USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 803 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 70 GLN : amide:sc= -1.92 K(o=-2,f=-2.6!) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= -0.0456 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.209 K(o=-0.3,f=-1.7) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -0.0948 USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 GLN : amide:sc= -0.251 K(o=-0.25,f=-3.3!) USER MOD Single : A 21 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.1) USER MOD Single : A 23 ASN : amide:sc=-0.00734 X(o=-0.0073,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=-0.082) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.14 F(o=-2.7!,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.156 F(o=-0.73,f=-0.16) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0976) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.34 K(o=-1.3,f=-5!) USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= -0.221 (180deg=-1.42!) USER MOD Single : A 63 CYS SG : rot -32:sc= 0.531 USER MOD Single : A 65 MET CE :methyl -144:sc= -3.46! (180deg=-4.26!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.692 K(o=-0.69,f=-3.5!) USER MOD Single : A 90 TYR OH : rot -170:sc= -2.55! USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 95 THR OG1 : rot 66:sc= 1.3 USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= -0.527 (180deg=-1.29) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -165:sc=-0.00861 (180deg=-0.146) USER MOD Single : A 107 THR OG1 : rot 79:sc= -0.857 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= -0.186 (180deg=-0.542) USER MOD Single : A 115 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.4!) USER MOD Single : A 116 THR OG1 : rot -150:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -14.155 14.205 4.445 1.00 0.00 N ATOM 296 CA LEU A 18 -14.719 12.896 4.132 1.00 0.00 C ATOM 297 C LEU A 18 -14.009 12.269 2.936 1.00 0.00 C ATOM 298 O LEU A 18 -13.397 11.206 3.051 1.00 0.00 O ATOM 299 CB LEU A 18 -16.216 13.019 3.843 1.00 0.00 C ATOM 300 CG LEU A 18 -16.657 14.288 3.113 1.00 0.00 C ATOM 301 CD1 LEU A 18 -17.438 13.936 1.855 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.490 15.170 4.031 1.00 0.00 C ATOM 0 HA LEU A 18 -14.574 12.249 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.523 12.158 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.754 12.963 4.789 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.766 14.843 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.744 14.851 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.808 13.346 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.322 13.358 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.795 16.068 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.375 14.623 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.897 15.451 4.902 1.00 0.00 H new ATOM 314 N ILE A 19 -14.093 12.935 1.790 1.00 0.00 N ATOM 315 CA ILE A 19 -13.455 12.445 0.574 1.00 0.00 C ATOM 316 C ILE A 19 -11.943 12.361 0.742 1.00 0.00 C ATOM 317 O ILE A 19 -11.302 11.443 0.229 1.00 0.00 O ATOM 318 CB ILE A 19 -13.777 13.347 -0.633 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.245 13.193 -1.036 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.863 13.012 -1.803 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.594 11.807 -1.529 1.00 0.00 C ATOM 0 H ILE A 19 -14.596 13.815 1.677 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.853 11.447 0.389 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.605 14.385 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.875 13.435 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.477 13.917 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.102 13.657 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.825 13.168 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.006 11.970 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.650 11.771 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.989 11.569 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.395 11.080 -0.742 1.00 0.00 H new ATOM 333 N GLU A 20 -11.378 13.322 1.465 1.00 0.00 N ATOM 334 CA GLU A 20 -9.939 13.354 1.702 1.00 0.00 C ATOM 335 C GLU A 20 -9.470 12.068 2.374 1.00 0.00 C ATOM 336 O GLU A 20 -8.553 11.403 1.891 1.00 0.00 O ATOM 337 CB GLU A 20 -9.569 14.561 2.569 1.00 0.00 C ATOM 338 CG GLU A 20 -9.469 15.862 1.791 1.00 0.00 C ATOM 339 CD GLU A 20 -8.517 15.766 0.614 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.423 15.186 0.783 1.00 0.00 O ATOM 341 OE2 GLU A 20 -8.864 16.271 -0.473 1.00 0.00 O ATOM 0 H GLU A 20 -11.894 14.089 1.897 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.439 13.442 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.315 14.675 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.615 14.367 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.459 16.143 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.136 16.656 2.459 1.00 0.00 H new ATOM 348 N GLN A 21 -10.103 11.725 3.491 1.00 0.00 N ATOM 349 CA GLN A 21 -9.750 10.519 4.229 1.00 0.00 C ATOM 350 C GLN A 21 -10.006 9.271 3.391 1.00 0.00 C ATOM 351 O GLN A 21 -9.201 8.341 3.381 1.00 0.00 O ATOM 352 CB GLN A 21 -10.544 10.443 5.535 1.00 0.00 C ATOM 353 CG GLN A 21 -9.940 9.499 6.560 1.00 0.00 C ATOM 354 CD GLN A 21 -10.351 9.838 7.980 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.263 10.635 8.201 1.00 0.00 O ATOM 356 NE2 GLN A 21 -9.678 9.234 8.952 1.00 0.00 N ATOM 0 H GLN A 21 -10.863 12.265 3.904 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.686 10.565 4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.611 11.441 5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.562 10.122 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.245 8.478 6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.853 9.532 6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.929 8.580 8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.910 9.424 9.927 1.00 0.00 H new ATOM 365 N ALA A 22 -11.135 9.259 2.688 1.00 0.00 N ATOM 366 CA ALA A 22 -11.498 8.127 1.845 1.00 0.00 C ATOM 367 C ALA A 22 -10.463 7.906 0.747 1.00 0.00 C ATOM 368 O ALA A 22 -10.025 6.781 0.512 1.00 0.00 O ATOM 369 CB ALA A 22 -12.877 8.341 1.239 1.00 0.00 C ATOM 0 H ALA A 22 -11.813 10.021 2.686 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.523 7.234 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.135 7.488 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.613 8.441 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.872 9.248 0.634 1.00 0.00 H new ATOM 375 N ASN A 23 -10.076 8.988 0.079 1.00 0.00 N ATOM 376 CA ASN A 23 -9.093 8.912 -0.995 1.00 0.00 C ATOM 377 C ASN A 23 -7.751 8.412 -0.470 1.00 0.00 C ATOM 378 O ASN A 23 -7.090 7.589 -1.107 1.00 0.00 O ATOM 379 CB ASN A 23 -8.917 10.283 -1.652 1.00 0.00 C ATOM 380 CG ASN A 23 -9.716 10.415 -2.935 1.00 0.00 C ATOM 381 OD1 ASN A 23 -9.154 10.630 -4.009 1.00 0.00 O ATOM 382 ND2 ASN A 23 -11.033 10.289 -2.829 1.00 0.00 N ATOM 0 H ASN A 23 -10.428 9.927 0.263 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.459 8.204 -1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.226 11.060 -0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.861 10.448 -1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.621 10.370 -3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.457 10.111 -1.918 1.00 0.00 H new ATOM 389 N HIS A 24 -7.353 8.913 0.695 1.00 0.00 N ATOM 390 CA HIS A 24 -6.090 8.515 1.307 1.00 0.00 C ATOM 391 C HIS A 24 -6.113 7.039 1.690 1.00 0.00 C ATOM 392 O HIS A 24 -5.108 6.340 1.561 1.00 0.00 O ATOM 393 CB HIS A 24 -5.807 9.371 2.542 1.00 0.00 C ATOM 394 CG HIS A 24 -5.129 10.669 2.229 1.00 0.00 C ATOM 395 ND1 HIS A 24 -5.652 11.895 2.582 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.962 10.928 1.593 1.00 0.00 C ATOM 397 CE1 HIS A 24 -4.837 12.852 2.176 1.00 0.00 C ATOM 398 NE2 HIS A 24 -3.804 12.293 1.573 1.00 0.00 N ATOM 0 H HIS A 24 -7.886 9.595 1.234 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.295 8.669 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.747 9.576 3.055 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.184 8.803 3.233 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.282 10.198 1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.990 13.912 2.314 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.017 12.793 1.160 1.00 0.00 H new ATOM 406 N ALA A 25 -7.263 6.573 2.161 1.00 0.00 N ATOM 407 CA ALA A 25 -7.416 5.179 2.562 1.00 0.00 C ATOM 408 C ALA A 25 -7.287 4.246 1.363 1.00 0.00 C ATOM 409 O ALA A 25 -6.515 3.286 1.393 1.00 0.00 O ATOM 410 CB ALA A 25 -8.757 4.972 3.251 1.00 0.00 C ATOM 0 H ALA A 25 -8.104 7.139 2.275 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.618 4.939 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.858 3.927 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.813 5.605 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.563 5.235 2.566 1.00 0.00 H new ATOM 416 N ILE A 26 -8.044 4.533 0.311 1.00 0.00 N ATOM 417 CA ILE A 26 -8.013 3.719 -0.898 1.00 0.00 C ATOM 418 C ILE A 26 -6.644 3.778 -1.565 1.00 0.00 C ATOM 419 O ILE A 26 -6.183 2.796 -2.146 1.00 0.00 O ATOM 420 CB ILE A 26 -9.084 4.172 -1.910 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.866 5.636 -2.296 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.477 3.972 -1.331 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.897 6.164 -3.268 1.00 0.00 C ATOM 0 H ILE A 26 -8.687 5.324 0.271 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.223 2.694 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.994 3.563 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.882 6.248 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.875 5.744 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.223 4.296 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.628 2.917 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.580 4.559 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.680 7.207 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.866 5.577 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.889 6.089 -2.823 1.00 0.00 H new ATOM 435 N GLU A 27 -5.996 4.936 -1.475 1.00 0.00 N ATOM 436 CA GLU A 27 -4.678 5.121 -2.069 1.00 0.00 C ATOM 437 C GLU A 27 -3.645 4.226 -1.392 1.00 0.00 C ATOM 438 O GLU A 27 -3.005 3.396 -2.038 1.00 0.00 O ATOM 439 CB GLU A 27 -4.248 6.586 -1.964 1.00 0.00 C ATOM 440 CG GLU A 27 -2.869 6.858 -2.539 1.00 0.00 C ATOM 441 CD GLU A 27 -2.631 8.330 -2.812 1.00 0.00 C ATOM 442 OE1 GLU A 27 -2.967 9.159 -1.941 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.108 8.655 -3.899 1.00 0.00 O ATOM 0 H GLU A 27 -6.363 5.759 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.740 4.843 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.978 7.208 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.261 6.885 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.112 6.494 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.748 6.296 -3.465 1.00 0.00 H new ATOM 450 N LYS A 28 -3.486 4.402 -0.084 1.00 0.00 N ATOM 451 CA LYS A 28 -2.531 3.611 0.684 1.00 0.00 C ATOM 452 C LYS A 28 -2.807 2.119 0.525 1.00 0.00 C ATOM 453 O LYS A 28 -1.912 1.346 0.189 1.00 0.00 O ATOM 454 CB LYS A 28 -2.593 3.997 2.164 1.00 0.00 C ATOM 455 CG LYS A 28 -1.610 3.231 3.033 1.00 0.00 C ATOM 456 CD LYS A 28 -1.846 3.500 4.510 1.00 0.00 C ATOM 457 CE LYS A 28 -1.359 4.884 4.909 1.00 0.00 C ATOM 458 NZ LYS A 28 -2.107 5.417 6.082 1.00 0.00 N ATOM 0 H LYS A 28 -4.006 5.085 0.466 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.532 3.820 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.396 5.065 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.604 3.824 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.705 2.163 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.591 3.514 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.909 3.409 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.331 2.746 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.296 4.841 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.471 5.566 4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.746 6.362 6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.118 5.482 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.979 4.780 6.894 1.00 0.00 H new ATOM 472 N GLY A 29 -4.053 1.723 0.767 1.00 0.00 N ATOM 473 CA GLY A 29 -4.425 0.326 0.643 1.00 0.00 C ATOM 474 C GLY A 29 -4.108 -0.238 -0.728 1.00 0.00 C ATOM 475 O GLY A 29 -3.609 -1.358 -0.844 1.00 0.00 O ATOM 0 H GLY A 29 -4.811 2.345 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.901 -0.255 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.492 