USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 hydrogens (21 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 93 AAR HA : A 93 AAR CA : A 93 AAR N :(H bumps) USER MOD NoAdj-H: A 93 AAR H2 : A 93 AAR N : A 92 ARG C :(H bumps) USER MOD NoAdj-H: A 93 AAR H : A 93 AAR NT : A 93 AAR C :(H bumps) USER MOD Set 1.1: A 43 ASN :FLIP amide:sc= 0.522 F(o=-2.6,f=-1.8) USER MOD Set 1.2: A 71 HIS : no HE2:sc= -2.27 K(o=-1.8,f=-9.2!) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.4) USER MOD Single : A 10 SER OG : rot 170:sc= 0 USER MOD Single : A 11 TYR OH : rot 162:sc= -0.823! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 17 SER OG : rot -100:sc= 0.988 USER MOD Single : A 26 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 28 TYR OH : rot 50:sc= 0.328 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.12) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -7.37! C(o=-7.4!,f=-12!) USER MOD Single : A 50 SER OG : rot -41:sc= 1.33 USER MOD Single : A 52 HIS : no HE2:sc= 0.522 K(o=0.52,f=-1.7!) USER MOD Single : A 54 SER OG : rot 172:sc= -0.806! USER MOD Single : A 55 HIS :FLIP no HE2:sc= 0.478 F(o=-2!,f=0.48) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 59 ASN : amide:sc= -0.038 K(o=-0.038,f=-1.7!) USER MOD Single : A 60 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.071) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0951 USER MOD Single : A 70 SER OG : rot 51:sc= 0.0824 USER MOD Single : A 73 TYR OH : rot 37:sc= -1.41! USER MOD Single : A 74 THR OG1 : rot 120:sc= -0.476! USER MOD Single : A 78 ASN : amide:sc= -3.23 K(o=-3.2,f=-4.3!) USER MOD Single : A 79 ASN : amide:sc= -0.835 K(o=-0.83,f=-1.4!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -155:sc= 0.851 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -0.052 -3.335 9.327 1.00 0.00 N HETATM 2 CA PCA A 1 -0.209 -1.916 8.949 1.00 0.00 C HETATM 3 CB PCA A 1 -1.276 -1.283 9.848 1.00 0.00 C HETATM 4 CG PCA A 1 -1.584 -2.343 10.861 1.00 0.00 C HETATM 5 CD PCA A 1 -0.819 -3.557 10.373 1.00 0.00 C HETATM 6 OE PCA A 1 -1.143 -4.689 10.735 1.00 0.00 O HETATM 7 C PCA A 1 1.112 -1.174 9.094 1.00 0.00 C HETATM 8 O PCA A 1 1.428 -0.667 10.175 1.00 0.00 O HETATM 0 H2 PCA A 1 -0.963 -3.825 9.222 1.00 0.00 H new HETATM 0 HA PCA A 1 -0.518 -1.849 7.906 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -0.907 -0.374 10.323 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -2.164 -1.007 9.278 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -1.263 -2.045 11.859 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -2.654 -2.542 10.916 1.00 0.00 H new ATOM 15 N ALA A 2 1.872 -1.125 7.995 1.00 0.00 N ATOM 16 CA ALA A 2 3.200 -0.504 7.960 1.00 0.00 C ATOM 17 C ALA A 2 4.203 -1.337 8.755 1.00 0.00 C ATOM 18 O ALA A 2 3.881 -1.862 9.824 1.00 0.00 O ATOM 19 CB ALA A 2 3.159 0.934 8.467 1.00 0.00 C ATOM 0 H ALA A 2 1.581 -1.517 7.100 1.00 0.00 H new ATOM 0 HA ALA A 2 3.527 -0.473 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.160 1.363 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.487 1.522 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.800 0.947 9.496 1.00 0.00 H new ATOM 25 N GLN A 3 5.411 -1.456 8.209 1.00 0.00 N ATOM 26 CA GLN A 3 6.474 -2.289 8.770 1.00 0.00 C ATOM 27 C GLN A 3 6.151 -3.764 8.524 1.00 0.00 C ATOM 28 O GLN A 3 5.009 -4.194 8.698 1.00 0.00 O ATOM 29 CB GLN A 3 6.678 -1.979 10.261 1.00 0.00 C ATOM 30 CG GLN A 3 8.032 -2.397 10.816 1.00 0.00 C ATOM 31 CD GLN A 3 8.132 -3.881 11.110 1.00 0.00 C ATOM 32 OE1 GLN A 3 7.140 -4.532 11.435 1.00 0.00 O ATOM 33 NE2 GLN A 3 9.334 -4.420 11.012 1.00 0.00 N ATOM 0 H GLN A 3 5.683 -0.971 7.354 1.00 0.00 H new ATOM 0 HA GLN A 3 7.417 -2.063 8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.552 -0.908 10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.896 -2.479 10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.809 -2.123 10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.229 -1.839 11.731 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.130 -3.844 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.466 -5.412 11.209 1.00 0.00 H new ATOM 42 N ALA A 4 7.161 -4.518 8.085 1.00 0.00 N ATOM 43 CA ALA A 4 6.982 -5.913 7.676 1.00 0.00 C ATOM 44 C ALA A 4 6.017 -6.001 6.497 1.00 0.00 C ATOM 45 O ALA A 4 4.913 -6.543 6.606 1.00 0.00 O ATOM 46 CB ALA A 4 6.513 -6.775 8.840 1.00 0.00 C ATOM 0 H ALA A 4 8.120 -4.182 8.003 1.00 0.00 H new ATOM 0 HA ALA A 4 7.949 -6.301 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.390 -7.804 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.253 -6.741 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.560 -6.398 9.211 1.00 0.00 H new ATOM 52 N LEU A 5 6.449 -5.450 5.371 1.00 0.00 N ATOM 53 CA LEU A 5 5.639 -5.405 4.159 1.00 0.00 C ATOM 54 C LEU A 5 6.083 -6.508 3.205 1.00 0.00 C ATOM 55 O LEU A 5 6.644 -7.522 3.630 1.00 0.00 O ATOM 56 CB LEU A 5 5.774 -4.037 3.455 1.00 0.00 C ATOM 57 CG LEU A 5 5.438 -2.788 4.282 1.00 0.00 C ATOM 58 CD1 LEU A 5 4.155 -2.986 5.072 1.00 0.00 C ATOM 59 CD2 LEU A 5 6.595 -2.403 5.193 1.00 0.00 C ATOM 0 H LEU A 5 7.369 -5.022 5.271 1.00 0.00 H new ATOM 0 HA LEU A 5 4.596 -5.552 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.799 -3.940 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.129 -4.044 2.576 1.00 0.00 H new ATOM 0 HG LEU A 5 5.277 -1.962 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.940 -2.086 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.331 -3.182 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.272 -3.832 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.327 -1.515 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.809 -3.225 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.478 -2.193 4.590 1.00 0.00 H new ATOM 71 N LEU A 6 5.790 -6.322 1.928 1.00 0.00 N ATOM 72 CA LEU A 6 6.353 -7.146 0.867 1.00 0.00 C ATOM 73 C LEU A 6 7.882 -7.113 0.940 1.00 0.00 C ATOM 74 O LEU A 6 8.465 -6.186 1.504 1.00 0.00 O ATOM 75 CB LEU A 6 5.896 -6.635 -0.511 1.00 0.00 C ATOM 76 CG LEU A 6 4.448 -6.944 -0.919 1.00 0.00 C ATOM 77 CD1 LEU A 6 4.185 -8.441 -0.873 1.00 0.00 C ATOM 78 CD2 LEU A 6 3.457 -6.198 -0.040 1.00 0.00 C ATOM 0 H LEU A 6 5.155 -5.596 1.596 1.00 0.00 H new ATOM 0 HA LEU A 6 6.002 -8.169 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.032 -5.554 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.559 -7.056 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 6 4.310 -6.601 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.154 -8.638 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.861 -8.950 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.352 -8.809 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.441 -6.437 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.596 -6.496 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.623 -5.125 -0.135 1.00 0.00 H new ATOM 90 N