 -0.951 1.00 0.00 C ATOM 1065 OE1 GLU A 69 6.738 14.145 -1.215 1.00 0.00 O ATOM 1066 OE2 GLU A 69 8.864 14.002 -0.576 1.00 0.00 O ATOM 0 H GLU A 69 8.584 10.732 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 69 9.661 12.767 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.213 11.941 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.757 10.404 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.723 11.655 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.440 11.541 -0.401 1.00 0.00 H new ATOM 1073 N LEU A 70 11.155 10.047 -3.015 1.00 0.00 N ATOM 1074 CA LEU A 70 12.106 9.140 -2.343 1.00 0.00 C ATOM 1075 C LEU A 70 13.565 9.261 -2.803 1.00 0.00 C ATOM 1076 O LEU A 70 13.877 9.267 -3.980 1.00 0.00 O ATOM 1077 CB LEU A 70 11.614 7.684 -2.381 1.00 0.00 C ATOM 1078 CG LEU A 70 10.464 7.459 -1.382 1.00 0.00 C ATOM 1079 CD1 LEU A 70 9.107 7.805 -1.988 1.00 0.00 C ATOM 1080 CD2 LEU A 70 10.469 6.028 -0.857 1.00 0.00 C ATOM 0 H LEU A 70 11.095 9.921 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 70 12.124 9.477 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.278 7.437 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.440 7.012 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 70 10.630 8.135 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.324 7.632 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.099 8.853 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.928 7.177 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.647 5.896 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.349 5.335 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.414 5.829 -0.352 1.00 0.00 H new ATOM 1092 N ALA A 71 14.422 9.189 -1.789 1.00 0.00 N ATOM 1093 CA ALA A 71 15.885 9.407 -1.894 1.00 0.00 C ATOM 1094 C ALA A 71 16.627 8.416 -2.805 1.00 0.00 C ATOM 1095 O ALA A 71 17.653 8.760 -3.384 1.00 0.00 O ATOM 1096 CB ALA A 71 16.485 9.374 -0.483 1.00 0.00 C ATOM 0 H ALA A 71 14.122 8.972 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 71 16.020 10.378 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.562 9.533 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.035 10.161 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.286 8.405 -0.025 1.00 0.00 H new ATOM 1102 N ALA A 72 16.136 7.175 -2.839 1.00 0.00 N ATOM 1103 CA ALA A 72 16.680 6.126 -3.719 1.00 0.00 C ATOM 1104 C ALA A 72 15.624 5.691 -4.742 1.00 0.00 C ATOM 1105 O ALA A 72 14.485 5.379 -4.367 1.00 0.00 O ATOM 1106 CB ALA A 72 17.175 4.953 -2.868 1.00 0.00 C ATOM 0 H ALA A 72 15.354 6.865 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 72 17.529 6.516 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.578 4.176 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.955 5.299 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.345 4.548 -2.289 1.00 0.00 H new ATOM 1112 N PRO A 73 15.978 5.725 -6.043 1.00 0.00 N ATOM 1113 CA PRO A 73 15.035 5.476 -7.151 1.00 0.00 C ATOM 1114 C PRO A 73 14.463 4.047 -7.191 1.00 0.00 C ATOM 1115 O PRO A 73 15.204 3.087 -7.384 1.00 0.00 O ATOM 1116 CB PRO A 73 15.809 5.849 -8.419 1.00 0.00 C ATOM 1117 CG PRO A 73 17.260 5.563 -8.042 1.00 0.00 C ATOM 1118 CD PRO A 73 17.331 5.975 -6.569 1.00 0.00 C ATOM 0 HA PRO A 73 14.134 6.078 -7.031 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.491 5.253 -9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.662 6.895 -8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.511 4.511 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.955 6.138 -8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.079 5.392 -6.031 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.609 7.024 -6.464 1.00 0.00 H new ATOM 1126 N GLY A 74 13.234 3.952 -6.694 1.00 0.00 N ATOM 1127 CA GLY A 74 12.351 2.775 -6.854 1.00 0.00 C ATOM 1128 C GLY A 74 12.900 1.432 -6.336 1.00 0.00 C ATOM 1129 O GLY A 74 12.852 0.430 -7.055 1.00 0.00 O ATOM 0 H GLY A 74 12.803 4.703 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.411 2.981 -6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.119 2.664 -7.913 1.00 0.00 H new ATOM 1133 