0.218 0.839 1.00 0.00 H new ATOM 479 N GLU A 30 -4.401 0.537 -1.767 1.00 0.00 N ATOM 480 CA GLU A 30 -4.146 0.105 -3.136 1.00 0.00 C ATOM 481 C GLU A 30 -2.660 -0.162 -3.355 1.00 0.00 C ATOM 482 O GLU A 30 -2.280 -1.168 -3.957 1.00 0.00 O ATOM 483 CB GLU A 30 -4.637 1.163 -4.128 1.00 0.00 C ATOM 484 CG GLU A 30 -4.245 0.876 -5.567 1.00 0.00 C ATOM 485 CD GLU A 30 -4.714 1.954 -6.526 1.00 0.00 C ATOM 486 OE1 GLU A 30 -4.281 3.115 -6.371 1.00 0.00 O ATOM 487 OE2 GLU A 30 -5.514 1.636 -7.430 1.00 0.00 O ATOM 0 H GLU A 30 -4.815 1.466 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.693 -0.823 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.723 1.234 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.237 2.134 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.161 0.783 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.666 -0.083 -5.870 1.00 0.00 H new ATOM 494 N HIS A 31 -1.823 0.746 -2.864 1.00 0.00 N ATOM 495 CA HIS A 31 -0.378 0.608 -3.005 1.00 0.00 C ATOM 496 C HIS A 31 0.116 -0.665 -2.325 1.00 0.00 C ATOM 497 O HIS A 31 0.865 -1.443 -2.915 1.00 0.00 O ATOM 498 CB HIS A 31 0.332 1.826 -2.412 1.00 0.00 C ATOM 499 CG HIS A 31 1.813 1.826 -2.638 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.731 1.769 -1.612 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.533 1.875 -3.783 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.952 1.784 -2.115 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.860 1.848 -3.431 1.00 0.00 N ATOM 0 H HIS A 31 -2.120 1.585 -2.365 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.146 0.543 -4.068 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.093 2.731 -2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.136 1.864 -1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.137 1.926 -4.787 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.870 1.750 -1.547 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.646 1.873 -4.080 1.00 0.00 H new ATOM 511 N GLN A 32 -0.308 -0.869 -1.083 1.00 0.00 N ATOM 512 CA GLN A 32 0.095 -2.047 -0.322 1.00 0.00 C ATOM 513 C GLN A 32 -0.294 -3.326 -1.057 1.00 0.00 C ATOM 514 O GLN A 32 0.512 -4.249 -1.188 1.00 0.00 O ATOM 515 CB GLN A 32 -0.547 -2.028 1.066 1.00 0.00 C ATOM 516 CG GLN A 32 -0.212 -0.783 1.873 1.00 0.00 C ATOM 517 CD GLN A 32 -0.080 -1.069 3.356 1.00 0.00 C ATOM 518 OE1 GLN A 32 0.714 -2.077 3.697 1.00 0.00 O flip ATOM 519 NE2 GLN A 32 -0.684 -0.389 4.187 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.930 -0.235 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 32 1.179 -2.026 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.629 -2.101 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.222 -2.909 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.720 -0.355 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.989 -0.034 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.284 0.377 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.584 -0.592 5.182 1.00 0.00 H new ATOM 528 N LEU A 33 -1.532 -3.376 -1.534 1.00 0.00 N ATOM 529 CA LEU A 33 -2.029 -4.542 -2.255 1.00 0.00 C ATOM 530 C LEU A 33 -1.180 -4.820 -3.491 1.00 0.00 C ATOM 531 O LEU A 33 -0.766 -5.955 -3.732 1.00 0.00 O ATOM 532 CB LEU A 33 -3.489 -4.333 -2.662 1.00 0.00 C ATOM 533 CG LEU A 33 -4.151 -5.491 -3.409 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.816 -5.431 -4.891 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.717 -6.825 -2.816 1.00 0.00 C ATOM 0 H LEU A 33 -2.211 -2.622 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.964 -5.403 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.070 -4.128 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.547 -3.443 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.231 -5.400 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.296 -6.263 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.176 -4.490 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.736 -5.497 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.198 -7.638 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.635 -6.924 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.008 -6.868 -1.766 1.00 0.00 H new ATOM 547 N LEU A 34 -0.921 -3.777 -4.272 1.00 0.00 N ATOM 548 CA LEU A 34 -0.118 -3.907 -5.483 1.00 0.00 C ATOM 549 C LEU A 34 1.241 -4.525 -5.171 1.00 0.00 C ATOM 550 O LEU A 34 1.654 -5.495 -5.807 1.00 0.00 O ATOM 551 CB LEU A 34 0.069 -2.541 -6.144 1.00 0.00 C ATOM 552 CG LEU A 34 -1.163 -1.955 -6.835 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.970 -0.471 -7.102 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.452 -2.698 -8.131 1.00 0.00 C ATOM 0 H LEU A 34 -1.256 -2.831 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.647 -4.566 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.405 -1.835 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.869 -2.622 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.019 -2.076 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.857 -0.072 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.813 0.051 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.102 -0.327 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.332 -2.267 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.596 -2.609 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.635 -3.750 -7.914 1.00 0.00 H new ATOM 566 N TYR A 35 1.931 -3.957 -4.188 1.00 0.00 N ATOM 567 CA TYR A 35 3.244 -4.452 -3.792 1.00 0.00 C ATOM 568 C TYR A 35 3.147 -5.867 -3.230 1.00 0.00 C ATOM 569 O TYR A 35 3.958 -6.734 -3.557 1.00 0.00 O ATOM 570 CB TYR A 35 3.871 -3.520 -2.753 1.00 0.00 C ATOM 571 CG TYR A 35 5.089 -4.103 -2.074 1.00 0.00 C ATOM 572 CD1 TYR A 35 4.965 -4.881 -0.929 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.365 -3.876 -2.575 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.075 -5.415 -0.304 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.480 -4.407 -1.958 1.00 0.00 C ATOM 576 CZ TYR A 35 7.331 -5.175 -0.823 1.00 0.00 C ATOM 577 OH TYR A 35 8.440 -5.706 -0.205 1.00 0.00 O ATOM 0 H TYR A 35 1.603 -3.154 -3.651 1.00 0.00 H new ATOM 0 HA TYR A 35 3.878 -4.476 -4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.149 -2.584 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.124 -3.278 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.983 -5.071 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.487 -3.273 -3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.961 -6.017 0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.464 -4.222 -2.363 1.00 0.00 H new ATOM 0 HH TYR A 35 9.246 -5.444 -0.697 1.00 0.00 H new ATOM 587 N LEU A 36 2.149 -6.092 -2.383 1.00 0.00 N ATOM 588 CA LEU A 36 1.943 -7.402 -1.774 1.00 0.00 C ATOM 589 C LEU A 36 1.681 -8.463 -2.840 1.00 0.00 C ATOM 590 O LEU A 36 2.021 -9.631 -2.661 1.00 0.00 O ATOM 591 CB LEU A 36 0.773 -7.351 -0.791 1.00 0.00 C ATOM 592 CG LEU A 36 1.144 -7.194 0.685 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.648 -5.858 1.220 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.573 -8.343 1.504 1.00 0.00 C ATOM 0 H LEU A 36 1.470 -5.385 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 36 2.851 -7.671 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.124 -6.522 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.190 -8.265 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 36 2.230 -7.217 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.921 -5.763 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.104 -5.047 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.436 -5.806 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.847 -8.215 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.513 -8.351 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.976 -9.287 1.137 1.00 0.00 H new ATOM 606 N GLN A 37 1.077 -8.044 -3.946 1.00 0.00 N ATOM 607 CA GLN A 37 0.771 -8.958 -5.041 1.00 0.00 C ATOM 608 C GLN A 37 2.012 -9.738 -5.462 1.00 0.00 C ATOM 609 O GLN A 37 1.937 -10.931 -5.756 1.00 0.00 O ATOM 610 CB GLN A 37 0.210 -8.186 -6.236 1.00 0.00 C ATOM 611 CG GLN A 37 -0.728 -9.008 -7.106 1.00 0.00 C ATOM 612 CD GLN A 37 -1.747 -8.154 -7.834 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.575 -7.828 -9.009 1.00 0.00 O ATOM 614 NE2 GLN A 37 -2.818 -7.787 -7.138 1.00 0.00 N ATOM 0 H GLN A 37 0.790 -7.079 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 37 0.021 -9.666 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.322 -7.307 -5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.038 -7.827 -6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.143 -9.569 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.248 -9.737 -6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.920 -8.080 -6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.538 -7.212 -7.576 1.00 0.00 H new ATOM 623 N HIS A 38 3.152 -9.057 -5.488 1.00 0.00 N ATOM 624 CA HIS A 38 4.411 -9.687 -5.872 1.00 0.00 C ATOM 625 C HIS A 38 4.800 -10.776 -4.876 1.00 0.00 C ATOM 626 O HIS A 38 5.048 -11.919 -5.259 1.00 0.00 O ATOM 627 CB HIS A 38 5.522 -8.641 -5.962 1.00 0.00 C ATOM 628 CG HIS A 38 6.548 -8.946 -7.011 1.00 0.00 C ATOM 629 ND1 HIS A 38 7.229 -10.144 -7.072 1.00 0.00 N ATOM 630 CD2 HIS A 38 7.007 -8.202 -8.043 1.00 0.00 C ATOM 631 CE1 HIS A 38 8.062 -10.123 -8.096 1.00 0.00 C ATOM 632 NE2 HIS A 38 7.947 -8.954 -8.703 1.00 0.00 N ATOM 0 H HIS A 38 3.231 -8.069 -5.248 1.00 0.00 H new ATOM 0 HA HIS A 38 4.275 -10.147 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.078 -7.668 -6.172 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.016 -8.563 -4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.692 -7.201 -8.300 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.725 -10.924 -8.388 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.471 -8.659 -9.527 1.00 0.00 H new ATOM 640 N GLN A 39 4.850 -10.412 -3.599 1.00 0.00 N ATOM 641 CA GLN A 39 5.211 -11.357 -2.549 1.00 0.00 C ATOM 642 C GLN A 39 4.338 -12.607 -2.619 1.00 0.00 C ATOM 643 O GLN A 39 4.828 -13.727 -2.474 1.00 0.00 O ATOM 644 CB GLN A 39 5.075 -10.702 -1.174 1.00 0.00 C ATOM 645 CG GLN A 39 5.912 -9.443 -1.015 1.00 0.00 C ATOM 646 CD GLN A 39 7.358 -9.742 -0.673 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.951 -10.684 -1.202 1.00 0.00 O ATOM 648 NE2 GLN A 39 7.935 -8.942 0.215 1.00 0.00 N ATOM 0 H GLN A 39 4.645 -9.470 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 39 6.249 -11.651 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.027 -10.456 -1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.366 -11.421 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.873 -8.867 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.479 -8.820 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.407 -8.174 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.907 -9.096 0.484 1.00 0.00 H new ATOM 657 N LEU A 40 3.044 -12.406 -2.841 1.00 0.00 N ATOM 658 CA LEU A 40 2.102 -13.516 -2.931 1.00 0.00 C ATOM 659 C LEU A 40 2.409 -14.395 -4.139 1.00 0.00 C ATOM 660 O LEU A 40 2.459 -15.620 -4.032 1.00 0.00 O ATOM 661 CB LEU A 40 0.669 -12.989 -3.020 1.00 0.00 C ATOM 662 CG LEU A 40 -0.381 -13.980 -3.525 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.637 -13.908 -2.670 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.711 -13.709 -4.985 1.00 0.00 C ATOM 0 H LEU A 40 2.623 -11.485 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 40 2.205 -14.121 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.368 -12.644 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.663 -12.119 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 40 0.030 -14.987 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.373 -14.620 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.388 -14.152 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.051 -12.901 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.460 -14.423 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.102 -12.697 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.192 -13.812 -5.587 1.00 0.00 H new ATOM 676 N ASP A 41 2.615 -13.761 -5.289 1.00 0.00 N ATOM 677 CA ASP A 41 2.919 -14.485 -6.517 1.00 0.00 C ATOM 678 C ASP A 41 4.115 -15.411 -6.319 1.00 0.00 C ATOM 679 O ASP A 41 4.080 -16.577 -6.712 1.00 0.00 O ATOM 680 CB ASP A 41 3.202 -13.503 -7.656 1.00 0.00 C ATOM 681 CG ASP A 41 3.413 -14.203 -8.984 1.00 0.00 C ATOM 682 OD1 ASP A 41 2.410 -14.487 -9.672 1.00 0.00 O ATOM 683 OD2 ASP A 41 4.582 -14.465 -9.336 1.00 0.00 O ATOM 0 H ASP A 41 2.577 -12.747 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 41 2.051 -15.091 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.370 -12.804 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.087 -12.915 -7.414 1.00 0.00 H new ATOM 