PRO A 7 8.552 -8.123 0.376 1.00 0.00 N ATOM 91 CA PRO A 7 10.013 -8.176 0.353 1.00 0.00 C ATOM 92 C PRO A 7 10.592 -7.095 -0.544 1.00 0.00 C ATOM 93 O PRO A 7 9.925 -6.623 -1.463 1.00 0.00 O ATOM 94 CB PRO A 7 10.327 -9.558 -0.237 1.00 0.00 C ATOM 95 CG PRO A 7 9.040 -10.309 -0.218 1.00 0.00 C ATOM 96 CD PRO A 7 7.949 -9.286 -0.283 1.00 0.00 C ATOM 0 HA PRO A 7 10.440 -8.018 1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.714 -9.471 -1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 7 11.088 -10.071 0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.979 -10.995 -1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.955 -10.910 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.663 -9.065 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.049 -9.621 0.233 1.00 0.00 H new ATOM 104 N ILE A 8 11.844 -6.725 -0.291 1.00 0.00 N ATOM 105 CA ILE A 8 12.523 -5.703 -1.089 1.00 0.00 C ATOM 106 C ILE A 8 12.629 -6.111 -2.557 1.00 0.00 C ATOM 107 O ILE A 8 12.873 -5.277 -3.423 1.00 0.00 O ATOM 108 CB ILE A 8 13.932 -5.352 -0.547 1.00 0.00 C ATOM 109 CG1 ILE A 8 14.553 -6.517 0.236 1.00 0.00 C ATOM 110 CG2 ILE A 8 13.866 -4.103 0.316 1.00 0.00 C ATOM 111 CD1 ILE A 8 14.796 -7.762 -0.590 1.00 0.00 C ATOM 0 H ILE A 8 12.411 -7.117 0.461 1.00 0.00 H new ATOM 0 HA ILE A 8 11.902 -4.811 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 8 14.577 -5.160 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.500 -6.188 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.897 -6.770 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.862 -3.867 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.495 -3.269 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.194 -4.276 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.236 -8.536 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.850 -8.119 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.477 -7.529 -1.408 1.00 0.00 H new ATOM 123 N ALA A 9 12.434 -7.396 -2.828 1.00 0.00 N ATOM 124 CA ALA A 9 12.437 -7.890 -4.192 1.00 0.00 C ATOM 125 C ALA A 9 11.122 -7.553 -4.886 1.00 0.00 C ATOM 126 O ALA A 9 11.078 -7.376 -6.104 1.00 0.00 O ATOM 127 CB ALA A 9 12.671 -9.387 -4.213 1.00 0.00 C ATOM 0 H ALA A 9 12.272 -8.111 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 9 13.249 -7.402 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.670 -9.741 -5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.633 -9.611 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.878 -9.887 -3.657 1.00 0.00 H new ATOM 133 N SER A 10 10.053 -7.450 -4.100 1.00 0.00 N ATOM 134 CA SER A 10 8.737 -7.125 -4.638 1.00 0.00 C ATOM 135 C SER A 10 8.709 -5.695 -5.173 1.00 0.00 C ATOM 136 O SER A 10 7.875 -5.354 -6.014 1.00 0.00 O ATOM 137 CB SER A 10 7.659 -7.310 -3.563 1.00 0.00 C ATOM 138 OG SER A 10 6.357 -7.183 -4.108 1.00 0.00 O ATOM 0 H SER A 10 10.073 -7.587 -3.089 1.00 0.00 H new ATOM 0 HA SER A 10 8.529 -7.805 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.768 -8.292 -3.102 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.799 -6.570 -2.775 1.00 0.00 H new ATOM 0 HG SER A 10 5.695 -7.463 -3.442 1.00 0.00 H new ATOM 144 N TYR A 11 9.625 -4.861 -4.687 1.00 0.00 N ATOM 145 CA TYR A 11 9.713 -3.484 -5.151 1.00 0.00 C ATOM 146 C TYR A 11 10.998 -3.268 -5.945 1.00 0.00 C ATOM 147 O TYR A 11 11.395 -2.129 -6.183 1.00 0.00 O ATOM 148 CB TYR A 11 9.711 -2.497 -3.993 1.00 0.00 C ATOM 149 CG TYR A 11 8.948 -2.935 -2.770 1.00 0.00 C ATOM 150 CD1 TYR A 11 7.572 -2.791 -2.687 1.00 0.00 C ATOM 151 CD2 TYR A 11 9.620 -3.467 -1.685 1.00 0.00 C ATOM 152 CE1 TYR A 11 6.888 -3.160 -1.552 1.00 0.00 C ATOM 153 CE2 TYR A 11 8.941 -3.847 -0.546 1.00 0.00 C ATOM 154 CZ TYR A 11 7.575 -3.685 -0.488 1.00 0.00 C ATOM 155 OH TYR A 11 6.895 -4.039 0.644 1.00 0.00 O ATOM 0 H TYR A 11 10.312 -5.115 -3.977 1.00 0.00 H new ATOM 0 HA TYR A 11 8.839 -3.310 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.743 -2.300 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.292 -1.554 -4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.028 -2.383 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.692 -3.587 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.816 -3.037 -1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.476 -4.268 0.293 1.00 0.00 H new ATOM 0 HH TYR A 11 7.444 -4.651 1.178 1.00 0.00 H new ATOM 165 N ALA A 12 11.660 -4.357 -6.326 1.00 0.00 N ATOM 166 CA ALA A 12 12.937 -4.269 -7.031 1.00 0.00 C ATOM 167 C ALA A 12 12.819 -3.444 -8.315 1.00 0.00 C ATOM 168 O ALA A 12 12.187 -3.866 -9.289 1.00 0.00 O ATOM 169 CB ALA A 12 13.467 -5.659 -7.341 1.00 0.00 C ATOM 0 H ALA A 12 11.335 -5.309 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 12 13.642 -3.759 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.419 -5.577 -7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.612 -6.209 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.751 -6.190 -7.968 1.00 0.00 H new ATOM 175 N GLY A 13 13.431 -2.264 -8.296 1.00 0.00 N ATOM 176 CA GLY A 13 13.390 -1.368 -9.437 1.00 0.00 C ATOM 177 C GLY A 13 12.057 -0.668 -9.567 1.00 0.00 C ATOM 178 O GLY A 13 11.627 -0.339 -10.670 1.00 0.00 O ATOM 0 H GLY A 13 13.961 -1.909 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.181 -0.624 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.592 -1.933 -10.347 1.00 0.00 H new ATOM 182 N LEU A 14 11.407 -0.426 -8.443 1.00 0.00 N ATOM 183 CA LEU A 14 10.064 0.127 -8.450 1.00 0.00 C ATOM 184 C LEU A 14 9.951 1.324 -7.522 1.00 0.00 C ATOM 185 O LEU A 14 10.852 1.609 -6.733 1.00 0.00 O ATOM 186 CB LEU A 14 9.063 -0.948 -8.040 1.00 0.00 C ATOM 187 CG LEU A 14 9.026 -2.164 -8.965 1.00 0.00 C ATOM 188 CD1 LEU A 14 8.108 -3.231 -8.406 1.00 0.00 C ATOM 189 CD2 LEU A 14 8.591 -1.762 -10.364 1.00 0.00 C ATOM 0 H LEU A 14 11.787 -0.604 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 14 9.842 0.467 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.301 -1.282 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.068 -0.505 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 14 10.033 -2.577 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.095 -4.089 -9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.468 -3.544 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.099 -2.829 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.572 -2.643 -11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.595 -1.321 -10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.294 -1.034 -10.768 1.00 0.00 H new ATOM 201 N THR A 15 8.843 2.031 -7.637 1.00 0.00 N ATOM 202 CA THR A 15 8.587 3.195 -6.815 1.00 0.00 C ATOM 203 C THR A 15 7.435 2.900 -5.857 1.00 0.00 C ATOM 204 O THR A 15 6.320 2.608 -6.290 1.00 0.00 O ATOM 205 CB THR A 15 8.242 4.411 -7.696 1.00 0.00 C ATOM 206 OG1 THR A 15 8.933 4.306 -8.948 1.00 0.00 O ATOM 207 CG2 THR A 15 8.649 5.707 -7.017 1.00 0.00 C ATOM 0 