N ASN A 75 13.367 1.418 -5.096 1.00 0.00 N ATOM 1134 CA ASN A 75 13.864 0.187 -4.422 1.00 0.00 C ATOM 1135 C ASN A 75 12.732 -0.850 -4.328 1.00 0.00 C ATOM 1136 O ASN A 75 11.596 -0.529 -3.979 1.00 0.00 O ATOM 1137 CB ASN A 75 14.376 0.492 -3.016 1.00 0.00 C ATOM 1138 CG ASN A 75 15.239 1.752 -2.899 1.00 0.00 C ATOM 1139 OD1 ASN A 75 14.735 2.861 -2.791 1.00 0.00 O ATOM 1140 ND2 ASN A 75 16.544 1.591 -2.918 1.00 0.00 N ATOM 0 H ASN A 75 13.420 2.253 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 75 14.688 -0.208 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.520 0.593 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.956 -0.361 -2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.159 2.401 -2.842 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.941 0.656 -3.009 1.00 0.00 H new ATOM 1147 N VAL A 76 13.099 -2.112 -4.585 1.00 0.00 N ATOM 1148 CA VAL A 76 12.120 -3.203 -4.760 1.00 0.00 C ATOM 1149 C VAL A 76 12.596 -4.552 -4.179 1.00 0.00 C ATOM 1150 O VAL A 76 13.788 -4.783 -3.973 1.00 0.00 O ATOM 1151 CB VAL A 76 11.757 -3.269 -6.260 1.00 0.00 C ATOM 1152 CG1 VAL A 76 12.888 -3.778 -7.167 1.00 0.00 C ATOM 1153 CG2 VAL A 76 10.441 -4.012 -6.511 1.00 0.00 C ATOM 0 H VAL A 76 14.071 -2.408 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 76 11.223 -2.987 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 76 11.606 -2.230 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.546 -3.792 -8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.751 -3.117 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.171 -4.786 -6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.232 -4.030 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.523 -5.034 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.630 -3.502 -5.991 1.00 0.00 H new ATOM 1163 N ASP A 77 11.603 -5.363 -3.809 1.00 0.00 N ATOM 1164 CA ASP A 77 11.724 -6.805 -3.462 1.00 0.00 C ATOM 1165 C ASP A 77 12.647 -7.189 -2.289 1.00 0.00 C ATOM 1166 O ASP A 77 13.736 -7.735 -2.454 1.00 0.00 O ATOM 1167 CB ASP A 77 12.019 -7.624 -4.739 1.00 0.00 C ATOM 1168 CG ASP A 77 12.030 -9.138 -4.520 1.00 0.00 C ATOM 1169 OD1 ASP A 77 11.273 -9.617 -3.646 1.00 0.00 O ATOM 1170 OD2 ASP A 77 12.795 -9.810 -5.255 1.00 0.00 O ATOM 0 H ASP A 77 10.642 -5.029 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 77 10.749 -7.066 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.271 -7.382 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.986 -7.318 -5.139 1.00 0.00 H new ATOM 1175 N ASP A 78 11.987 -7.249 -1.133 1.00 0.00 N ATOM 1176 CA ASP A 78 12.507 -7.866 0.094 1.00 0.00 C ATOM 1177 C ASP A 78 11.771 -9.208 0.231 1.00 0.00 C ATOM 1178 O ASP A 78 10.701 -9.283 0.842 1.00 0.00 O ATOM 1179 CB ASP A 78 12.201 -6.923 1.274 1.00 0.00 C ATOM 1180 CG ASP A 78 12.775 -7.416 2.601 1.00 0.00 C ATOM 1181 OD1 ASP A 78 13.946 -7.074 2.866 1.00 0.00 O ATOM 1182 OD2 ASP A 78 12.027 -8.096 3.324 1.00 0.00 O ATOM 0 H ASP A 78 11.051 -6.861 -1.017 1.00 0.00 H new ATOM 0 HA ASP A 78 13.584 -8.032 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.605 -5.935 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.121 -6.812 1.371 1.00 0.00 H new ATOM 1187 N LYS A 79 12.282 -10.167 -0.540 1.00 0.00 N ATOM 1188 CA LYS A 79 11.693 -11.503 -0.825 1.00 0.00 C ATOM 1189 C LYS A 79 10.154 -11.535 -0.699 1.00 0.00 C ATOM 1190 O LYS A 79 9.579 -11.939 0.312 1.00 0.00 O ATOM 1191 CB LYS A 79 12.390 -12.561 0.043 1.00 0.00 C ATOM 1192 CG LYS A 79 12.123 -13.979 -0.469 1.00 0.00 C ATOM 1193 CD LYS A 79 12.851 -15.031 0.372 1.00 0.00 C ATOM 1194 CE LYS A 79 12.606 -16.434 -0.195 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.311 -17.462 0.591 1.00 0.00 N ATOM 0 H LYS A 79 13.173 -10.038 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 79 11.876 -11.739 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.464 -12.374 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.042 -12.474 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.051 -14.177 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.444 -14.057 