688 N GLU A 42 5.171 -14.883 -5.709 1.00 0.00 N ATOM 689 CA GLU A 42 6.379 -15.664 -5.461 1.00 0.00 C ATOM 690 C GLU A 42 6.168 -16.641 -4.308 1.00 0.00 C ATOM 691 O GLU A 42 6.788 -17.704 -4.259 1.00 0.00 O ATOM 692 CB GLU A 42 7.556 -14.738 -5.150 1.00 0.00 C ATOM 693 CG GLU A 42 7.420 -14.002 -3.828 1.00 0.00 C ATOM 694 CD GLU A 42 8.689 -13.273 -3.433 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.698 -13.950 -3.147 1.00 0.00 O ATOM 696 OE2 GLU A 42 8.673 -12.024 -3.408 1.00 0.00 O ATOM 0 H GLU A 42 5.216 -13.919 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 42 6.603 -16.235 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.475 -15.324 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.655 -14.008 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.601 -13.286 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.156 -14.714 -3.046 1.00 0.00 H new ATOM 703 N LEU A 43 5.290 -16.273 -3.382 1.00 0.00 N ATOM 704 CA LEU A 43 4.996 -17.116 -2.227 1.00 0.00 C ATOM 705 C LEU A 43 4.215 -18.357 -2.645 1.00 0.00 C ATOM 706 O LEU A 43 4.336 -19.415 -2.028 1.00 0.00 O ATOM 707 CB LEU A 43 4.203 -16.327 -1.184 1.00 0.00 C ATOM 708 CG LEU A 43 3.784 -17.102 0.066 1.00 0.00 C ATOM 709 CD1 LEU A 43 4.865 -17.019 1.132 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.462 -16.573 0.603 1.00 0.00 C ATOM 0 H LEU A 43 4.769 -15.397 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 43 5.942 -17.435 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.801 -15.471 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.306 -15.933 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 43 3.650 -18.149 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.550 -17.576 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.791 -17.445 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.031 -15.976 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.179 -17.136 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.569 -15.519 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.689 -16.685 -0.158 1.00 0.00 H new ATOM 722 N ASN A 44 3.416 -18.222 -3.698 1.00 0.00 N ATOM 723 CA ASN A 44 2.617 -19.334 -4.199 1.00 0.00 C ATOM 724 C ASN A 44 3.498 -20.537 -4.520 1.00 0.00 C ATOM 725 O ASN A 44 3.148 -21.675 -4.211 1.00 0.00 O ATOM 726 CB ASN A 44 1.841 -18.909 -5.448 1.00 0.00 C ATOM 727 CG ASN A 44 0.470 -19.554 -5.524 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.525 -18.898 -4.937 1.00 0.00 O flip ATOM 729 ND2 ASN A 44 0.308 -20.627 -6.103 1.00 0.00 N flip ATOM 0 H ASN A 44 3.305 -17.353 -4.221 1.00 0.00 H new ATOM 0 HA ASN A 44 1.911 -19.621 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.730 -17.825 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.414 -19.174 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.102 -21.096 -6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.620 -21.048 -6.146 1.00 0.00 H new ATOM 736 N GLU A 45 4.645 -20.275 -5.140 1.00 0.00 N ATOM 737 CA GLU A 45 5.577 -21.337 -5.501 1.00 0.00 C ATOM 738 C GLU A 45 6.579 -21.587 -4.378 1.00 0.00 C ATOM 739 O GLU A 45 6.822 -22.730 -3.993 1.00 0.00 O ATOM 740 CB GLU A 45 6.318 -20.977 -6.791 1.00 0.00 C ATOM 741 CG GLU A 45 5.397 -20.735 -7.975 1.00 0.00 C ATOM 742 CD GLU A 45 6.148 -20.298 -9.218 1.00 0.00 C ATOM 743 OE1 GLU A 45 7.294 -19.820 -9.081 1.00 0.00 O ATOM 744 OE2 GLU A 45 5.589 -20.432 -10.326 1.00 0.00 O ATOM 0 H GLU A 45 4.950 -19.338 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 45 5.004 -22.250 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.917 -20.083 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.011 -21.781 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.843 -21.648 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.664 -19.973 -7.711 1.00 0.00 H new ATOM 751 N ASN A 46 7.157 -20.510 -3.858 1.00 0.00 N ATOM 752 CA ASN A 46 8.135 -20.612 -2.780 1.00 0.00 C ATOM 753 C ASN A 46 7.564 -21.392 -1.600 1.00 0.00 C ATOM 754 O ASN A 46 8.275 -22.151 -0.940 1.00 0.00 O ATOM 755 CB ASN A 46 8.567 -19.217 -2.322 1.00 0.00 C ATOM 756 CG ASN A 46 9.822 -19.251 -1.472 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.299 -20.321 -1.091 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.365 -18.078 -1.172 1.00 0.00 N ATOM 0 H ASN A 46 6.966 -19.556 -4.165 1.00 0.00 H new ATOM 0 HA ASN A 46 9.004 -21.148 -3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.740 -18.588 -3.195 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.759 -18.758 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.211 -18.038 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.936 -17.216 -1.509 1.00 0.00 H new ATOM 765 N LYS A 47 6.275 -21.203 -1.341 1.00 0.00 N ATOM 766 CA LYS A 47 5.605 -21.891 -0.243 1.00 0.00 C ATOM 767 C LYS A 47 6.394 -21.740 1.054 1.00 0.00 C ATOM 768 O LYS A 47 6.382 -22.629 1.905 1.00 0.00 O ATOM 769 CB LYS A 47 5.429 -23.374 -0.575 1.00 0.00 C ATOM 770 CG LYS A 47 4.489 -23.628 -1.742 1.00 0.00 C ATOM 771 CD LYS A 47 3.034 -23.567 -1.309 1.00 0.00 C ATOM 772 CE LYS A 47 2.153 -24.438 -2.192 1.00 0.00 C ATOM 773 NZ LYS A 47 1.036 -25.055 -1.424 1.00 0.00 N ATOM 0 H LYS A 47 5.672 -20.578 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 47 4.624 -21.437 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.404 -23.805 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.050 -23.893 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.669 -22.889 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.700 -24.606 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.948 -23.893 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.684 -22.535 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.746 -23.837 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.758 -25.222 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.340 -25.455 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.409 -25.811 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.578 -24.331 -0.835 1.00 0.00 H new ATOM 787 N SER A 48 7.078 -20.609 1.197 1.00 0.00 N ATOM 788 CA SER A 48 7.874 -20.343 2.390 1.00 0.00 C ATOM 789 C SER A 48 6.976 -20.056 3.590 1.00 0.00 C ATOM 790 O SER A 48 6.115 -19.177 3.540 1.00 0.00 O ATOM 791 CB SER A 48 8.814 -19.161 2.148 1.00 0.00 C ATOM 792 OG SER A 48 10.019 -19.587 1.534 1.00 0.00 O ATOM 0 H SER A 48 7.097 -19.863 0.502 1.00 0.00 H new ATOM 0 HA SER A 48 8.467 -21.232 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.321 -18.423 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.038 -18.670 3.095 1.00 0.00 H new ATOM 0 HG SER A 48 10.603 -18.814 1.388 1.00 0.00 H new ATOM 798 N LYS A 49 7.183 -20.804 4.669 1.00 0.00 N ATOM 799 CA LYS A 49 6.394 -20.630 5.884 1.00 0.00 C ATOM 800 C LYS A 49 6.611 -19.243 6.479 1.00 0.00 C ATOM 801 O LYS A 49 5.681 -18.630 7.002 1.00 0.00 O ATOM 802 CB LYS A 49 6.763 -21.701 6.912 1.00 0.00 C ATOM 803 CG LYS A 49 8.260 -21.890 7.084 1.00 0.00 C ATOM 804 CD LYS A 49 8.749 -23.146 6.382 1.00 0.00 C ATOM 805 CE LYS A 49 10.232 -23.062 6.058 1.00 0.00 C ATOM 806 NZ LYS A 49 10.612 -23.987 4.955 1.00 0.00 N ATOM 0 H LYS A 49 7.890 -21.537 4.727 1.00 0.00 H new ATOM 0 HA LYS A 49 5.341 -20.733 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.326 -21.434 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.318 -22.650 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.785 -21.022 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.500 -21.949 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.562 -24.014 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.183 -23.294 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.485 -22.039 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.813 -23.301 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.631 -23.900 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.394 -24.965 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.077 -23.743 4.097 1.00 0.00 H new ATOM 820 N GLU A 50 7.844 -18.753 6.395 1.00 0.00 N ATOM 821 CA GLU A 50 8.182 -17.437 6.926 1.00 0.00 C ATOM 822 C GLU A 50 7.575 -16.333 6.066 1.00 0.00 C ATOM 823 O GLU A 50 6.968 -15.392 6.580 1.00 0.00 O ATOM 824 CB GLU A 50 9.700 -17.266 7.000 1.00 0.00 C ATOM 825 CG GLU A 50 10.404 -17.504 5.674 1.00 0.00 C ATOM 826 CD GLU A 50 11.774 -18.130 5.846 1.00 0.00 C ATOM 827 OE1 GLU A 50 11.844 -19.291 6.302 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.777 -17.460 5.523 1.00 0.00 O ATOM 0 H GLU A 50 8.625 -19.247 5.964 1.00 0.00 H new ATOM 0 HA GLU A 50 7.767 -17.361 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.927 -16.258 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.099 -17.956 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.788 -18.152 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.505 -16.556 5.145 1.00 0.00 H new ATOM 835 N LEU A 51 7.744 -16.452 4.753 1.00 0.00 N ATOM 836 CA LEU A 51 7.214 -15.464 3.820 1.00 0.00 C ATOM 837 C LEU A 51 5.692 -15.398 3.902 1.00 0.00 C ATOM 838 O LEU A 51 5.101 -14.326 3.775 1.00 0.00 O ATOM 839 CB LEU A 51 7.646 -15.799 2.391 1.00 0.00 C ATOM 840 CG LEU A 51 7.204 -14.814 1.309 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.750 -13.424 1.597 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.657 -15.293 -0.064 1.00 0.00 C ATOM 0 H LEU A 51 8.244 -17.223 4.311 1.00 0.00 H new ATOM 0 HA LEU A 51 7.616 -14.489 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.734 -15.869 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.258 -16.785 2.137 1.00 0.00 H new ATOM 0 HG LEU A 51 6.115 -14.762 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.425 -12.736 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.378 -13.080 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.839 -13.458 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.334 -14.580 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.744 -15.374 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.218 -16.269 -0.272 1.00 0.00 H new ATOM 854 N GLN A 52 5.066 -16.551 4.116 1.00 0.00 N ATOM 855 CA GLN A 52 3.614 -16.623 4.215 1.00 0.00 C ATOM 856 C GLN A 52 3.124 -15.977 5.507 1.00 0.00 C ATOM 857 O GLN A 52 2.233 -15.128 5.489 1.00 0.00 O ATOM 858 CB GLN A 52 3.149 -18.080 4.152 1.00 0.00 C ATOM 859 CG GLN A 52 1.676 -18.262 4.480 1.00 0.00 C ATOM 860 CD GLN A 52 1.436 -18.549 5.949 1.00 0.00 C ATOM 861 OE1 GLN A 52 2.375 -18.785 6.709 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.172 -18.529 6.357 1.00 0.00 N ATOM 0 H GLN A 52 5.542 -17.447 4.224 1.00 0.00 H new ATOM 0 HA GLN A 52 3.190 -16.076 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.342 -18.471 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.744 -18.673 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.131 -17.362 4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.273 -19.081 3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.575 -18.329 5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.051 -18.714 7.335 1.00 0.00 H new ATOM 871 N GLU A 53 3.712 -16.384 6.628 1.00 0.00 N ATOM 872 CA GLU A 53 3.334 -15.844 7.928 1.00 0.00 C ATOM 873 C GLU A 53 3.572 -14.338 7.982 1.00 0.00 C ATOM 874 O GLU A 53 2.868 -13.611 8.683 1.00 0.00 O ATOM 875 CB GLU A 53 4.123 -16.537 9.042 1.00 0.00 C ATOM 876 CG GLU A 53 3.418 -17.751 9.623 1.00 0.00 C ATOM 877 CD GLU A 53 3.862 -18.062 11.039 1.00 0.00 C ATOM 878 OE1 GLU A 53 3.813 -17.149 11.889 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.260 -19.217 11.297 1.00 0.00 O ATOM 0 H GLU A 53 4.452 -17.086 6.661 1.00 0.00 H new ATOM 0 HA GLU A 53 2.270 -16.031 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.094 -16.843 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.313 -15.820 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.341 -17.580 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.610 -18.616 8.988 1.00 0.00 H new ATOM 886 N LYS A 54 4.571 -13.876 7.238 1.00 0.00 N ATOM 887 CA LYS A 54 4.904 -12.458 7.200 1.00 0.00 C ATOM 888 C LYS A 54 3.886 -11.683 6.370 1.00 0.00 C ATOM 889 O LYS A 54 3.339 -10.676 6.822 1.00 0.00 O ATOM 890 CB LYS A 54 6.307 -12.257 6.622 1.00 0.00 C ATOM 891 CG LYS A 54 7.420 -12.625 7.587 1.00 0.00 C ATOM 892 CD LYS A 54 7.585 -11.577 8.674 1.00 0.00 C ATOM 893 CE LYS A 54 8.528 -10.466 8.239 1.00 0.00 C ATOM 894 NZ LYS A 54 7.815 -9.394 7.489 1.00 0.00 N ATOM 0 H LYS A 54 5.164 -14.464 6.653 1.00 0.00 H new ATOM 0 HA LYS A 54 4.881 -12.078 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.408 -12.857 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.423 -11.214 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.203 -13.591 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.356 -12.733 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.612 -11.153 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.969 -12.048 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.011 -10.036 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.317 -10.884 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.253 -8.474 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.878 -9.583 6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.816 -9.375 7.776 1.00 0.00 H new ATOM 908 N ILE A 55 3.635 -12.158 5.154 1.00 0.00 N ATOM 909 CA ILE A 55 2.681 -11.510 4.263 1.00 0.00 C ATOM 910 C ILE A 55 1.291 -11.460 4.888 1.00 0.00 C ATOM 911 O ILE A 55 0.676 -10.397 4.976 1.00 0.00 O ATOM 912 CB ILE A 55 2.595 -12.235 2.907 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.928 -12.129 2.163 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.466 -11.656 2.067 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.095 -13.164 1.071 1.00 0.00 C ATOM 0 H ILE A 55 4.079 -12.989 4.764 1.00 0.00 H new ATOM 0 HA ILE A 55 3.041 -10.494 4.101 1.00 0.00 H new ATOM 0 HB ILE A 55 2.383 -13.289 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.013 -11.134 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.744 -12.233 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.418 -12.179 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.520 -11.778 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.650 -10.596 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.062 -13.029 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.043 -14.163 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.301 -13.047 0.334 1.00 0.00 H new ATOM 927 N ILE A 56 0.802 -12.617 5.323 1.00 0.00 N ATOM 928 CA ILE A 56 -0.514 -12.705 5.943 1.00 0.00 C ATOM 929 C ILE A 56 -0.636 -11.735 7.115 1.00 0.00 C ATOM 930 O ILE A 56 -1.699 -11.162 7.351 1.00 0.00 O ATOM 931 CB ILE A 56 -0.808 -14.132 6.440 1.00 0.00 C ATOM 932 CG1 ILE A 56 -2.222 -14.213 7.021 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.221 -14.554 7.478 1.00 0.00 C ATOM 934 CD1 ILE A 56 -3.300 -13.798 6.045 1.00 0.00 C ATOM 0 H ILE A 56 1.298 -13.506 5.257 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.242 -12.439 5.177 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.744 -14.816 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.414 -15.235 7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.280 -13.578 7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.000 -15.565 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.216 -14.531 7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.185 -13.869 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.276 -13.880 6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.133 -12.766 5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.269 -14.448 5.171 1.00 0.00 H new ATOM 946 N ARG A 57 0.462 -11.556 7.843 1.00 0.00 N ATOM 947 CA ARG A 57 0.478 -10.656 8.990 1.00 0.00 C ATOM 948 C ARG A 57 0.304 -9.207 8.545 1.00 0.00 C ATOM 949 O ARG A 57 -0.574 -8.498 9.037 1.00 0.00 O ATOM 950 CB ARG A 57 1.788 -10.809 9.766 1.00 0.00 C ATOM 951 CG ARG A 57 1.629 -11.529 11.094 1.00 0.00 C ATOM 952 CD ARG A 57 1.121 -12.950 10.900 1.00 0.00 C ATOM 953 NE ARG A 57 -0.064 -13.224 11.708 1.00 0.00 N ATOM 954 CZ ARG A 57 -0.576 -14.437 11.874 1.00 0.00 C ATOM 955 NH1 ARG A 57 -0.011 -15.484 11.288 1.00 0.00 N ATOM 956 NH2 ARG A 57 -1.657 -14.607 12.625 1.00 0.00 N ATOM 0 H ARG A 57 1.351 -12.022 7.659 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.355 -10.921 9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.503 -11.354 9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.211 -9.821 9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.587 -11.552 11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.935 -10.977 11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.887 -13.110 9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.909 -13.656 11.162 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.524 -12.440 12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.819 -15.358 10.708 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.406 -16.415 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.096 -13.804 13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.049 -15.540 12.751 1.00 0.00 H new ATOM 970 N GLU A 58 1.148 -8.773 7.613 1.00 0.00 N ATOM 971 CA GLU A 58 1.087 -7.408 7.104 1.00 0.00 C ATOM 972 C GLU A 58 -0.249 -7.143 6.416 1.00 0.00 C ATOM 973 O GLU A 58 -0.870 -6.099 6.624 1.00 0.00 O ATOM 974 CB GLU A 58 2.235 -7.153 6.126 1.00 0.00 C ATOM 975 CG GLU A 58 2.728 -5.716 6.126 1.00 0.00 C ATOM 976 CD GLU A 58 3.273 -5.286 4.778 1.00 0.00 C ATOM 977 OE1 GLU A 58 3.560 -6.169 3.944 1.00 0.00 O ATOM 978 OE2 GLU A 58 3.412 -4.064 4.557 1.00 0.00 O ATOM 0 H GLU A 58 1.881 -9.347 7.196 1.00 0.00 H new ATOM 0 HA GLU A 58 1.182 -6.728 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.066 -7.813 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.909 -7.416 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.909 -5.055 6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.506 -5.603 6.881 1.00 0.00 H new ATOM 985 N LEU A 59 -0.685 -8.093 5.597 1.00 0.00 N ATOM 986 CA LEU A 59 -1.947 -7.963 4.878 1.00 0.00 C ATOM 987 C LEU A 59 -3.127 -7.958 5.844 1.00 0.00 C ATOM 988 O LEU A 59 -4.136 -7.295 5.604 1.00 0.00 O ATOM 989 CB LEU A 59 -2.103 -9.104 3.871 1.00 0.00 C ATOM 990 CG LEU A 59 -2.889 -8.776 2.601 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.849 -9.947 1.632 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.327 -8.413 2.942 1.00 0.00 C ATOM 0 H LEU A 59 -0.183 -8.962 5.414 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.935 -7.013 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.109 -9.444 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.593 -9.939 4.372 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.423 -7.916 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.413 -9.696 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.815 -10.161 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.290 -10.825 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.871 -8.183 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.805 -9.253 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.337 -7.543 3.598 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.992 -8.699 6.939 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.045 -8.778 7.943 1.00 0.00 C ATOM 1006 C ASP A 60 -4.231 -7.434 8.643 1.00 0.00 C ATOM 1007 O ASP A 60 -5.337 -6.895 8.690 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.718 -9.861 8.973 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.746 -9.934 10.084 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.902 -10.311 9.800 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.394 -9.615 11.239 1.00 0.00 O ATOM 0 H ASP A 60 -2.163 -9.253 7.153 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.975 -9.037 7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.659 -10.828 8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.736 -9.664 9.403 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.141 -6.900 9.184 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.184 -5.619 9.881 1.00 0.00 C ATOM 1018 C VAL A 61 -3.632 -4.500 8.948 1.00 0.00 C ATOM 1019 O VAL A 61 -4.398 -3.619 9.338 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.810 -5.258 10.476 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -0.739 -5.275 9.395 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.866 -3.901 11.160 1.00 0.00 C ATOM 0 H VAL A 61 -2.218 -7.333 9.154 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.906 -5.723 10.691 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.549 -6.006 11.224 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.225 -5.018 9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.683 -6.270 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.991 -4.549 8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.887 -3.662 11.575 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.148 -3.139 10.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.603 -3.928 11.963 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.148 -4.541 7.709 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.500 -3.531 6.718 1.00 0.00 C ATOM 1034 C VAL A 62 -4.975 -3.619 6.344 1.00 0.00 C ATOM 1035 O VAL A 62 -5.713 -2.639 6.456 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.648 -3.677 5.443 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.168 -2.759 4.346 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.186 -3.387 5.743 1.00 0.00 C ATOM 0 H VAL A 62 -2.512 -5.262 7.369 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.301 -2.559 7.170 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.725 -4.706 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.554 -2.875 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.201 -3.019 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.122 -1.724 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.599 -3.495 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.087 -2.369 6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.822 -4.089 6.494 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.398 -4.797 5.898 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.787 -5.012 5.506 1.00 0.00 C ATOM 1050 C CYS A 63 -7.727 -4.760 6.680 1.00 0.00 C ATOM 1051 O CYS A 63 -8.892 -4.411 6.490 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.974 -6.436 4.983 1.00 0.00 C ATOM 1053 SG CYS A 63 -7.111 -7.688 6.280 1.00 0.00 S ATOM 0 H CYS A 63 -4.800 -5.617 5.799 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.030 -4.306 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.871 -6.469 4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.132 -6.688 4.338 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.397 -7.330 7.306 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.215 -4.941 7.892 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.010 -4.734 9.097 1.00 0.00 C ATOM 1061 C ALA A 64 -8.271 -3.250 9.332 1.00 0.00 C ATOM 1062 O ALA A 64 -9.420 -2.816 9.403 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.312 -5.346 10.302 1.00 0.00 C ATOM 0 H ALA A 64 -6.253 -5.231 8.066 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.971 -5.229 8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.917 -5.184 11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.181 -6.416 10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.337 -4.877 10.435 1.00 0.00 H new ATOM 1069 N MET A 65 -7.197 -2.477 9.455 1.00 0.00 N ATOM 1070 CA MET A 65 -7.312 -1.040 9.682 1.00 0.00 C ATOM 1071 C MET A 65 -8.029 -0.362 8.520 1.00 0.00 C ATOM 1072 O MET A 65 -8.765 0.607 8.712 1.00 0.00 O ATOM 1073 CB MET A 65 -5.926 -0.421 9.875 1.00 0.00 C ATOM 1074 CG MET A 65 -5.140 -0.277 8.581 1.00 0.00 C ATOM 1075 SD MET A 65 -3.501 0.429 8.841 1.00 0.00 S ATOM 1076 CE MET A 65 -2.608 -1.002 9.442 1.00 0.00 C ATOM 0 H MET A 65 -6.238 -2.820 9.401 1.00 0.00 H new ATOM 0 HA MET A 65 -7.900 -0.885 10.587 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.036 0.561 10.335 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.356 -1.037 10.571 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.040 -1.255 8.110 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.698 0.354 7.889 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.889 -0.690 10.199 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.310 -1.712 9.879 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.081 -1.476 8.614 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.808 -0.874 7.314 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.434 -0.317 6.121 1.00 0.00 C ATOM 1088 C ILE A 66 -9.929 -0.615 6.094 1.00 0.00 C ATOM 1089 O ILE A 66 -10.744 0.273 5.844 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.788 -0.868 4.837 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.722 0.100 4.319 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.849 -1.113 3.774 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.653 0.424 5.339 1.00 0.00 C ATOM 0 H ILE A 66 -7.200 -1.674 7.137 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.282 0.762 6.160 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.307 -1.818 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.251 -0.330 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.205 1.025 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.377 -1.502 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.575 -1.836 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.356 -0.176 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.932 1.115 