H THR A 15 8.099 1.815 -8.300 1.00 0.00 H new ATOM 0 HA THR A 15 9.484 3.428 -6.242 1.00 0.00 H new ATOM 0 HB THR A 15 7.164 4.421 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.712 5.078 -9.509 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.395 6.550 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.121 5.802 -6.068 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.724 5.701 -6.835 1.00 0.00 H new ATOM 215 N VAL A 16 7.712 2.958 -4.566 1.00 0.00 N ATOM 216 CA VAL A 16 6.727 2.611 -3.551 1.00 0.00 C ATOM 217 C VAL A 16 6.212 3.851 -2.843 1.00 0.00 C ATOM 218 O VAL A 16 6.828 4.918 -2.897 1.00 0.00 O ATOM 219 CB VAL A 16 7.314 1.635 -2.522 1.00 0.00 C ATOM 220 CG1 VAL A 16 7.791 0.379 -3.222 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.444 2.277 -1.743 1.00 0.00 C ATOM 0 H VAL A 16 8.617 3.244 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 16 5.894 2.126 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 16 6.533 1.369 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.207 -0.311 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.952 -0.095 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.558 0.638 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.840 1.563 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.236 2.576 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.070 3.155 -1.216 1.00 0.00 H new ATOM 231 N SER A 17 5.073 3.706 -2.192 1.00 0.00 N ATOM 232 CA SER A 17 4.452 4.800 -1.485 1.00 0.00 C ATOM 233 C SER A 17 5.217 5.106 -0.200 1.00 0.00 C ATOM 234 O SER A 17 5.866 4.220 0.345 1.00 0.00 O ATOM 235 CB SER A 17 2.994 4.442 -1.197 1.00 0.00 C ATOM 236 OG SER A 17 2.694 3.140 -1.677 1.00 0.00 O ATOM 0 H SER A 17 4.557 2.828 -2.141 1.00 0.00 H new ATOM 0 HA SER A 17 4.477 5.700 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.807 4.492 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.335 5.170 -1.670 1.00 0.00 H new ATOM 0 HG SER A 17 2.222 3.208 -2.533 1.00 0.00 H new ATOM 242 N ALA A 18 5.167 6.346 0.270 1.00 0.00 N ATOM 243 CA ALA A 18 5.917 6.738 1.464 1.00 0.00 C ATOM 244 C ALA A 18 5.645 5.799 2.652 1.00 0.00 C ATOM 245 O ALA A 18 6.593 5.352 3.294 1.00 0.00 O ATOM 246 CB ALA A 18 5.626 8.185 1.833 1.00 0.00 C ATOM 0 H ALA A 18 4.619 7.096 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 18 6.977 6.650 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.194 8.455 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.914 8.836 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.561 8.302 2.033 1.00 0.00 H new ATOM 252 N PRO A 19 4.361 5.469 2.961 1.00 0.00 N ATOM 253 CA PRO A 19 4.022 4.518 4.033 1.00 0.00 C ATOM 254 C PRO A 19 4.812 3.208 3.954 1.00 0.00 C ATOM 255 O PRO A 19 5.280 2.699 4.970 1.00 0.00 O ATOM 256 CB PRO A 19 2.537 4.245 3.806 1.00 0.00 C ATOM 257 CG PRO A 19 2.022 5.487 3.177 1.00 0.00 C ATOM 258 CD PRO A 19 3.141 6.020 2.330 1.00 0.00 C ATOM 0 HA PRO A 19 4.262 4.928 5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.387 3.381 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.024 4.033 4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.140 5.280 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.726 6.213 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.046 5.696 1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.152 7.110 2.323 1.00 0.00 H new ATOM 266 N VAL A 20 4.968 2.675 2.747 1.00 0.00 N ATOM 267 CA VAL A 20 5.686 1.424 2.552 1.00 0.00 C ATOM 268 C VAL A 20 7.187 1.686 2.489 1.00 0.00 C ATOM 269 O VAL A 20 7.977 0.910 3.012 1.00 0.00 O ATOM 270 CB VAL A 20 5.181 0.654 1.291 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.464 1.580 0.334 1.00 0.00 C ATOM 272 CG2 VAL A 20 6.309 -0.071 0.555 1.00 0.00 C ATOM 0 H VAL A 20 4.606 3.091 1.889 1.00 0.00 H new ATOM 0 HA VAL A 20 5.485 0.780 3.408 1.00 0.00 H new ATOM 0 HB VAL A 20 4.482 -0.098 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.124 1.015 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.605 2.027 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.145 2.367 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.902 -0.590 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.055 0.654 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.775 -0.794 1.225 1.00 0.00 H new ATOM 282 N PHE A 21 7.556 2.808 1.890 1.00 0.00 N ATOM 283 CA PHE A 21 8.950 3.215 1.773 1.00 0.00 C ATOM 284 C PHE A 21 9.582 3.418 3.147 1.00 0.00 C ATOM 285 O PHE A 21 10.597 2.803 3.474 1.00 0.00 O ATOM 286 CB PHE A 21 9.040 4.515 0.981 1.00 0.00 C ATOM 287 CG PHE A 21 10.436 4.859 0.572 1.00 0.00 C ATOM 288 CD1 PHE A 21 11.242 5.625 1.389 1.00 0.00 C ATOM 289 CD2 PHE A 21 10.939 4.405 -0.629 1.00 0.00 C ATOM 290 CE1 PHE A 21 12.535 5.933 1.016 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.228 4.707 -1.012 1.00 0.00 C ATOM 292 CZ PHE A 21 13.030 5.471 -0.188 1.00 0.00 C ATOM 0 H PHE A 21 6.897 3.464 1.470 1.00 0.00 H new ATOM 0 HA PHE A 21 9.492 2.423 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.417 4.434 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.633 5.328 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.857 5.988 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.316 3.806 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.157 6.533 1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.610 4.346 -1.956 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.042 5.707 -0.484 1.00 0.00 H new ATOM 302 N ALA A 22 8.973 4.284 3.945 1.00 0.00 N ATOM 303 CA ALA A 22 9.494 4.617 5.266 1.00 0.00 C ATOM 304 C ALA A 22 9.503 3.388 6.160 1.00 0.00 C ATOM 305 O ALA A 22 10.394 3.216 6.995 1.00 0.00 O ATOM 306 CB ALA A 22 8.668 5.728 5.895 1.00 0.00 C ATOM 0 H ALA A 22 8.112 4.772 3.699 1.00 0.00 H new ATOM 0 HA ALA A 22 10.520 4.968 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.069 5.966 6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.710 6.615 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.633 5.401 5.993 1.00 0.00 H new ATOM 312 N ALA A 23 8.520 2.524 5.967 1.00 0.00 N ATOM 313 CA ALA A 23 8.424 1.306 6.736 1.00 0.00 C ATOM 314 C ALA A 23 9.468 0.309 6.267 1.00 0.00 C ATOM 315 O ALA A 23 10.050 -0.412 7.066 1.00 0.00 O ATOM 316 CB ALA A 23 7.034 0.730 6.611 1.00 0.00 C ATOM 0 H ALA A 23 7.777 2.650 5.280 1.00 0.00 H new ATOM 0 HA ALA A 23 8.613 1.527 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.967 -0.189 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.307 1.450 6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.823 0.512 5.564 1.00 0.00 H new ATOM 322 N LEU A 24 9.697 0.284 4.963 1.00 0.00 N ATOM 323 CA LEU A 24 10.757 -0.509 4.366 1.00 0.00 C ATOM 324 C LEU A 24 12.105 -0.113 4.936 1.00 0.00 C ATOM 325 O LEU A 24 12.865 -0.958 5.365 1.00 0.00 O ATOM 326 CB LEU A 24 10.762 -0.286 2.866 1.00 0.00 C ATOM 327 CG LEU A 24 10.267 -1.439 1.997 1.00 0.00 C