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.920 -14.819 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.504 -14.984 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.537 -16.645 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.941 -16.473 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.125 -18.400 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.333 -17.273 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.973 -17.440 1.574 1.00 0.00 H new ATOM 1209 N GLY A 80 9.537 -10.913 -1.700 1.00 0.00 N ATOM 1210 CA GLY A 80 8.076 -10.682 -1.750 1.00 0.00 C ATOM 1211 C GLY A 80 7.745 -9.199 -1.501 1.00 0.00 C ATOM 1212 O GLY A 80 7.440 -8.464 -2.433 1.00 0.00 O ATOM 0 H GLY A 80 10.033 -10.547 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.689 -10.987 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.580 -11.300 -1.001 1.00 0.00 H new ATOM 1216 N GLU A 81 7.986 -8.778 -0.253 1.00 0.00 N ATOM 1217 CA GLU A 81 7.673 -7.422 0.243 1.00 0.00 C ATOM 1218 C GLU A 81 8.343 -6.273 -0.528 1.00 0.00 C ATOM 1219 O GLU A 81 9.414 -6.435 -1.116 1.00 0.00 O ATOM 1220 CB GLU A 81 8.044 -7.284 1.724 1.00 0.00 C ATOM 1221 CG GLU A 81 7.087 -8.026 2.652 1.00 0.00 C ATOM 1222 CD GLU A 81 7.358 -7.645 4.112 1.00 0.00 C ATOM 1223 OE1 GLU A 81 6.776 -6.628 4.555 1.00 0.00 O ATOM 1224 OE2 GLU A 81 8.131 -8.373 4.766 1.00 0.00 O ATOM 0 H GLU A 81 8.411 -9.376 0.456 1.00 0.00 H new ATOM 0 HA GLU A 81 6.599 -7.325 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.055 -7.663 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.055 -6.228 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.057 -7.784 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.205 -9.102 2.522 1.00 0.00 H new ATOM 1231 N LEU A 82 7.760 -5.082 -0.401 1.00 0.00 N ATOM 1232 CA LEU A 82 8.340 -3.864 -0.994 1.00 0.00 C ATOM 1233 C LEU A 82 9.095 -3.069 0.075 1.00 0.00 C ATOM 1234 O LEU A 82 8.552 -2.771 1.137 1.00 0.00 O ATOM 1235 CB LEU A 82 7.228 -2.998 -1.607 1.00 0.00 C ATOM 1236 CG LEU A 82 7.734 -1.723 -2.297 1.00 0.00 C ATOM 1237 CD1 LEU A 82 8.509 -2.036 -3.580 1.00 0.00 C ATOM 1238 CD2 LEU A 82 6.579 -0.772 -2.575 1.00 0.00 C ATOM 0 H LEU A 82 6.888 -4.928 0.105 1.00 0.00 H new ATOM 0 HA LEU A 82 9.039 -4.151 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.675 -3.595 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.525 -2.719 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 82 8.429 -1.234 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.849 -1.106 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.371 -2.659 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.860 -2.566 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.957 0.126 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.853 -1.261 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.099 -0.499 -1.636 1.00 0.00 H new ATOM 1250 N VAL A 83 10.372 -2.847 -0.213 1.00 0.00 N ATOM 1251 CA VAL A 83 11.268 -2.000 0.605 1.00 0.00 C ATOM 1252 C VAL A 83 11.887 -0.905 -0.277 1.00 0.00 C ATOM 1253 O VAL A 83 12.568 -1.203 -1.257 1.00 0.00 O ATOM 1254 CB VAL A 83 12.291 -2.864 1.385 1.00 0.00 C ATOM 1255 CG1 VAL A 83 13.349 -3.559 0.513 1.00 0.00 C ATOM 1256 CG2 VAL A 83 12.932 -2.062 2.510 1.00 0.00 C ATOM 0 H VAL A 83 10.832 -3.250 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 83 10.701 -1.483 1.378 1.00 0.00 H new ATOM 0 HB VAL A 83 11.711 -3.681 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.019 -4.139 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.856 -4.223 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.923 -2.808 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.646 -2.690 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.449 -1.198 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.160 -1.723 3.201 1.00 0.00 H new ATOM 1266 N ILE A 84 11.444 0.329 -0.026 1.00 0.00 N ATOM 1267 CA ILE A 84 11.819 1.530 -0.797 1.00 0.00 C ATOM 1268 C ILE A 84 12.334 2.660 0.114 1.00 0.00 C ATOM 1269 O ILE A 84 11.753 2.928 1.155 1.00 0.00 O ATOM 1270 CB ILE A 84 10.642 1.905 -1.724 1.00 0.00 C ATOM 1271 