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.112 0.884 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.144 -0.493 5.636 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.281 -1.870 6.355 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.679 -2.284 6.362 1.00 0.00 C ATOM 1107 C GLU A 67 -12.477 -1.493 7.392 1.00 0.00 C ATOM 1108 O GLU A 67 -13.570 -1.005 7.107 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.788 -3.783 6.656 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.619 -4.659 5.427 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.523 -6.133 5.771 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -12.367 -6.615 6.554 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -10.604 -6.804 5.256 1.00 0.00 O ATOM 0 H GLU A 67 -9.618 -2.617 6.564 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.095 -2.083 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.032 -4.056 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.760 -3.987 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.462 -4.501 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.720 -4.356 4.890 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.921 -1.369 8.595 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.595 -0.635 9.651 1.00 0.00 C ATOM 1122 C GLY A 68 -12.711 0.844 9.346 1.00 0.00 C ATOM 1123 O GLY A 68 -13.793 1.423 9.448 1.00 0.00 O ATOM 0 H GLY A 68 -11.017 -1.763 8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.591 -1.051 9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.051 -0.768 10.586 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.594 1.460 8.972 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.576 2.882 8.651 1.00 0.00 C ATOM 1129 C ALA A 69 -12.525 3.196 7.499 1.00 0.00 C ATOM 1130 O ALA A 69 -13.229 4.206 7.521 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.162 3.327 8.310 1.00 0.00 C ATOM 0 H ALA A 69 -10.690 0.996 8.884 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.917 3.433 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.163 4.391 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.508 3.146 9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.801 2.763 7.450 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.537 2.327 6.494 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.399 2.513 5.333 1.00 0.00 C ATOM 1139 C GLN A 70 -14.869 2.431 5.727 1.00 0.00 C ATOM 1140 O GLN A 70 -15.656 3.326 5.421 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.085 1.465 4.265 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.022 1.907 3.271 1.00 0.00 C ATOM 1143 CD GLN A 70 -11.798 0.893 2.167 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -10.660 0.525 1.869 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -12.882 0.434 1.554 1.00 0.00 N ATOM 0 H GLN A 70 -11.959 1.487 6.460 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.207 3.505 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.755 0.548 4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.000 1.225 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.316 2.860 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.084 2.076 3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.805 0.766 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.792 -0.251 0.804 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.235 1.349 6.408 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.611 1.169 6.832 1.00 0.00 C ATOM 1156 C GLY A 71 -17.126 2.343 7.641 1.00 0.00 C ATOM 1157 O GLY A 71 -18.185 2.894 7.341 1.00 0.00 O ATOM 0 H GLY A 71 -14.603 0.594 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.243 1.031 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.689 0.259 7.427 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.377 2.726 8.670 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.764 3.842 9.523 1.00 0.00 C ATOM 1163 C ALA A 72 -16.798 5.149 8.737 1.00 0.00 C ATOM 1164 O ALA A 72 -17.813 5.845 8.714 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.811 3.959 10.704 1.00 0.00 C ATOM 0 H ALA A 72 -15.498 2.279 8.933 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.769 3.648 9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.112 4.797 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.840 3.039 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.798 4.125 10.339 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.682 5.476 8.095 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.582 6.700 7.308 1.00 0.00 C ATOM 1173 C LEU A 73 -16.735 6.803 6.314 1.00 0.00 C ATOM 1174 O LEU A 73 -17.469 7.791 6.301 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.247 6.745 6.564 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.915 8.060 5.859 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -13.434 9.097 6.863 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -12.868 7.837 4.778 1.00 0.00 C ATOM 0 H LEU A 73 -14.833 4.910 8.104 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.638 7.547 7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.450 6.526 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.240 5.947 5.822 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.822 8.435 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.202 10.027 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.215 9.279 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.539 8.729 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.644 8.784 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.959 7.438 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.249 7.128 4.043 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.890 5.775 5.485 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.955 5.750 4.491 1.00 0.00 C ATOM 1192 C GLU A 74 -19.315 5.982 5.142 1.00 0.00 C ATOM 1193 O GLU A 74 -20.076 6.853 4.721 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.956 4.413 3.745 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.967 4.358 2.593 1.00 0.00 C ATOM 1196 CD GLU A 74 -15.633 4.992 2.938 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -15.553 6.238 2.945 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -14.670 4.242 3.200 1.00 0.00 O ATOM 0 H GLU A 74 -16.291 4.949 5.483 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.771 6.555 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.725 3.614 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.958 4.221 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.808 3.319 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.394 4.866 1.728 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.613 5.196 6.172 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.880 5.314 6.881 1.00 0.00 C ATOM 1207 C ARG A 75 -21.050 6.715 7.464 1.00 0.00 C ATOM 1208 O ARG A 75 -22.170 7.191 7.643 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.963 4.272 7.998 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.343 2.884 7.510 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.820 2.800 7.160 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.244 1.428 6.897 1.00 0.00 N ATOM 1213 CZ ARG A 75 -22.948 0.769 5.783 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -22.230 1.353 4.833 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -23.369 -0.478 5.615 1.00 0.00 N ATOM 0 H ARG A 75 -18.993 4.471 6.533 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.684 5.137 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.000 4.218 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.694 4.601 8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -20.746 2.629 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -21.109 2.150 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.410 3.211 7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.020 3.415 6.283 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.798 0.950 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -21.903 2.311 4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -22.004 0.844 3.978 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.921 -0.932 6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -23.140 -0.982 4.758 1.00 0.00 H new ATOM 1229 N GLU A 76 -19.930 7.367 7.757 1.00 0.00 N ATOM 1230 CA GLU A 76 -19.954 8.712 8.320 1.00 0.00 C ATOM 1231 C GLU A 76 -20.244 9.750 7.239 1.00 0.00 C ATOM 1232 O GLU A 76 -21.172 10.549 7.362 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.622 9.028 9.002 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.703 10.177 9.994 1.00 0.00 C ATOM 1235 CD GLU A 76 -17.556 10.175 10.985 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -16.388 10.182 10.543 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -17.827 10.165 12.204 1.00 0.00 O ATOM 0 H GLU A 76 -18.995 6.986 7.614 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.752 8.753 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.268 8.136 9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.881 9.269 8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.707 11.122 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.647 10.118 10.536 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.442 9.731 6.180 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.610 10.669 5.076 1.00 0.00 C ATOM 1246 C LEU A 77 -20.929 10.425 4.349 1.00 0.00 C ATOM 1247 O LEU A 77 -21.457 11.315 3.683 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.444 10.546 4.093 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.153 9.140 3.569 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -18.960 8.862 2.310 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.665 8.967 3.300 1.00 0.00 C ATOM 0 H LEU A 77 -18.669 9.076 6.063 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.625 11.678 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.644 11.195 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.544 10.924 4.578 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.449 8.421 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.740 7.857 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.024 8.942 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.696 9.588 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.477 7.960 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.343 9.695 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.108 9.122 4.224 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.458 9.214 4.486 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.718 8.853 3.847 1.00 0.00 C ATOM 1265 C LYS A 78 -23.841 9.785 4.291 1.00 0.00 C ATOM 1266 O LYS A 78 -24.848 9.932 3.599 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.084 7.403 4.177 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.606 6.404 3.137 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.638 6.203 2.040 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.060 5.432 0.864 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.887 3.987 1.181 1.00 0.00 N ATOM 0 H LYS A 78 -21.034 8.466 5.034 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.591 8.954 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.657 7.140 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.167 7.323 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.671 6.753 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.395 5.449 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.497 5.666 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.000 7.173 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.717 5.539 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.097 5.861 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -22.491 3.495 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.240 3.884 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.810 3.571 1.422 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.074 15.683 -4.657 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.476 16.739 -5.465 1.00 0.00 C ATOM 1356 C ASN A 83 -23.657 16.151 -6.609 1.00 0.00 C ATOM 1357 O ASN A 83 -23.240 14.993 -6.556 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.590 17.634 -4.596 1.00 0.00 C ATOM 1359 CG ASN A 83 -24.251 18.959 -4.269 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.572 19.238 -3.114 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.458 19.784 -5.288 1.00 0.00 N ATOM 0 HA ASN A 83 -25.282 17.338 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.349 17.113 -3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.648 17.819 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.899 20.690 -5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -24.176 19.512 -6.230 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.431 16.955 -7.642 