ATOM 328 CD1 LEU A 24 9.089 -2.157 2.632 1.00 0.00 C ATOM 329 CD2 LEU A 24 9.882 -0.888 0.643 1.00 0.00 C ATOM 0 H LEU A 24 9.149 0.816 4.287 1.00 0.00 H new ATOM 0 HA LEU A 24 10.578 -1.561 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.149 0.589 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.780 -0.044 2.562 1.00 0.00 H new ATOM 0 HG LEU A 24 11.067 -2.172 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.766 -2.971 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.388 -2.561 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.267 -1.455 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.526 -1.699 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.092 -0.147 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.751 -0.420 0.180 1.00 0.00 H new ATOM 341 N VAL A 25 12.392 1.178 4.944 1.00 0.00 N ATOM 342 CA VAL A 25 13.630 1.683 5.536 1.00 0.00 C ATOM 343 C VAL A 25 13.711 1.298 7.011 1.00 0.00 C ATOM 344 O VAL A 25 14.792 1.133 7.578 1.00 0.00 O ATOM 345 CB VAL A 25 13.745 3.216 5.397 1.00 0.00 C ATOM 346 CG1 VAL A 25 15.018 3.717 6.052 1.00 0.00 C ATOM 347 CG2 VAL A 25 13.706 3.623 3.936 1.00 0.00 C ATOM 0 H VAL A 25 11.788 1.899 4.549 1.00 0.00 H new ATOM 0 HA VAL A 25 14.458 1.227 4.993 1.00 0.00 H new ATOM 0 HB VAL A 25 12.894 3.670 5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.081 4.800 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.009 3.458 7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.880 3.253 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.788 4.707 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.537 3.157 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.765 3.298 3.493 1.00 0.00 H new ATOM 357 N THR A 26 12.553 1.122 7.611 1.00 0.00 N ATOM 358 CA THR A 26 12.465 0.715 9.002 1.00 0.00 C ATOM 359 C THR A 26 12.941 -0.734 9.189 1.00 0.00 C ATOM 360 O THR A 26 13.614 -1.057 10.170 1.00 0.00 O ATOM 361 CB THR A 26 11.018 0.869 9.524 1.00 0.00 C ATOM 362 OG1 THR A 26 10.627 2.250 9.477 1.00 0.00 O ATOM 363 CG2 THR A 26 10.879 0.341 10.944 1.00 0.00 C ATOM 0 H THR A 26 11.651 1.255 7.155 1.00 0.00 H new ATOM 0 HA THR A 26 13.120 1.367 9.580 1.00 0.00 H new ATOM 0 HB THR A 26 10.364 0.280 8.881 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.639 2.562 8.548 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.849 0.465 11.279 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.143 -0.716 10.967 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.545 0.895 11.605 1.00 0.00 H new ATOM 371 N VAL A 27 12.620 -1.599 8.230 1.00 0.00 N ATOM 372 CA VAL A 27 12.946 -3.017 8.343 1.00 0.00 C ATOM 373 C VAL A 27 14.124 -3.407 7.441 1.00 0.00 C ATOM 374 O VAL A 27 15.083 -4.031 7.891 1.00 0.00 O ATOM 375 CB VAL A 27 11.700 -3.901 8.043 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.775 -3.233 7.041 1.00 0.00 C ATOM 377 CG2 VAL A 27 12.103 -5.260 7.515 1.00 0.00 C ATOM 0 H VAL A 27 12.136 -1.344 7.369 1.00 0.00 H new ATOM 0 HA VAL A 27 13.253 -3.197 9.373 1.00 0.00 H new ATOM 0 HB VAL A 27 11.171 -4.027 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.915 -3.877 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.433 -2.279 7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.311 -3.064 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.210 -5.852 7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.671 -5.138 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.719 -5.770 8.256 1.00 0.00 H new ATOM 387 N TYR A 28 14.049 -3.025 6.180 1.00 0.00 N ATOM 388 CA TYR A 28 15.071 -3.348 5.197 1.00 0.00 C ATOM 389 C TYR A 28 16.166 -2.287 5.190 1.00 0.00 C ATOM 390 O TYR A 28 17.324 -2.556 4.857 1.00 0.00 O ATOM 391 CB TYR A 28 14.420 -3.454 3.818 1.00 0.00 C ATOM 392 CG TYR A 28 13.279 -4.442 3.800 1.00 0.00 C ATOM 393 CD1 TYR A 28 11.965 -4.008 3.748 1.00 0.00 C ATOM 394 CD2 TYR A 28 13.518 -5.807 3.869 1.00 0.00 C ATOM 395 CE1 TYR A 28 10.917 -4.905 3.765 1.00 0.00 C ATOM 396 CE2 TYR A 28 12.477 -6.713 3.882 1.00 0.00 C ATOM 397 CZ TYR A 28 11.178 -6.258 3.830 1.00 0.00 C ATOM 398 OH TYR A 28 10.139 -7.159 3.859 1.00 0.00 O ATOM 0 H TYR A 28 13.274 -2.479 5.805 1.00 0.00 H new ATOM 0 HA TYR A 28 15.532 -4.301 5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.054 -2.473 3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 28 15.170 -3.754 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 28 11.757 -2.950 3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.535 -6.166 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.898 -4.550 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 28 12.680 -7.773 3.933 1.00 0.00 H new ATOM 0 HH TYR A 28 9.509 -6.956 3.136 1.00 0.00 H new ATOM 408 N GLY A 29 15.791 -1.076 5.566 1.00 0.00 N ATOM 409 CA GLY A 29 16.742 0.004 5.624 1.00 0.00 C ATOM 410 C GLY A 29 16.841 0.735 4.310 1.00 0.00 C ATOM 411 O GLY A 29 16.399 0.228 3.276 1.00 0.00 O ATOM 0 H GLY A 29 14.839 -0.824 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.450 0.703 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.722 -0.389 5.896 1.00 0.00 H new ATOM 415 N ALA A 30 17.409 1.927 4.345 1.00 0.00 N ATOM 416 CA ALA A 30 17.606 2.701 3.135 1.00 0.00 C ATOM 417 C ALA A 30 18.623 2.012 2.240 1.00 0.00 C ATOM 418 O ALA A 30 18.583 2.150 1.020 1.00 0.00 O ATOM 419 CB ALA A 30 18.052 4.114 3.469 1.00 0.00 C ATOM 0 H ALA A 30 17.741 2.379 5.197 1.00 0.00 H new ATOM 0 HA ALA A 30 16.658 2.766 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 30 18.194 4.678 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.291 4.601 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.991 4.078 4.021 1.00 0.00 H new ATOM 425 N TYR A 31 19.526 1.263 2.866 1.00 0.00 N ATOM 426 CA TYR A 31 20.530 0.498 2.155 1.00 0.00 C ATOM 427 C TYR A 31 19.884 -0.552 1.261 1.00 0.00 C ATOM 428 O TYR A 31 20.160 -0.601 0.066 1.00 0.00 O ATOM 429 CB TYR A 31 21.467 -0.172 3.156 1.00 0.00 C ATOM 430 CG TYR A 31 22.759 -0.639 2.545 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.760 0.270 2.261 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.976 -1.975 2.251 1.00 0.00 C ATOM 433 CE1 TYR A 31 24.954 -0.136 1.697 1.00 0.00 C ATOM 434 CE2 TYR A 31 24.166 -2.395 1.689 1.00 0.00 C ATOM 435 CZ TYR A 31 25.152 -1.471 1.413 1.00 0.00 C ATOM 436 OH TYR A 31 26.335 -1.882 0.845 1.00 0.00 O ATOM 0 H TYR A 31 19.577 1.173 3.881 1.00 0.00 H new ATOM 0 HA TYR A 31 21.100 1.178 1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 31 21.687 0.529 3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 31 20.957 -1.024 3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 31 23.606 1.316 2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.204 -2.699 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 31 25.727 0.587 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 31 24.323 -3.440 1.467 1.00 0.00 H new ATOM 0 HH TYR A 