CG1 ILE A 84 11.074 2.957 -2.758 1.00 0.00 C ATOM 1272 CG2 ILE A 84 9.378 2.296 -0.938 1.00 0.00 C ATOM 1273 CD1 ILE A 84 10.092 3.151 -3.913 1.00 0.00 C ATOM 0 H ILE A 84 10.798 0.532 0.737 1.00 0.00 H new ATOM 0 HA ILE A 84 12.674 1.326 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 84 10.358 1.015 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.212 3.912 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.043 2.670 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.580 2.551 -1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.063 1.458 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.595 3.156 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.476 3.911 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.971 2.210 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.127 3.471 -3.520 1.00 0.00 H new ATOM 1285 N GLN A 85 13.369 3.373 -0.339 1.00 0.00 N ATOM 1286 CA GLN A 85 14.103 4.327 0.519 1.00 0.00 C ATOM 1287 C GLN A 85 13.848 5.799 0.187 1.00 0.00 C ATOM 1288 O GLN A 85 14.158 6.273 -0.909 1.00 0.00 O ATOM 1289 CB GLN A 85 15.591 3.960 0.426 1.00 0.00 C ATOM 1290 CG GLN A 85 16.474 4.701 1.430 1.00 0.00 C ATOM 1291 CD GLN A 85 17.934 4.205 1.384 1.00 0.00 C ATOM 1292 OE1 GLN A 85 18.241 3.031 1.219 1.00 0.00 O ATOM 1293 NE2 GLN A 85 18.861 5.111 1.583 1.00 0.00 N ATOM 0 H GLN A 85 13.723 3.313 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 85 13.738 4.235 1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.701 2.887 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.946 4.173 -0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.446 5.770 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.075 4.564 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.599 6.087 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.844 4.839 1.601 1.00 0.00 H new ATOM 1302 N GLY A 86 13.484 6.538 1.235 1.00 0.00 N ATOM 1303 CA GLY A 86 13.165 7.976 1.183 1.00 0.00 C ATOM 1304 C GLY A 86 11.919 8.362 2.001 1.00 0.00 C ATOM 1305 O GLY A 86 11.427 7.562 2.798 1.00 0.00 O ATOM 0 H GLY A 86 13.399 6.147 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.020 8.543 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.012 8.268 0.144 1.00 0.00 H new ATOM 1309 N LYS A 87 11.312 9.477 1.610 1.00 0.00 N ATOM 1310 CA LYS A 87 10.293 10.172 2.433 1.00 0.00 C ATOM 1311 C LYS A 87 8.999 9.430 2.817 1.00 0.00 C ATOM 1312 O LYS A 87 8.426 9.758 3.848 1.00 0.00 O ATOM 1313 CB LYS A 87 9.942 11.551 1.863 1.00 0.00 C ATOM 1314 CG LYS A 87 11.095 12.554 1.989 1.00 0.00 C ATOM 1315 CD LYS A 87 11.388 12.912 3.453 1.00 0.00 C ATOM 1316 CE LYS A 87 12.597 13.843 3.587 1.00 0.00 C ATOM 1317 NZ LYS A 87 12.346 15.162 2.995 1.00 0.00 N ATOM 0 H LYS A 87 11.502 9.934 0.718 1.00 0.00 H new ATOM 0 HA LYS A 87 10.827 10.243 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.669 11.447 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.067 11.942 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.991 12.135 1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.849 13.461 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.512 13.390 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.569 11.999 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.848 13.961 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.461 13.387 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.156 15.786 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.215 15.062 1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.488 15.573 3.415 1.00 0.00 H new ATOM 1331 N PHE A 88 8.610 8.413 2.059 1.00 0.00 N ATOM 1332 CA PHE A 88 7.401 7.596 2.345 1.00 0.00 C ATOM 1333 C PHE A 88 7.448 6.723 3.609 1.00 0.00 C ATOM 1334 O PHE A 88 6.692 5.754 3.734 1.00 0.00 O ATOM 1335 CB PHE A 88 7.060 6.752 1.104 1.00 0.00 C ATOM 1336 CG PHE A 88 6.331 7.449 -0.060 1.00 0.00 C ATOM 1337 CD1 PHE A 88 6.057 8.829 -0.082 1.00 0.00 C ATOM 1338 CD2 PHE A 88 5.863 6.642 -1.107 1.00 0.00 C ATOM 1339 CE1 PHE A 88 5.314 9.378 -1.137 1.00 0.00 C ATOM 1340 CE2 PHE A 88 5.115 7.189 -2.154 1.00 0.00 C ATOM 