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.660 16.515 -8.798 1.00 0.00 C ATOM 1370 C ILE A 84 -21.235 16.144 -8.400 1.00 0.00 C ATOM 1371 O ILE A 84 -20.785 15.023 -8.639 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.610 17.602 -9.888 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.026 18.008 -10.300 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -21.823 17.107 -11.093 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.069 19.223 -11.200 1.00 0.00 C ATOM 0 H ILE A 84 -23.771 17.915 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.164 15.635 -9.197 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.105 18.479 -9.483 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.501 17.171 -10.811 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.613 18.209 -9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -21.796 17.886 -11.855 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.805 16.863 -10.788 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.303 16.217 -11.500 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.104 19.453 -11.452 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -23.624 20.074 -10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.510 19.019 -12.113 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.531 17.091 -7.790 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.157 16.863 -7.356 1.00 0.00 C ATOM 1389 C LEU A 85 -19.096 15.769 -6.296 1.00 0.00 C ATOM 1390 O LEU A 85 -18.266 14.863 -6.373 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.554 18.156 -6.807 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.046 18.329 -6.997 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.290 17.217 -6.287 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.696 18.355 -8.478 1.00 0.00 C ATOM 0 H LEU A 85 -20.889 18.024 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.578 16.538 -8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.058 18.998 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.774 18.212 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.748 19.281 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.219 17.355 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.518 17.245 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.590 16.253 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.619 18.479 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.006 17.419 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.211 19.186 -8.959 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.980 15.859 -5.308 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.026 14.875 -4.232 1.00 0.00 C ATOM 1408 C GLU A 86 -20.273 13.475 -4.786 1.00 0.00 C ATOM 1409 O GLU A 86 -19.675 12.500 -4.329 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.120 15.238 -3.225 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.813 16.487 -2.418 1.00 0.00 C ATOM 1412 CD GLU A 86 -21.603 16.555 -1.125 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.812 16.243 -1.153 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -21.013 16.920 -0.087 1.00 0.00 O ATOM 0 H GLU A 86 -20.674 16.603 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.060 14.882 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.060 15.382 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.266 14.401 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.747 16.515 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.033 17.368 -3.021 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.160 13.384 -5.772 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.488 12.103 -6.387 1.00 0.00 C ATOM 1423 C ARG A 87 -20.287 11.537 -7.138 1.00 0.00 C ATOM 1424 O ARG A 87 -19.970 10.353 -7.022 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.673 12.261 -7.344 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.040 10.981 -8.076 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.423 11.073 -8.701 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.689 9.960 -9.608 1.00 0.00 N ATOM 1429 CZ ARG A 87 -25.865 9.750 -10.188 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -26.879 10.573 -9.956 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -26.030 8.715 -11.001 1.00 0.00 N ATOM 0 H ARG A 87 -21.664 14.181 -6.162 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.760 11.407 -5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.539 12.609 -6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.437 13.033 -8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.302 10.780 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.009 10.142 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -25.176 11.087 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.513 12.013 -9.245 1.00 0.00 H new ATOM 0 HE ARG A 87 -23.930 9.308 -9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -26.757 11.370 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -27.781 10.409 -10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -25.253 8.079 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -26.934 8.555 -11.446 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.622 12.389 -7.910 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.456 11.974 -8.682 1.00 0.00 C ATOM 1447 C PHE A 88 -17.370 11.415 -7.768 1.00 0.00 C ATOM 1448 O PHE A 88 -16.912 10.288 -7.948 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.905 13.152 -9.487 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.593 12.859 -10.157 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.424 11.702 -10.902 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.530 13.740 -10.044 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.218 11.429 -11.519 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.321 13.472 -10.660 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.165 12.316 -11.399 1.00 0.00 C ATOM 0 H PHE A 88 -19.870 13.372 -8.018 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.768 11.188 -9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.635 13.437 -10.245 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.782 14.009 -8.824 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.244 11.006 -11.001 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.647 14.646 -9.468 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.098 10.523 -12.095 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.500 14.166 -10.563 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.222 12.106 -11.882 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.961 12.214 -6.787 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.928 11.800 -5.845 1.00 0.00 C ATOM 1467 C ASN A 89 -16.343 10.533 -5.103 1.00 0.00 C ATOM 1468 O ASN A 89 -15.545 9.613 -4.929 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.644 12.921 -4.843 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.113 14.174 -5.512 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.152 14.301 -6.737 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.613 15.107 -4.711 1.00 0.00 N ATOM 0 H ASN A 89 -17.329 13.151 -6.624 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.021 11.587 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.559 13.161 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.921 12.571 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.241 15.971 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.601 14.960 -3.702 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.599 10.493 -4.669 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.120 9.340 -3.944 1.00 0.00 C ATOM 1481 C TYR A 90 -18.086 8.089 -4.816 1.00 0.00 C ATOM 1482 O TYR A 90 -17.689 7.015 -4.364 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.550 9.612 -3.476 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.628 10.304 -2.134 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.752 11.333 -1.811 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.574 9.929 -1.190 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.817 11.969 -0.586 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.648 10.560 0.037 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.768 11.579 0.334 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.837 12.209 1.556 1.00 0.00 O ATOM 0 H TYR A 90 -18.274 11.245 -4.807 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.486 9.171 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.057 10.225 -4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.091 8.667 -3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.007 11.641 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.264 9.130 -1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.128 12.766 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.391 10.257 0.760 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.448 11.718 2.143 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.506 8.236 -6.069 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.524 7.118 -7.004 1.00 0.00 C ATOM 1502 C GLU A 91 -17.125 6.536 -7.184 1.00 0.00 C ATOM 1503 O GLU A 91 -16.913 5.338 -7.002 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.080 7.566 -8.358 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.628 6.424 -9.198 1.00 0.00 C ATOM 1506 CD GLU A 91 -18.568 5.785 -10.075 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -17.766 6.530 -10.675 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -18.543 4.539 -10.161 1.00 0.00 O ATOM 0 H GLU A 91 -18.838 9.118 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.170 6.343 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.872 8.297 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.292 8.071 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -20.055 5.667 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.438 6.795 -9.826 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.176 7.394 -7.542 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.798 6.965 -7.748 1.00 0.00 C ATOM 1517 C GLU A 92 -14.213 6.378 -6.466 1.00 0.00 C ATOM 1518 O GLU A 92 -13.607 5.308 -6.481 1.00 0.00 O ATOM 1519 CB GLU A 92 -13.939 8.138 -8.223 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.492 7.765 -8.496 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.655 8.951 -8.931 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -11.641 9.254 -10.143 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -11.014 9.577 -8.062 1.00 0.00 O ATOM 0 H GLU A 92 -16.336 8.390 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.798 6.191 -8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.376 8.552 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.966 8.925 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.057 7.329 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.458 6.998 -9.270 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.400 7.090 -5.360 1.00 0.00 N ATOM 1531 CA ALA A 93 -13.893 6.640 -4.068 1.00 0.00 C ATOM 1532 C ALA A 93 -14.320 5.205 -3.781 1.00 0.00 C ATOM 1533 O ALA A 93 -13.492 4.356 -3.450 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.373 7.567 -2.962 1.00 0.00 C ATOM 0 H ALA A 93 -14.898 7.980 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.804 6.667 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.988 7.220 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.013 8.578 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.463 7.568 -2.936 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.616 4.940 -3.908 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.151 3.607 -3.660 1.00 0.00 C ATOM 1542 C GLN A 94 -15.620 2.608 -4.681 1.00 0.00 C ATOM 1543 O GLN A 94 -15.368 1.446 -4.358 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.681 3.633 -3.701 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.331 2.559 -2.844 1.00 0.00 C ATOM 1546 CD GLN A 94 -18.567 3.014 -1.418 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -17.633 3.407 -0.716 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -19.819 2.963 -0.978 1.00 0.00 N ATOM 0 H GLN A 94 -16.315 5.631 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.826 3.291 -2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.028 4.611 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.011 3.512 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -19.282 2.269 -3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.698 1.672 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.562 2.631 -1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -20.037 3.256 -0.026 1.00 0.00 H new ATOM 1557 N THR A 95 -15.451 3.066 -5.918 1.00 0.00 N ATOM 1558 CA THR A 95 -14.951 2.213 -6.988 1.00 0.00 C ATOM 1559 C THR A 95 -13.586 1.633 -6.636 1.00 0.00 C ATOM 1560 O THR A 95 -13.377 