31 26.314 -2.853 0.711 1.00 0.00 H new ATOM 446 N ALA A 32 19.023 -1.392 1.835 1.00 0.00 N ATOM 447 CA ALA A 32 18.356 -2.429 1.063 1.00 0.00 C ATOM 448 C ALA A 32 17.494 -1.818 -0.029 1.00 0.00 C ATOM 449 O ALA A 32 17.506 -2.277 -1.166 1.00 0.00 O ATOM 450 CB ALA A 32 17.515 -3.317 1.959 1.00 0.00 C ATOM 0 H ALA A 32 18.775 -1.372 2.824 1.00 0.00 H new ATOM 0 HA ALA A 32 19.126 -3.043 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.027 -4.084 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.154 -3.792 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.758 -2.714 2.462 1.00 0.00 H new ATOM 456 N LEU A 33 16.764 -0.768 0.313 1.00 0.00 N ATOM 457 CA LEU A 33 15.907 -0.108 -0.655 1.00 0.00 C ATOM 458 C LEU A 33 16.719 0.505 -1.787 1.00 0.00 C ATOM 459 O LEU A 33 16.342 0.411 -2.951 1.00 0.00 O ATOM 460 CB LEU A 33 15.046 0.947 0.033 1.00 0.00 C ATOM 461 CG LEU A 33 13.628 0.496 0.344 1.00 0.00 C ATOM 462 CD1 LEU A 33 13.639 -0.756 1.202 1.00 0.00 C ATOM 463 CD2 LEU A 33 12.880 1.607 1.041 1.00 0.00 C ATOM 0 H LEU A 33 16.748 -0.358 1.247 1.00 0.00 H new ATOM 0 HA LEU A 33 15.250 -0.859 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.531 1.245 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.002 1.832 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 33 13.122 0.260 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.614 -1.062 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.154 -1.556 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.156 -0.550 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.864 1.279 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.389 1.861 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.846 2.484 0.395 1.00 0.00 H new ATOM 475 N TYR A 34 17.851 1.100 -1.448 1.00 0.00 N ATOM 476 CA TYR A 34 18.743 1.661 -2.448 1.00 0.00 C ATOM 477 C TYR A 34 19.336 0.541 -3.290 1.00 0.00 C ATOM 478 O TYR A 34 19.576 0.697 -4.490 1.00 0.00 O ATOM 479 CB TYR A 34 19.857 2.466 -1.764 1.00 0.00 C ATOM 480 CG TYR A 34 21.059 2.718 -2.641 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.114 3.816 -3.489 1.00 0.00 C ATOM 482 CD2 TYR A 34 22.138 1.842 -2.624 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.214 4.036 -4.298 1.00 0.00 C ATOM 484 CE2 TYR A 34 23.239 2.056 -3.427 1.00 0.00 C ATOM 485 CZ TYR A 34 23.274 3.153 -4.262 1.00 0.00 C ATOM 486 OH TYR A 34 24.369 3.363 -5.070 1.00 0.00 O ATOM 0 H TYR A 34 18.174 1.207 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 34 18.181 2.331 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.451 3.423 -1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.178 1.934 -0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.286 4.508 -3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.114 0.981 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 34 22.243 4.894 -4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 34 24.070 1.367 -3.402 1.00 0.00 H new ATOM 0 HH TYR A 34 25.026 2.651 -4.922 1.00 0.00 H new ATOM 496 N ARG A 35 19.550 -0.597 -2.649 1.00 0.00 N ATOM 497 CA ARG A 35 20.154 -1.741 -3.298 1.00 0.00 C ATOM 498 C ARG A 35 19.251 -2.286 -4.391 1.00 0.00 C ATOM 499 O ARG A 35 19.694 -2.548 -5.510 1.00 0.00 O ATOM 500 CB ARG A 35 20.446 -2.834 -2.278 1.00 0.00 C ATOM 501 CG ARG A 35 21.782 -2.693 -1.578 1.00 0.00 C ATOM 502 CD ARG A 35 22.146 -3.979 -0.863 1.00 0.00 C ATOM 503 NE ARG A 35 21.260 -4.270 0.265 1.00 0.00 N ATOM 504 CZ ARG A 35 20.701 -5.461 0.484 1.00 0.00 C ATOM 505 NH1 ARG A 35 20.858 -6.449 -0.389 1.00 0.00 N ATOM 506 NH2 ARG A 35 19.971 -5.662 1.570 1.00 0.00 N ATOM 0 H ARG A 35 19.310 -0.750 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 35 21.090 -1.415 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.655 -2.836 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.412 -3.801 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.555 -2.443 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.739 -1.872 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.109 -4.807 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 35 23.173 -3.912 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 35 21.058 -3.517 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.409 -6.300 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.427 -7.357 -0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.835 -4.905 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 35 19.544 -6.573 1.736 1.00 0.00 H new ATOM 520 N TYR A 36 17.978 -2.432 -4.066 1.00 0.00 N ATOM 521 CA TYR A 36 17.020 -3.011 -4.992 1.00 0.00 C ATOM 522 C TYR A 36 16.399 -1.955 -5.886 1.00 0.00 C ATOM 523 O TYR A 36 15.458 -2.232 -6.622 1.00 0.00 O ATOM 524 CB TYR A 36 15.944 -3.769 -4.222 1.00 0.00 C ATOM 525 CG TYR A 36 16.495 -5.000 -3.556 1.00 0.00 C ATOM 526 CD1 TYR A 36 16.262 -6.259 -4.078 1.00 0.00 C ATOM 527 CD2 TYR A 36 17.274 -4.894 -2.418 1.00 0.00 C ATOM 528 CE1 TYR A 36 16.794 -7.386 -3.479 1.00 0.00 C ATOM 529 CE2 TYR A 36 17.809 -6.003 -1.809 1.00 0.00 C ATOM 530 CZ TYR A 36 17.569 -7.253 -2.342 1.00 0.00 C ATOM 531 OH TYR A 36 18.104 -8.369 -1.733 1.00 0.00 O ATOM 0 H TYR A 36 17.583 -2.157 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 36 17.552 -3.709 -5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 36 15.506 -3.114 -3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 36 15.142 -4.053 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 36 15.656 -6.364 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 36 17.466 -3.917 -1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 36 16.605 -8.364 -3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.413 -5.897 -0.920 1.00 0.00 H new ATOM 0 HH TYR A 36 18.622 -8.096 -0.947 1.00 0.00 H new ATOM 541 N ASN A 37 16.955 -0.749 -5.822 1.00 0.00 N ATOM 542 CA ASN A 37 16.490 0.379 -6.624 1.00 0.00 C ATOM 543 C ASN A 37 15.022 0.667 -6.321 1.00 0.00 C ATOM 544 O ASN A 37 14.193 0.817 -7.222 1.00 0.00 O ATOM 545 CB ASN A 37 16.687 0.104 -8.121 1.00 0.00 C ATOM 546 CG ASN A 37 16.734 1.374 -8.951 1.00 0.00 C ATOM 547 OD1 ASN A 37 17.803 1.932 -9.196 1.00 0.00 O ATOM 548 ND2 ASN A 37 15.580 1.851 -9.378 1.00 0.00 N ATOM 0 H ASN A 37 17.741 -0.526 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 37 17.082 1.256 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.613 -0.453 -8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.875 -0.529 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.555 2.708 -9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.713 1.362 -9.156 1.00 0.00 H new ATOM 555 N ILE A 38 14.705 0.699 -5.041 1.00 0.00 N ATOM 556 CA ILE A 38 13.369 1.024 -4.590 1.00 0.00 C ATOM 557 C ILE A 38 13.265 2.519 -4.315 1.00 0.00 C ATOM 558 O ILE A 38 14.029 3.075 -3.525 1.00 0.00 O ATOM 559 CB ILE A 38 13.010 0.225 -3.326 1.00 0.00 C ATOM 560 CG1 ILE A 38 13.170 -1.272 -3.601 