1341 CZ PHE A 88 4.836 8.565 -2.168 1.00 0.00 C ATOM 0 H PHE A 88 9.114 8.118 1.223 1.00 0.00 H new ATOM 0 HA PHE A 88 6.612 8.315 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.990 6.336 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.446 5.912 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.419 9.465 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.083 5.585 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.109 10.438 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.753 6.555 -2.950 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.255 8.993 -2.972 1.00 0.00 H new ATOM 1351 N SER A 89 8.198 7.160 4.607 1.00 0.00 N ATOM 1352 CA SER A 89 8.368 6.505 5.927 1.00 0.00 C ATOM 1353 C SER A 89 7.138 6.716 6.814 1.00 0.00 C ATOM 1354 O SER A 89 7.042 7.663 7.597 1.00 0.00 O ATOM 1355 CB SER A 89 9.649 7.040 6.596 1.00 0.00 C ATOM 1356 OG SER A 89 9.566 8.452 6.761 1.00 0.00 O ATOM 0 H SER A 89 8.738 8.022 4.532 1.00 0.00 H new ATOM 0 HA SER A 89 8.469 5.429 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.789 6.561 7.565 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.518 6.788 5.988 1.00 0.00 H new ATOM 0 HG SER A 89 8.703 8.684 7.162 1.00 0.00 H new ATOM 1362 N SER A 90 6.186 5.796 6.656 1.00 0.00 N ATOM 1363 CA SER A 90 4.807 5.869 7.209 1.00 0.00 C ATOM 1364 C SER A 90 4.096 7.208 6.885 1.00 0.00 C ATOM 1365 O SER A 90 3.128 7.600 7.531 1.00 0.00 O ATOM 1366 CB SER A 90 4.793 5.572 8.705 1.00 0.00 C ATOM 1367 OG SER A 90 3.803 4.576 8.973 1.00 0.00 O ATOM 0 H SER A 90 6.347 4.942 6.121 1.00 0.00 H new ATOM 0 HA SER A 90 4.231 5.091 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.774 5.224 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.575 6.480 9.267 1.00 0.00 H new ATOM 0 HG SER A 90 4.174 3.688 8.789 1.00 0.00 H new ATOM 1373 N GLN A 91 4.456 7.745 5.720 1.00 0.00 N ATOM 1374 CA GLN A 91 4.076 9.103 5.272 1.00 0.00 C ATOM 1375 C GLN A 91 2.969 9.038 4.193 1.00 0.00 C ATOM 1376 O GLN A 91 2.053 8.245 4.346 1.00 0.00 O ATOM 1377 CB GLN A 91 5.371 9.813 4.853 1.00 0.00 C ATOM 1378 CG GLN A 91 5.219 11.330 4.709 1.00 0.00 C ATOM 1379 CD GLN A 91 6.396 11.929 3.934 1.00 0.00 C ATOM 1380 OE1 GLN A 91 6.525 11.776 2.724 1.00 0.00 O ATOM 1381 NE2 GLN A 91 7.311 12.556 4.636 1.00 0.00 N ATOM 0 H GLN A 91 5.031 7.246 5.041 1.00 0.00 H new ATOM 0 HA GLN A 91 3.619 9.694 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.146 9.602 5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.712 9.399 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.286 11.558 4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.158 11.788 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.189 12.675 5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.144 12.924 4.176 1.00 0.00 H new ATOM 1390 N VAL A 92 3.188 9.639 3.015 1.00 0.00 N ATOM 1391 CA VAL A 92 2.148 9.932 1.995 1.00 0.00 C ATOM 1392 C VAL A 92 1.181 8.776 1.670 1.00 0.00 C ATOM 1393 O VAL A 92 -0.032 9.006 1.683 1.00 0.00 O ATOM 1394 CB VAL A 92 2.813 10.530 0.730 1.00 0.00 C ATOM 1395 CG1 VAL A 92 1.796 10.873 -0.368 1.00 0.00 C ATOM 1396 CG2 VAL A 92 3.585 11.811 1.056 1.00 0.00 C ATOM 0 H VAL A 92 4.117 9.947 2.729 1.00 0.00 H new ATOM 0 HA VAL A 92 1.486 10.672 2.445 1.00 0.00 H new ATOM 0 HB VAL A 92 3.488 9.755 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.318 11.288 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.264 9.970 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.083 11.605 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.039 12.204 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.902 12.552 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.365 11.590 1.784 1.00 0.00 H new ATOM 1406 N ILE A 93 1.683 7.560 1.436 1.00 0.00 N ATOM 1407 CA ILE A 93 0.824 6.377 1.178 1.00 0.00 C ATOM 1408 C ILE A 93 -0.188 6.180 2.331 1.00 0.00 C ATOM 1409 O ILE A 93 -1.390 6.338 2.130 1.00 0.00 O ATOM 1410 CB ILE A 93 1.622 5.077 0.946 1.00 0.00 C ATOM 1411 CG1 ILE A 93 2.772 5.269 -0.052 1.00 0.00 C ATOM 1412 CG2 ILE A 93 0.671 3.995 0.413 1.00 0.00 C ATOM 1413 