0.421 -6.710 1.00 0.00 O ATOM 1561 CB THR A 95 -14.841 2.984 -8.316 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.119 3.514 -8.683 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.324 2.080 -9.426 1.00 0.00 C ATOM 0 H THR A 95 -15.654 4.024 -6.203 1.00 0.00 H new ATOM 0 HA THR A 95 -15.669 1.401 -7.106 1.00 0.00 H new ATOM 0 HB THR A 95 -14.135 3.803 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.390 4.195 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.255 2.647 -10.354 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.338 1.702 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.009 1.243 -9.562 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.659 2.503 -6.252 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.312 2.077 -5.888 1.00 0.00 C ATOM 1573 C LEU A 96 -11.331 1.251 -4.606 1.00 0.00 C ATOM 1574 O LEU A 96 -10.672 0.216 -4.512 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.401 3.293 -5.710 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.094 4.092 -6.978 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.270 5.326 -6.645 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.370 3.222 -7.994 1.00 0.00 C ATOM 0 H LEU A 96 -12.815 3.509 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.924 1.455 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.861 3.964 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.458 2.956 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.037 4.418 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.061 5.882 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.826 5.959 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.331 5.022 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.160 3.807 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.434 2.865 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.997 2.370 -8.256 1.00 0.00 H new ATOM 1590 N SER A 97 -12.093 1.715 -3.620 1.00 0.00 N ATOM 1591 CA SER A 97 -12.197 1.020 -2.342 1.00 0.00 C ATOM 1592 C SER A 97 -12.711 -0.404 -2.538 1.00 0.00 C ATOM 1593 O SER A 97 -12.210 -1.347 -1.925 1.00 0.00 O ATOM 1594 CB SER A 97 -13.128 1.783 -1.397 1.00 0.00 C ATOM 1595 OG SER A 97 -14.371 1.120 -1.259 1.00 0.00 O ATOM 0 H SER A 97 -12.647 2.569 -3.682 1.00 0.00 H new ATOM 0 HA SER A 97 -11.201 0.972 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.656 1.884 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.291 2.791 -1.778 1.00 0.00 H new ATOM 0 HG SER A 97 -14.946 1.627 -0.649 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.714 -0.551 -3.397 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.296 -1.858 -3.677 1.00 0.00 C ATOM 1603 C LYS A 98 -13.294 -2.758 -4.392 1.00 0.00 C ATOM 1604 O LYS A 98 -13.067 -3.897 -3.983 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.558 -1.705 -4.528 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.817 -1.467 -3.712 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.068 -1.794 -4.510 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.604 -0.569 -5.235 1.00 0.00 C ATOM 1609 NZ LYS A 98 -17.631 -0.046 -6.234 1.00 0.00 N ATOM 0 H LYS A 98 -14.141 0.219 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.560 -2.322 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.421 -0.874 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.690 -2.603 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.789 -2.079 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.852 -0.426 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.844 -2.577 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.834 -2.187 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.538 -0.823 -5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.834 0.211 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.142 0.463 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.967 0.603 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.103 -0.838 -6.652 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.697 -2.240 -5.459 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.717 -2.997 -6.229 1.00 0.00 C ATOM 1625 C ILE A 99 -10.560 -3.455 -5.347 1.00 0.00 C ATOM 1626 O ILE A 99 -10.161 -4.620 -5.383 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.157 -2.167 -7.400 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.287 -1.753 -8.346 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.094 -2.957 -8.149 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.004 -0.472 -9.100 1.00 0.00 C ATOM 0 H ILE A 99 -12.874 -1.299 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.235 -3.869 -6.628 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.695 -1.265 -6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.463 -2.556 -9.062 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.205 -1.632 -7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.708 -2.357 -8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.279 -3.206 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.532 -3.875 -8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.847 -0.239 -9.751 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.857 0.343 -8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.104 -0.595 -9.702 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.027 -2.533 -4.554 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.916 -2.842 -3.660 1.00 0.00 C ATOM 1644 C LEU A 100 -9.324 -3.889 -2.629 1.00 0.00 C ATOM 1645 O LEU A 100 -8.575 -4.827 -2.352 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.436 -1.573 -2.953 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.268 -1.747 -1.982 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.769 -2.201 -0.621 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.255 -2.738 -2.538 1.00 0.00 C ATOM 0 H LEU A 100 -10.346 -1.565 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.100 -3.246 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.147 -0.846 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.277 -1.146 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.774 -0.783 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.924 -2.320 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.455 -1.456 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.288 -3.154 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.431 -2.849 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.736 -3.704 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.872 -2.371 -3.490 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.514 -3.723 -2.063 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.023 -4.655 -1.063 1.00 0.00 C ATOM 1663 C LEU A 101 -11.064 -6.077 -1.615 1.00 0.00 C ATOM 1664 O LEU A 101 -10.640 -7.024 -0.953 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.419 -4.232 -0.606 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.475 -3.251 0.565 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.909 -2.829 0.841 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.850 -3.869 1.808 1.00 0.00 C ATOM 0 H LEU A 101 -11.145 -2.951 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.347 -4.636 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.936 -3.784 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.976 -5.128 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.903 -2.363 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.928 -2.131 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.323 -2.346 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.506 -3.707 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.898 -3.157 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.395 -4.774 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.809 -4.119 1.606 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.576 -6.218 -2.833 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.670 -7.523 -3.476 1.00 0.00 C ATOM 1682 C LYS A 102 -10.284 -8.116 -3.710 1.00 0.00 C ATOM 1683 O LYS A 102 -9.988 -9.224 -3.261 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.418 -7.405 -4.806 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.757 -8.747 -5.433 1.00 0.00 C ATOM 1686 CD LYS A 102 -12.904 -8.635 -6.942 1.00 0.00 C ATOM 1687 CE LYS A 102 -11.565 -8.377 -7.615 1.00 0.00 C ATOM 1688 NZ LYS A 102 -11.533 -8.906 -9.007 1.00 0.00 N ATOM 0 H LYS A 102 -11.932 -5.445 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.222 -8.189 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.339 -6.844 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.811 -6.829 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.976 -9.469 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.684 -9.127 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.339 -9.554 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.595 -7.827 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.366 -7.305 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.770 -8.841 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.604 -8.710 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.698 -9.933 -8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.275 -8.445 -9.571 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.439 -7.371 -4.414 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.083 -7.822 -4.705 1.00 0.00 C ATOM 1704 C ASP A 103 -7.348 -8.199 -3.423 1.00 0.00 C ATOM 1705 O ASP A 103 -6.732 -9.263 -3.337 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.309 -6.733 -5.450 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.576 -6.751 -6.942 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.507 -7.843 -7.545 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.855 -5.673 -7.507 1.00 0.00 O ATOM 0 H ASP A 103 -9.669 -6.453 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.149 -8.707 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.581 -5.758 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.241 -6.864 -5.273 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.416 -7.320 -2.429 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.756 -7.561 -1.150 1.00 0.00 C ATOM 1716 C LEU A 104 -7.236 -8.867 -0.526 1.00 0.00 C ATOM 1717 O LEU A 104 -6.431 -9.711 -0.132 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.019 -6.397 -0.192 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.137 -6.342 1.056 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -4.676 -6.184 0.669 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.575 -5.206 1.969 1.00 0.00 C ATOM 0 H LEU A 104 -7.921 -6.435 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.684 -7.640 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.894 -5.464 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.061 -6.442 0.126 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.249 -7.281 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.063 -6.147 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.368 -7.031 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.547 -5.261 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.936 -5.182 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.493 -4.259 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.610 -5.363 2.274 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.552 -9.027 -0.441 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.141 -10.232 0.132 1.00 0.00 C ATOM 1735 C LYS A 105 -8.629 -11.479 -0.581 1.00 0.00 C ATOM 1736 O LYS A 105 -8.356 -12.499 0.052 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.668 -10.171 0.042 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.311 -9.361 1.154 1.00 0.00 C ATOM 1739 CD LYS A 105 -11.415 -10.165 2.440 1.00 0.00 C ATOM 1740 CE LYS A 105 -12.629 -11.082 2.428 1.00 0.00 C ATOM 1741 NZ LYS A 105 -13.899 -10.322 2.588 1.00 0.00 N ATOM 0 H LYS A 105 -9.232 -8.337 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.847 -10.287 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.950 -9.741 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.066 -11.186 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.726 -8.459 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.305 -9.039 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.511 -10.759 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.479 -9.486 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.654 -11.639 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.540 -11.813 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.669 -10.979 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.791 -9.622 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.126 -9.834 1.698 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.500 -11.390 -1.901 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.020 -12.513 -2.698 1.00 0.00 C ATOM 1757 C GLU A 106 -6.566 -12.834 -2.364 1.00 0.00 C ATOM 1758 O GLU A 106 -6.183 -14.001 -2.263 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.155 -12.201 -4.190 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.339 -13.437 -5.056 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.657 -14.140 -4.798 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.681 -13.440 -4.646 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -9.666 -15.386 -4.748 1.00 0.00 O ATOM 0 H GLU A 106 -8.721 -10.553 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.631 -13.384 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.005 -11.534 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.267 -11.664 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.284 -13.151 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.519 -14.131 -4.871 1.00 0.00 H new ATOM 1770 N THR A 107 -5.759 -11.792 -2.195 1.00 0.00 N ATOM 1771 CA THR A 107 -4.347 -11.963 -1.874 1.00 0.00 C ATOM 1772 C THR A 107 -4.169 -12.671 -0.536 1.00 0.00 C ATOM 1773 O THR A 107 -3.477 -13.685 -0.448 1.00 0.00 O ATOM 1774 CB THR A 107 -3.614 -10.609 -1.827 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.559 -9.537 -1.925 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.601 -10.502 -2.957 1.00 0.00 C ATOM 0 H THR A 107 -6.059 -10.820 -2.275 1.00 0.00 H new ATOM 0 HA THR A 107 -3.915 -12.575 -2.666 1.00 0.00 H new ATOM 0 HB THR A 107 -3.084 -10.541 -0.877 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.986 -9.397 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.096 -9.537 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.866 -11.302 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.114 -10.590 -3.915 1.00 0.00 H new ATOM 1784 N GLU A 108 -4.798 -12.129 0.502 1.00 0.00 N ATOM 1785 CA GLU A 108 -4.707 -12.711 1.837 1.00 0.00 C ATOM 1786 C GLU A 108 -5.214 -14.150 1.838 1.00 0.00 C ATOM 1787 O GLU A 108 -4.586 -15.039 2.411 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.508 -11.875 2.838 1.00 0.00 C ATOM 1789 CG GLU A 108 -6.958 -11.666 2.433 1.00 0.00 C ATOM 1790 CD GLU A 108 -7.679 -10.683 3.334 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.377 -9.474 3.256 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -8.546 -11.123 4.118 1.00 0.00 O ATOM 0 H GLU A 108 -5.375 -11.290 0.445 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.658 -12.713 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.478 -12.363 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.028 -10.903 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.996 -11.306 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.479 -12.623 2.455 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.356 -14.370 1.194 1.00 0.00 N ATOM 1800 CA GLN A 109 -6.948 -15.700 1.122 1.00 0.00 C ATOM 1801 C GLN A 109 -5.958 -16.707 0.546 1.00 0.00 C ATOM 1802 O GLN A 109 -5.728 -17.768 1.125 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.218 -15.671 0.269 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.198 -16.785 0.597 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.576 -16.541 0.015 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.844 -16.879 -1.138 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.460 -15.952 0.811 1.00 0.00 N ATOM 0 H GLN A 109 -6.889 -13.644 0.715 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.206 -16.010 2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.715 -14.710 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.941 -15.741 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.809 -17.729 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.278 -16.886 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.195 -15.688 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.404 -15.763 0.473 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.374 -16.367 -0.597 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.407 -17.239 -1.252 1.00 0.00 C ATOM 1818 C LYS A 110 -3.235 -17.546 -0.325 1.00 0.00 C ATOM 1819 O LYS A 110 -2.844 -18.702 -0.163 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.895 -16.592 -2.541 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.827 -16.776 -3.725 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.399 -15.924 -4.910 1.00 0.00 C ATOM 1823 CE LYS A 110 -4.982 -16.448 -6.213 1.00 0.00 C ATOM 1824 NZ LYS A 110 -4.989 -15.405 -7.275 1.00 0.00 N ATOM 0 H LYS A 110 -5.554 -15.492 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.909 -18.175 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.746 -15.526 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.921 -17.014 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.842 -17.826 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.843 -16.511 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.721 -14.894 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.311 -15.911 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.402 -17.307 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.000 -16.798 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.394 -15.801 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.563 -14.596 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.015 -15.089 -7.457 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.680 -16.503 0.285 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.555 -16.662 1.199 1.00 0.00 C ATOM 1840 C VAL A 111 -1.888 -17.646 2.314 1.00 0.00 C ATOM 1841 O VAL A 111 -1.056 -18.467 2.703 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.144 -15.316 1.823 1.00 0.00 C ATOM 1843 CG1 VAL A 111 0.020 -15.504 2.783 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.792 -14.311 0.736 1.00 0.00 C ATOM 0 H VAL A 111 -2.991 -15.539 0.163 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.723 -17.051 0.612 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.990 -14.925 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.296 -14.541 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.272 -16.188 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.872 -15.918 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.504 -13.365 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.038 -14.694 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.657 -14.153 0.092 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.111 -17.560 2.827 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.557 -18.443 3.897 1.00 0.00 C ATOM 1856 C LYS A 112 -3.788 -19.857 3.376 1.00 0.00 C ATOM 1857 O LYS A 112 -3.606 -20.835 4.102 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.843 -17.904 4.528 1.00 0.00 C ATOM 1859 CG LYS A 112 -4.673 -16.549 5.194 1.00 0.00 C ATOM 1860 CD LYS A 112 -5.864 -15.645 4.930 1.00 0.00 C ATOM 1861 CE LYS A 112 -6.909 -15.763 6.029 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.277 -17.181 6.295 1.00 0.00 N ATOM 0 H LYS A 112 -3.812 -16.886 2.518 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.774 -18.478 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.611 -17.827 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.203 -18.620 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.548 -16.684 6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.765 -16.073 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.528 -14.611 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.313 -15.904 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.527 -15.309 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.800 -15.204 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.135 -17.213 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.455 -17.668 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.498 -17.654 6.796 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.188 -19.958 2.112 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.441 -21.254 1.492 1.00 0.00 C ATOM 1878 C ASP A 113 -3.152 -22.059 1.366 1.00 0.00 C ATOM 1879 O ASP A 113 -3.133 -23.264 1.617 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.078 -21.068 0.114 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.470 -22.385 -0.526 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.532 -22.930 -0.160 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.713 -22.871 -1.393 1.00 0.00 O ATOM 0 H ASP A 113 -4.344 -19.159 1.498 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.130 -21.806 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.961 -20.436 0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.379 -20.544 -0.538 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.075 -21.383 0.975 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.782 -22.035 0.816 1.00 0.00 C ATOM 1890 C ILE A 114 -0.355 -22.730 2.104 1.00 0.00 C ATOM 1891 O ILE A 114 -0.084 -22.078 3.113 1.00 0.00 O ATOM 1892 CB ILE A 114 0.309 -21.029 0.403 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.243 -20.761 -1.102 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.684 -21.548 0.794 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.360 -19.418 -1.450 1.00 0.00 C ATOM 0 H ILE A 114 -2.074 -20.385 0.763 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.898 -22.777 0.026 1.00 0.00 H new ATOM 0 HB ILE A 114 0.134 -20.090 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.249 -20.817 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.343 -21.548 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.444 -20.826 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.725 -21.692 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.870 -22.498 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.375 -19.296 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.378 -19.365 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.238 -18.624 -1.003 1.00 0.00 H new ATOM 1907 N GLN A 115 -0.294 -24.058 2.062 1.00 0.00 N ATOM 1908 CA GLN A 115 0.102 -24.841 3.226 1.00 0.00 C ATOM 1909 C GLN A 115 1.597 -24.698 3.496 1.00 0.00 C ATOM 1910 O GLN A 115 2.422 -24.897 2.604 1.00 0.00 O ATOM 1911 CB GLN A 115 -0.251 -26.315 3.020 1.00 0.00 C ATOM 1912 CG GLN A 115 0.318 -26.904 1.738 1.00 0.00 C ATOM 1913 CD GLN A 115 1.065 -28.201 1.974 1.00 0.00 C ATOM 1914 OE1 GLN A 115 0.833 -28.894 2.965 1.00 0.00 O ATOM 1915 NE2 GLN A 115 1.968 -28.539 1.060 1.00 0.00 N ATOM 0 H GLN A 115 -0.514 -24.613 1.235 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.443 -24.461 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.118 -26.890 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.336 -26.422 3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.493 -27.080 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.990 -26.180 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.128 -27.935 0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.501 -29.402 1.164 1.00 0.00 H new ATOM 1924 N THR A 116 1.939 -24.350 4.733 1.00 0.00 N ATOM 1925 CA THR A 116 3.333 -24.178 5.120 1.00 0.00 C ATOM 1926 C THR A 116 3.589 -24.738 6.514 1.00 0.00 C ATOM 1927 O THR A 116 2.661 -25.156 7.204 1.00 0.00 O ATOM 1928 CB THR A 116 3.746 -22.694 5.092 1.00 0.00 C ATOM 1929 OG1 THR A 116 2.985 -21.956 6.054 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.534 -22.101 3.707 1.00 0.00 C ATOM 0 H THR A 116 1.269 -24.182 5.484 1.00 0.00 H new ATOM 0 HA THR A 116 3.932 -24.728 4.394 1.00 0.00 H new ATOM 0 HB THR A 116 4.805 -22.629 5.340 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.873 -21.033 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.832 -21.053 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.137 -22.647 2.981 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.481 -22.178 3.436 1.00 0.00 H new ATOM 1938 N GLN A 117 4.855 -24.743 6.922 1.00 0.00 N ATOM 1939 CA GLN A 117 5.232 -25.252 8.236 1.00 0.00 C ATOM 1940 C GLN A 117 4.467 -24.530 9.339 1.00 0.00 C ATOM 1941 O GLN A 117 4.342 -23.304 9.323 1.00 0.00 O ATOM 1942 CB GLN A 117 6.738 -25.094 8.453 1.00 0.00 C ATOM 1943 CG GLN A 117 7.277 -25.929 9.604 1.00 0.00 C ATOM 1944 CD GLN A 117 8.661 -25.494 10.043 1.00 0.00 C ATOM 1945 OE1 GLN A 117 8.864 -24.349 10.449 1.00 0.00 O ATOM 1946 NE2 GLN A 117 9.621 -26.406 9.965 1.00 0.00 N ATOM 0 H GLN A 117 5.636 -24.401 6.362 1.00 0.00 H new ATOM 0 HA GLN A 117 4.976 -26.311 8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.260 -25.372 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.962 -24.044 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.593 -25.859 10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.308 -26.977 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.408 -27.343 9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.572 -26.170 10.248 1.00 0.00 H new