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.589 0.537 -2.882 1.00 0.00 C ATOM 562 CD1 ILE A 38 12.978 -2.141 -2.385 1.00 0.00 C ATOM 0 H ILE A 38 15.365 0.501 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 38 12.663 0.755 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 38 13.686 0.513 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.452 -1.570 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.164 -1.452 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.353 -0.038 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.501 1.601 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.893 0.271 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.107 -3.187 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.713 -1.873 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.974 -1.992 -1.986 1.00 0.00 H new ATOM 574 N ARG A 39 12.326 3.161 -4.985 1.00 0.00 N ATOM 575 CA ARG A 39 12.174 4.607 -4.905 1.00 0.00 C ATOM 576 C ARG A 39 10.918 4.970 -4.130 1.00 0.00 C ATOM 577 O ARG A 39 10.067 4.117 -3.881 1.00 0.00 O ATOM 578 CB ARG A 39 12.083 5.225 -6.303 1.00 0.00 C ATOM 579 CG ARG A 39 13.338 5.108 -7.144 1.00 0.00 C ATOM 580 CD ARG A 39 13.416 3.770 -7.859 1.00 0.00 C ATOM 581 NE ARG A 39 12.215 3.494 -8.654 1.00 0.00 N ATOM 582 CZ ARG A 39 12.187 3.444 -9.988 1.00 0.00 C ATOM 583 NH1 ARG A 39 13.273 3.725 -10.691 1.00 0.00 N ATOM 584 NH2 ARG A 39 11.062 3.136 -10.618 1.00 0.00 N ATOM 0 H ARG A 39 11.651 2.702 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 39 13.051 5.000 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.260 4.752 -6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.831 6.280 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.360 5.914 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.214 5.232 -6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.290 3.758 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.554 2.976 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 39 11.342 3.329 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.137 3.981 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.245 3.685 -11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.216 2.937 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.042 3.098 -11.637 1.00 0.00 H new ATOM 598 N ARG A 40 10.797 6.242 -3.773 1.00 0.00 N ATOM 599 CA ARG A 40 9.635 6.724 -3.040 1.00 0.00 C ATOM 600 C ARG A 40 8.806 7.640 -3.922 1.00 0.00 C ATOM 601 O ARG A 40 9.341 8.519 -4.601 1.00 0.00 O ATOM 602 CB ARG A 40 10.057 7.471 -1.776 1.00 0.00 C ATOM 603 CG ARG A 40 8.916 7.700 -0.797 1.00 0.00 C ATOM 604 CD ARG A 40 9.377 8.479 0.422 1.00 0.00 C ATOM 605 NE ARG A 40 9.562 9.895 0.123 1.00 0.00 N ATOM 606 CZ ARG A 40 10.153 10.763 0.944 1.00 0.00 C ATOM 607 NH1 ARG A 40 10.642 10.361 2.108 1.00 0.00 N ATOM 608 NH2 ARG A 40 10.262 12.037 0.595 1.00 0.00 N ATOM 0 H ARG A 40 11.492 6.960 -3.980 1.00 0.00 H new ATOM 0 HA ARG A 40 9.036 5.861 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.846 6.908 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.482 8.434 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.112 8.243 -1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.506 6.740 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.645 8.369 1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.314 8.060 0.788 1.00 0.00 H new ATOM 0 HE ARG A 40 9.217 10.243 -0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.568 9.381 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.093 11.031 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.894 12.353 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.714 12.701 1.223 1.00 0.00 H new ATOM 622 N ARG A 41 7.507 7.422 -3.915 1.00 0.00 N ATOM 623 CA ARG A 41 6.600 8.198 -4.749 1.00 0.00 C ATOM 624 C ARG A 41 5.532 8.890 -3.915 1.00 0.00 C ATOM 625 O ARG A 41 5.425 8.664 -2.704 1.00 0.00 O ATOM 626 CB ARG A 41 5.920 7.286 -5.765 1.00 0.00 C ATOM 627 CG ARG A 41 4.953 6.302 -5.131 1.00 0.00 C ATOM 628 CD ARG A 41 4.656 5.139 -6.052 1.00 0.00 C ATOM 629 NE ARG A 41 4.260 5.575 -7.388 1.00 0.00 N ATOM 630 CZ ARG A 41 4.334 4.808 -8.473 1.00 0.00 C ATOM 631 NH1 ARG A 41 4.794 3.564 -8.385 1.00 0.00 N ATOM 632 NH2 ARG A 41 3.949 5.290 -9.646 1.00 0.00 N ATOM 0 H ARG A 41 7.051 6.713 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 41 7.190 8.958 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.383 7.897 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.682 6.734 -6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.373 5.929 -4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.024 6.814 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.538 4.504 -6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.861 4.531 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 41 3.905 6.525 -7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.092 3.193 -7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.849 2.980 -9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.598 6.245 -9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.004 4.706 -10.480 1.00 0.00 H new ATOM 646 N GLU A 42 4.744 9.726 -4.577 1.00 0.00 N ATOM 647 CA GLU A 42 3.574 10.322 -3.960 1.00 0.00 C ATOM 648 C GLU A 42 2.545 9.244 -3.661 1.00 0.00 C ATOM 649 O GLU A 42 2.459 8.239 -4.368 1.00 0.00 O ATOM 650 CB GLU A 42 2.956 11.376 -4.871 1.00 0.00 C ATOM 651 CG GLU A 42 3.863 12.562 -5.141 1.00 0.00 C ATOM 652 CD GLU A 42 3.186 13.606 -5.997 1.00 0.00 C ATOM 653 OE1 GLU A 42 2.424 14.425 -5.444 1.00 0.00 O ATOM 654 OE2 GLU A 42 3.405 13.609 -7.226 1.00 0.00 O ATOM 0 H GLU A 42 4.898 10.006 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 42 3.884 10.803 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.690 10.911 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.030 11.734 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.166 13.010 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.771 12.219 -5.637 1.00 0.00 H new ATOM 661 N ASN A 43 1.766 9.449 -2.619 1.00 0.00 N ATOM 662 CA ASN A 43 0.793 8.457 -2.209 1.00 0.00 C ATOM 663 C ASN A 43 -0.500 9.117 -1.772 1.00 0.00 C ATOM 664 O ASN A 43 -1.169 8.669 -0.842 1.00 0.00 O ATOM 665 CB ASN A 43 1.377 7.579 -1.102 1.00 0.00 C ATOM 666 CG ASN A 43 1.674 8.347 0.171 1.00 0.00 C ATOM 667 OD1 ASN A 43 2.805 9.035 0.194 1.00 0.00 O flip ATOM 668 ND2 ASN A 43 0.889 8.337 1.116 1.00 0.00 N flip ATOM 0 H ASN A 43 1.787 10.290 -2.042 1.00 0.00 H new ATOM 0 HA ASN A 43 0.558 7.819 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.678 6.773 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.295 7.114 -1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.028 7.793 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.098 8.872 1.959 1.00 0.00 H new ATOM 675 N SER A 44 -0.847 10.177 -2.478 1.00 0.00 N ATOM 676 CA SER A 44 -2.103 10.873 -2.254 1.00 0.00 C ATOM 677 C SER A 44 -3.260 9.967 -2.650 1.00 0.00 C ATOM 678 O SER A 44 -4.371 10.076 -2.130 1.00 0.00 O ATOM 679 CB SER A 44 -2.127 12.167 -3.064 1.00 0.00 C ATOM 680 OG SER A 44 -0.998 12.972 -2.758 1.00 0.00 O ATOM 0 H SER A 44 -0.272 10.579 -3.218 1.00 0.00 H new ATOM 0 HA SER A 44 -2.202 11.126 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.136 11.935 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.042 12.719 -2.850 1.00 0.00 H new ATOM 0 HG SER A 44 -1.030 13.796 -3.288 1.00 0.00 H new ATOM 686 N TYR A 45 -2.973 9.074 -3.584 1.00 0.00 N ATOM 687 CA TYR A 45 -3.894 8.019 -3.958 1.00 0.00 C ATOM 688 C TYR A 45 -3.279 6.679 -3.567 1.00 0.00 C ATOM 689 O TYR A 45 -2.146 6.625 -3.080 1.00 0.00 O ATOM 690 CB TYR A 45 -4.181 8.058 -5.463 1.00 0.00 C ATOM 691 CG TYR A 45 -3.040 7.562 -6.320 1.00 0.00 C ATOM 692 CD1 TYR A 45 -1.987 8.399 -6.662 1.00 0.00 C ATOM 693 CD2 TYR A 45 -3.018 6.253 -6.787 1.00 0.00 C ATOM 694 CE1 TYR A 45 -0.947 7.948 -7.445 1.00 0.00 C ATOM 695 CE2 TYR A 45 -1.981 5.796 -7.570 1.00 0.00 C ATOM 696 CZ TYR A 45 -0.948 6.646 -7.898 1.00 0.00 C ATOM 697 OH TYR A 45 0.088 6.193 -8.678 1.00 0.00 O ATOM 0 H TYR A 45 -2.095 9.062 -4.102 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.842 8.158 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.065 7.455 -5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.419 9.082 -5.750 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.983 9.420 -6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.826 5.584 -6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.135 8.611 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.978 4.776 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 45 0.909 6.673 -8.443 1.00 0.00 H new ATOM 707 N GLN A 46 -4.011 5.603 -3.789 1.00 0.00 N ATOM 708 CA GLN A 46 -3.567 4.292 -3.369 1.00 0.00 C ATOM 709 C GLN A 46 -2.704 3.611 -4.408 1.00 0.00 C ATOM 710 O GLN A 46 -3.187 2.913 -5.298 1.00 0.00 O ATOM 711 CB GLN A 46 -4.757 3.428 -3.003 1.00 0.00 C ATOM 712 CG GLN A 46 -5.057 3.479 -1.524 1.00 0.00 C ATOM 713 CD GLN A 46 -5.201 4.897 -1.020 1.00 0.00 C ATOM 714 OE1 GLN A 46 -5.720 5.760 -1.709 1.00 0.00 O ATOM 715 NE2 GLN A 46 -4.689 5.155 0.159 1.00 0.00 N ATOM 0 H GLN A 46 -4.916 5.614 -4.259 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.942 4.429 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.632 3.759 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.562 2.397 -3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.976 2.928 -1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.259 2.979 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.264 4.406 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.716 6.105 0.530 1.00 0.00 H new ATOM 724 N ARG A 47 -1.414 3.827 -4.267 1.00 0.00 N ATOM 725 CA ARG A 47 -0.425 3.164 -5.090 1.00 0.00 C ATOM 726 C ARG A 47 0.256 2.083 -4.260 1.00 0.00 C ATOM 727 O ARG A 47 1.434 2.184 -3.915 1.00 0.00 O ATOM 728 CB ARG A 47 0.594 4.179 -5.615 1.00 0.00 C ATOM 729 CG ARG A 47 1.622 3.606 -6.585 1.00 0.00 C ATOM 730 CD ARG A 47 0.975 2.983 -7.816 1.00 0.00 C ATOM 731 NE ARG A 47 0.420 1.658 -7.538 1.00 0.00 N ATOM 732 CZ ARG A 47 -0.786 1.252 -7.938 1.00 0.00 C ATOM 733 NH1 ARG A 47 -1.554 2.052 -8.671 1.00 0.00 N ATOM 734 NH2 ARG A 47 -1.218 0.038 -7.612 1.00 0.00 N ATOM 0 H ARG A 47 -1.021 4.468 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.906 2.703 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.058 4.988 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.120 4.618 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.303 4.397 -6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.221 2.853 -6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.183 3.638 -8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.714 2.905 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 47 0.992 1.003 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.222 2.981 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.475 1.737 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.628 -0.581 -7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.140 -0.274 -7.917 1.00 0.00 H new ATOM 748 N ILE A 48 -0.517 1.066 -3.913 1.00 0.00 N ATOM 749 CA ILE A 48 -0.033 -0.023 -3.082 1.00 0.00 C ATOM 750 C ILE A 48 0.509 -1.148 -3.958 1.00 0.00 C ATOM 751 O ILE A 48 0.027 -1.360 -5.073 1.00 0.00 O ATOM 752 CB ILE A 48 -1.159 -0.563 -2.170 1.00 0.00 C ATOM 753 CG1 ILE A 48 -1.847 0.589 -1.425 1.00 0.00 C ATOM 754 CG2 ILE A 48 -0.613 -1.586 -1.180 1.00 0.00 C ATOM 755 CD1 ILE A 48 -0.926 1.376 -0.514 1.00 0.00 C ATOM 0 H ILE A 48 -1.492 0.973 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 48 0.769 0.360 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.897 -1.059 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.285 1.269 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.668 0.185 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.424 -1.951 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.173 -2.421 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.149 -1.118 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.490 2.171 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.507 0.712 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.118 1.812 -1.102 1.00 0.00 H new ATOM 767 N ARG A 49 1.501 -1.868 -3.448 1.00 0.00 N ATOM 768 CA ARG A 49 2.165 -2.918 -4.210 1.00 0.00 C ATOM 769 C ARG A 49 1.472 -4.266 -4.005 1.00 0.00 C ATOM 770 O ARG A 49 2.106 -5.324 -4.035 1.00 0.00 O ATOM 771 CB ARG A 49 3.650 -2.980 -3.808 1.00 0.00 C ATOM 772 CG ARG A 49 4.505 -3.925 -4.644 1.00 0.00 C ATOM 773 CD ARG A 49 4.473 -3.566 -6.120 1.00 0.00 C ATOM 774 NE ARG A 49 5.270 -4.492 -6.921 1.00 0.00 N ATOM 775 CZ ARG A 49 4.978 -4.838 -8.174 1.00 0.00 C ATOM 776 NH1 ARG A 49 3.898 -4.351 -8.771 1.00 0.00 N ATOM 777 NH2 ARG A 49 5.766 -5.684 -8.825 1.00 0.00 N ATOM 0 H ARG A 49 1.865 -1.742 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 49 2.100 -2.685 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.071 -1.977 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.716 -3.283 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.534 -3.895 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.151 -4.947 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.442 -3.574 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.849 -2.552 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 49 6.102 -4.899 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.285 -3.707 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.681 -4.620 -9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.592 -6.067 -8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.545 -5.951 -9.784 1.00 0.00 H new ATOM 791 N SER A 50 0.154 -4.209 -3.838 1.00 0.00 N ATOM 792 CA SER A 50 -0.666 -5.399 -3.652 1.00 0.00 C ATOM 793 C SER A 50 -0.163 -6.270 -2.489 1.00 