CD1 ILE A 93 3.794 4.116 -0.036 1.00 0.00 C ATOM 0 H ILE A 93 2.683 7.358 1.418 1.00 0.00 H new ATOM 0 HA ILE A 93 0.291 6.586 0.250 1.00 0.00 H new ATOM 0 HB ILE A 93 2.058 4.781 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.360 5.365 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.286 6.204 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.227 3.072 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.120 3.815 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.231 4.328 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.580 4.316 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.234 4.033 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.293 3.182 -0.290 1.00 0.00 H new ATOM 1425 N ASN A 94 0.352 6.081 3.547 1.00 0.00 N ATOM 1426 CA ASN A 94 -0.410 5.974 4.809 1.00 0.00 C ATOM 1427 C ASN A 94 -1.314 7.197 5.036 1.00 0.00 C ATOM 1428 O ASN A 94 -2.513 7.033 5.221 1.00 0.00 O ATOM 1429 CB ASN A 94 0.601 5.817 5.958 1.00 0.00 C ATOM 1430 CG ASN A 94 -0.021 5.663 7.348 1.00 0.00 C ATOM 1431 OD1 ASN A 94 -1.109 5.138 7.543 1.00 0.00 O ATOM 1432 ND2 ASN A 94 0.698 6.129 8.350 1.00 0.00 N ATOM 0 H ASN A 94 1.361 6.072 3.694 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.071 5.109 4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.225 4.946 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 94 1.259 6.686 5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.349 6.055 9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 94 1.603 6.564 8.170 1.00 0.00 H new ATOM 1439 N THR A 95 -0.784 8.395 4.783 1.00 0.00 N ATOM 1440 CA THR A 95 -1.522 9.675 4.898 1.00 0.00 C ATOM 1441 C THR A 95 -2.797 9.683 4.026 1.00 0.00 C ATOM 1442 O THR A 95 -3.893 9.858 4.553 1.00 0.00 O ATOM 1443 CB THR A 95 -0.608 10.861 4.556 1.00 0.00 C ATOM 1444 OG1 THR A 95 0.602 10.759 5.307 1.00 0.00 O ATOM 1445 CG2 THR A 95 -1.262 12.221 4.847 1.00 0.00 C ATOM 0 H THR A 95 0.185 8.516 4.487 1.00 0.00 H new ATOM 0 HA THR A 95 -1.843 9.778 5.935 1.00 0.00 H new ATOM 0 HB THR A 95 -0.410 10.814 3.485 1.00 0.00 H new ATOM 0 HG1 THR A 95 1.187 11.514 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.569 13.021 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.172 12.321 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.509 12.287 5.907 1.00 0.00 H new ATOM 1453 N LEU A 96 -2.630 9.395 2.729 1.00 0.00 N ATOM 1454 CA LEU A 96 -3.771 9.340 1.792 1.00 0.00 C ATOM 1455 C LEU A 96 -4.728 8.179 2.105 1.00 0.00 C ATOM 1456 O LEU A 96 -5.920 8.404 2.215 1.00 0.00 O ATOM 1457 CB LEU A 96 -3.264 9.303 0.337 1.00 0.00 C ATOM 1458 CG LEU A 96 -4.264 9.953 -0.640 1.00 0.00 C ATOM 1459 CD1 LEU A 96 -3.508 10.416 -1.887 1.00 0.00 C ATOM 1460 CD2 LEU A 96 -5.378 8.996 -1.055 1.00 0.00 C ATOM 0 H LEU A 96 -1.725 9.197 2.302 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.357 10.250 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.307 9.820 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.088 8.269 0.041 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.730 10.795 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.206 10.878 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.746 11.142 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.032 9.559 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.055 9.502 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.945 8.125 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.931 8.676 -0.172 1.00 0.00 H new ATOM 1472 N MET A 97 -4.163 7.012 2.440 1.00 0.00 N ATOM 1473 CA MET A 97 -4.912 5.835 2.946 1.00 0.00 C ATOM 1474 C MET A 97 -5.830 6.215 4.130 1.00 0.00 C ATOM 1475 O MET A 97 -7.034 5.981 4.068 1.00 0.00 O ATOM 1476 CB MET A 97 -3.889 4.765 3.347 1.00 0.00 C ATOM 1477 CG MET A 97 -4.435 3.535 4.078 1.00 0.00 C ATOM 1478 SD MET A 97 -5.591 2.518 3.090 1.00 0.00 S ATOM 1479 CE MET A 97 -5.782 1.147 4.216 1.00 0.00 C ATOM 0 H MET A 97 -3.159 6.848 2.369 1.00 0.00 H new ATOM 0 HA MET A 97 -5.568 5.447 2.167 1.00 0.00 H new ATOM 0 HB2 MET A 97 -3.378 4.427 2.445 1.00 0.00 H new ATOM 0 HB3 MET A 97 -3.137 5.233 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 97 -3.597 2.911 4.389 1.00 0.00 H new ATOM 0 HG3 MET A 97 -4.943 3.863 4.985 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.995 0.239 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.862 1.013 4.786 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.606 1.350 4.900 1.00 0.00 H new ATOM 1489 N GLU A 98 -5.258 6.932 5.098 1.00 0.00 N ATOM 1490 CA GLU A 98 -5.965 7.501 6.258 1.00 0.00 C ATOM 1491 C GLU A 98 -7.093 8.451 5.824 1.00 0.00 C ATOM 1492 O GLU A 98 -8.254 8.092 6.011 1.00 0.00 O ATOM 1493 CB GLU A 98 -4.989 8.237 7.182 1.00 0.00 C ATOM 1494 CG GLU A 98 -4.028 7.278 7.890 1.00 0.00 C ATOM 1495 CD GLU A 98 -2.926 8.055 8.624 1.00 0.00 C ATOM 1496 OE1 GLU A 98 -1.926 8.412 7.949 1.00 0.00 O ATOM 1497 OE2 GLU A 98 -3.129 8.329 9.821 1.00 0.00 O ATOM 0 H GLU A 98 -4.260 7.142 5.101 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.412 6.670 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.416 8.960 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.551 8.801 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.579 6.662 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.580 6.602 7.162 1.00 0.00 H new ATOM 1504 N ARG A 99 -6.775 9.476 5.041 1.00 0.00 N ATOM 1505 CA ARG A 99 -7.752 10.463 4.529 1.00 0.00 C ATOM 1506 C ARG A 99 -8.925 9.820 3.751 1.00 0.00 C ATOM 1507 O ARG A 99 -10.088 10.084 4.064 1.00 0.00 O ATOM 1508 CB ARG A 99 -7.064 11.503 3.643 1.00 0.00 C ATOM 1509 CG ARG A 99 -6.133 12.415 4.445 1.00 0.00 C ATOM 1510 CD ARG A 99 -5.579 13.522 3.553 1.00 0.00 C ATOM 1511 NE ARG A 99 -4.786 14.499 4.320 1.00 0.00 N ATOM 1512 CZ ARG A 99 -5.237 15.415 5.196 1.00 0.00 C ATOM 1513 NH1 ARG A 99 -6.496 15.444 5.622 1.00 0.00 N ATOM 1514 NH2 ARG A 99 -4.386 16.240 5.772 1.00 0.00 N ATOM 0 H ARG A 99 -5.820 9.658 4.733 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.174 10.945 5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.493 10.996 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.819 12.108 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.675 12.852 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.313 11.831 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.958 13.083 2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.403 14.034 3.055 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.777 14.478 4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.165 14.752 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.793 16.158 6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.392 16.182 5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.722 16.937 6.437 1.00 0.00 H new ATOM 1528 N PHE A 100 -8.584 8.880 2.874 1.00 0.00 N ATOM 1529 CA PHE A 100 -9.527 8.063 2.098 1.00 0.00 C ATOM 1530 C PHE A 100 -10.456 7.224 2.997 1.00 0.00 C ATOM 1531 O PHE A 100 -11.666 7.402 2.969 1.00 0.00 O ATOM 1532 CB PHE A 100 -8.713 7.215 1.111 1.00 0.00 C ATOM 1533 CG PHE A 100 -9.520 6.162 0.357 1.00 0.00 C ATOM 1534 CD1 PHE A 100 -10.332 6.520 -0.735 1.00 0.00 C ATOM 1535 CD2 PHE A 100 -9.440 4.821 0.765 1.00 0.00 C ATOM 1536 CE1 PHE A 100 -11.079 5.539 -1.402 1.00 0.00 C ATOM 1537 CE2 PHE A 100 -10.177 3.846 0.081 1.00 0.00 C ATOM 1538 CZ PHE A 100 -11.003 4.207 -0.993 1.00 0.00 C ATOM 0 H PHE A 100 -7.610 8.654 2.673 1.00 0.00 H new ATOM 0 HA PHE A 100 -10.206 8.708 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.241 7.879 0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.911 6.717 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.380 7.549 -1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.815 4.543 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.713 5.814 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.109 2.811 0.382 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.582 3.452 -1.505 1.00 0.00 H new ATOM 1548 N LEU A 101 -9.860 6.428 3.886 1.00 0.00 N ATOM 1549 CA LEU A 101 -10.595 5.616 4.886 1.00 0.00 C ATOM 1550 C LEU A 101 -11.485 6.473 5.807 1.00 0.00 C ATOM 1551 O LEU A 101 -12.680 6.200 5.968 1.00 0.00 O ATOM 1552 CB LEU A 101 -9.583 4.844 5.729 1.00 0.00 C ATOM 1553 CG LEU A 101 -9.639 3.328 5.528 1.00 0.00 C ATOM 1554 CD1 LEU A 101 -9.152 2.918 4.135 1.00 0.00 C ATOM 1555 CD2 LEU A 101 -8.803 2.645 6.615 1.00 0.00 C ATOM 0 H LEU A 101 -8.847 6.320 3.942 1.00 0.00 H new ATOM 0 HA LEU A 101 -11.255 4.937 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.580 5.196 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.755 5.068 6.782 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.678 3.008 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.208 1.834 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.781 3.386 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -8.120 3.242 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.839 1.564 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.770 2.985 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -9.204 2.899 7.596 1.00 0.00 H new ATOM 1567 N LYS A 102 -10.915 7.564 6.286 1.00 0.00 N ATOM 1568 CA LYS A 102 -11.563 8.548 7.166 1.00 0.00 C ATOM 1569 C LYS A 102 -12.534 9.514 6.466 1.00 0.00 C ATOM 1570 O LYS A 102 -13.095 10.374 7.135 1.00 0.00 O ATOM 1571 CB LYS A 102 -10.489 9.355 7.918 1.00 0.00 C ATOM 1572 CG LYS A 102 -9.669 8.501 8.885 1.00 0.00 C ATOM 1573 CD LYS A 102 -8.515 9.312 9.479 1.00 0.00 C ATOM 1574 CE LYS A 102 -7.632 8.450 10.371 1.00 0.00 C ATOM 1575 NZ LYS A 102 -6.542 9.239 10.955 1.00 0.00 N ATOM 0 H LYS A 102 -9.949 7.808 6.070 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.177 7.963 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.819 9.820 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.970 10.161 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.310 8.132 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.276 7.628 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.916 9.738 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.914 10.146 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.233 8.010 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.218 7.626 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.956 8.628 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.957 9.639 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.940 10.011 11.527 1.00 0.00 H new ATOM 1589 N ALA A 103 -12.874 9.257 5.193 1.00 0.00 N ATOM 1590 CA ALA A 103 -13.816 10.085 4.400 1.00 0.00 C ATOM 1591 C ALA A 103 -15.128 10.420 5.124 1.00 0.00 C ATOM 1592 O ALA A 103 -15.489 11.590 5.255 1.00 0.00 O ATOM 1593 CB ALA A 103 -14.147 9.350 3.095 1.00 0.00 C ATOM 0 H ALA A 103 -12.502 8.462 4.674 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.311 11.034 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.839 9.951 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.231 9.188 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.606 8.389 3.325 1.00 0.00 H new ATOM 1599 N TYR A 104 -15.622 9.387 5.823 1.00 0.00 N ATOM 1600 CA TYR A 104 -16.823 9.390 6.678 1.00 0.00 C ATOM 1601 C TYR A 104 -16.847 10.530 7.721 1.00 0.00 C ATOM 1602 O TYR A 104 -17.887 11.131 7.947 1.00 0.00 O ATOM 1603 CB TYR A 104 -16.842 8.028 7.385 1.00 0.00 C ATOM 1604 CG TYR A 104 -18.209 7.633 7.948 1.00 0.00 C ATOM 1605 CD1 TYR A 104 -18.569 8.013 9.247 1.00 0.00 C ATOM 1606 CD2 TYR A 104 -19.044 6.791 7.205 1.00 0.00 C ATOM 1607 CE1 TYR A 104 -19.750 7.512 9.810 1.00 0.00 C ATOM 1608 CE2 TYR A 104 -20.218 6.294 7.773 1.00 0.00 C ATOM 1609 CZ TYR A 104 -20.573 6.652 9.080 1.00 0.00 C ATOM 1610 OH TYR A 104 -21.706 6.143 9.620 1.00 0.00 O ATOM 0 H TYR A 104 -15.169 8.473 5.807 1.00 0.00 H new ATOM 0 HA TYR A 104 -17.702 9.560 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -16.516 7.262 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -16.117 8.043 8.199 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -17.941 8.687 9.810 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -18.780 6.526 6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -20.026 7.793 10.816 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -20.854 5.632 7.204 1.00 0.00 H new ATOM 0 HH TYR A 104 -22.150 5.566 8.964 1.00 0.00 H new