0.00 C ATOM 794 O SER A 50 0.692 -5.849 -1.706 1.00 0.00 O ATOM 795 CB SER A 50 -0.668 -6.194 -4.955 1.00 0.00 C ATOM 796 OG SER A 50 -0.873 -5.339 -6.071 1.00 0.00 O ATOM 0 H SER A 50 -0.374 -3.336 -3.828 1.00 0.00 H new ATOM 0 HA SER A 50 -1.679 -5.090 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.280 -6.721 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.452 -6.951 -4.923 1.00 0.00 H new ATOM 0 HG SER A 50 -1.558 -4.674 -5.852 1.00 0.00 H new ATOM 802 N ASP A 51 -0.732 -7.468 -2.364 1.00 0.00 N ATOM 803 CA ASP A 51 -0.278 -8.450 -1.380 1.00 0.00 C ATOM 804 C ASP A 51 -0.907 -9.803 -1.626 1.00 0.00 C ATOM 805 O ASP A 51 -0.343 -10.634 -2.339 1.00 0.00 O ATOM 806 CB ASP A 51 -0.524 -8.005 0.072 1.00 0.00 C ATOM 807 CG ASP A 51 -1.894 -7.423 0.339 1.00 0.00 C ATOM 808 OD1 ASP A 51 -2.799 -8.194 0.728 1.00 0.00 O ATOM 809 OD2 ASP A 51 -2.062 -6.195 0.188 1.00 0.00 O ATOM 0 H ASP A 51 -1.515 -7.784 -2.937 1.00 0.00 H new ATOM 0 HA ASP A 51 0.801 -8.530 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.376 -8.862 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.228 -7.263 0.341 1.00 0.00 H new ATOM 814 N HIS A 52 -2.058 -10.038 -1.039 1.00 0.00 N ATOM 815 CA HIS A 52 -2.694 -11.330 -1.179 1.00 0.00 C ATOM 816 C HIS A 52 -4.019 -11.237 -1.925 1.00 0.00 C ATOM 817 O HIS A 52 -4.099 -11.562 -3.110 1.00 0.00 O ATOM 818 CB HIS A 52 -2.905 -11.979 0.184 1.00 0.00 C ATOM 819 CG HIS A 52 -2.724 -13.457 0.141 1.00 0.00 C ATOM 820 ND1 HIS A 52 -3.749 -14.359 0.312 1.00 0.00 N ATOM 821 CD2 HIS A 52 -1.610 -14.185 -0.069 1.00 0.00 C ATOM 822 CE1 HIS A 52 -3.268 -15.585 0.212 1.00 0.00 C ATOM 823 NE2 HIS A 52 -1.971 -15.507 -0.020 1.00 0.00 N ATOM 0 H HIS A 52 -2.568 -9.364 -0.468 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.023 -11.953 -1.770 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.204 -11.550 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.908 -11.748 0.542 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.725 -14.119 0.488 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.617 -13.799 -0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.839 -16.497 0.304 1.00 0.00 H new ATOM 832 N ASP A 53 -5.053 -10.795 -1.231 1.00 0.00 N ATOM 833 CA ASP A 53 -6.387 -10.712 -1.818 1.00 0.00 C ATOM 834 C ASP A 53 -6.672 -9.287 -2.250 1.00 0.00 C ATOM 835 O ASP A 53 -7.816 -8.921 -2.521 1.00 0.00 O ATOM 836 CB ASP A 53 -7.451 -11.173 -0.813 1.00 0.00 C ATOM 837 CG ASP A 53 -7.311 -12.634 -0.429 1.00 0.00 C ATOM 838 OD1 ASP A 53 -6.360 -12.973 0.311 1.00 0.00 O ATOM 839 OD2 ASP A 53 -8.162 -13.448 -0.851 1.00 0.00 O ATOM 0 H ASP A 53 -4.999 -10.487 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.424 -11.368 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.384 -10.559 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.441 -11.008 -1.239 1.00 0.00 H new ATOM 844 N SER A 54 -5.621 -8.482 -2.293 1.00 0.00 N ATOM 845 CA SER A 54 -5.741 -7.073 -2.612 1.00 0.00 C ATOM 846 C SER A 54 -6.014 -6.843 -4.092 1.00 0.00 C ATOM 847 O SER A 54 -5.578 -7.611 -4.953 1.00 0.00 O ATOM 848 CB SER A 54 -4.480 -6.345 -2.182 1.00 0.00 C ATOM 849 OG SER A 54 -4.438 -6.189 -0.779 1.00 0.00 O ATOM 0 H SER A 54 -4.666 -8.788 -2.108 1.00 0.00 H new ATOM 0 HA SER A 54 -6.596 -6.675 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.604 -6.900 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.439 -5.367 -2.661 1.00 0.00 H new ATOM 0 HG SER A 54 -3.561 -5.839 -0.515 1.00 0.00 H new ATOM 855 N HIS A 55 -6.723 -5.760 -4.370 1.00 0.00 N ATOM 856 CA HIS A 55 -7.146 -5.422 -5.726 1.00 0.00 C ATOM 857 C HIS A 55 -7.683 -4.007 -5.764 1.00 0.00 C ATOM 858 O HIS A 55 -7.781 -3.346 -4.731 1.00 0.00 O ATOM 859 CB HIS A 55 -8.218 -6.384 -6.262 1.00 0.00 C ATOM 860 CG HIS A 55 -9.422 -6.531 -5.382 1.00 0.00 C ATOM 861 ND1 HIS A 55 -9.564 -7.175 -4.209 1.00 0.00 N flip ATOM 862 CD2 HIS A 55 -10.662 -6.002 -5.680 1.00 0.00 C flip ATOM 863 CE1 HIS A 55 -10.870 -7.035 -3.813 1.00 0.00 C flip ATOM 864 NE2 HIS A 55 -11.510 -6.319 -4.722 1.00 0.00 N flip ATOM 0 H HIS A 55 -7.023 -5.088 -3.664 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.268 -5.511 -6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.542 -6.036 -7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.767 -7.366 -6.405 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.833 -7.677 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.899 -5.421 -6.559 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.303 -7.441 -2.911 1.00 0.00 H new ATOM 873 N SER A 56 -8.036 -3.555 -6.947 1.00 0.00 N ATOM 874 CA SER A 56 -8.572 -2.219 -7.119 1.00 0.00 C ATOM 875 C SER A 56 -10.085 -2.227 -6.944 1.00 0.00 C ATOM 876 O SER A 56 -10.782 -3.091 -7.481 1.00 0.00 O ATOM 877 CB SER A 56 -8.179 -1.668 -8.492 1.00 0.00 C ATOM 878 OG SER A 56 -8.399 -2.628 -9.512 1.00 0.00 O ATOM 0 H SER A 56 -7.962 -4.095 -7.809 1.00 0.00 H new ATOM 0 HA SER A 56 -8.150 -1.566 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.757 -0.769 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.129 -1.377 -8.483 1.00 0.00 H new ATOM 0 HG SER A 56 -8.141 -2.250 -10.378 1.00 0.00 H new ATOM 884 N CYS A 57 -10.580 -1.288 -6.158 1.00 0.00 N ATOM 885 CA CYS A 57 -12.007 -1.130 -5.948 1.00 0.00 C ATOM 886 C CYS A 57 -12.363 0.343 -6.012 1.00 0.00 C ATOM 887 O CYS A 57 -11.477 1.187 -6.194 1.00 0.00 O ATOM 888 CB CYS A 57 -12.416 -1.704 -4.593 1.00 0.00 C ATOM 889 SG CYS A 57 -11.470 -1.025 -3.192 1.00 0.00 S ATOM 0 H CYS A 57 -10.006 -0.616 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.543 -1.672 -6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.476 -1.510 -4.432 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.290 -2.786 -4.614 1.00 0.00 H new ATOM 894 N ALA A 58 -13.652 0.650 -5.891 1.00 0.00 N ATOM 895 CA ALA A 58 -14.109 2.030 -5.819 1.00 0.00 C ATOM 896 C ALA A 58 -13.786 2.780 -7.109 1.00 0.00 C ATOM 897 O ALA A 58 -13.478 3.973 -7.087 1.00 0.00 O ATOM 898 CB ALA A 58 -13.477 2.713 -4.610 1.00 0.00 C ATOM 0 H ALA A 58 -14.399 -0.043 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.193 2.041 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.819 3.747 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.768 2.186 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.392 2.695 -4.708 1.00 0.00 H new ATOM 904 N ASN A 59 -13.876 2.065 -8.228 1.00 0.00 N ATOM 905 CA ASN A 59 -13.455 2.577 -9.536 1.00 0.00 C ATOM 906 C ASN A 59 -11.989 3.005 -9.466 1.00 0.00 C ATOM 907 O ASN A 59 -11.616 4.094 -9.903 1.00 0.00 O ATOM 908 CB ASN A 59 -14.342 3.744 -9.996 1.00 0.00 C ATOM 909 CG ASN A 59 -14.248 4.005 -11.495 1.00 0.00 C ATOM 910 OD1 ASN A 59 -13.239 3.706 -12.137 1.00 0.00 O ATOM 911 ND2 ASN A 59 -15.301 4.572 -12.064 1.00 0.00 N ATOM 0 H ASN A 59 -14.243 1.114 -8.257 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.564 1.781 -10.272 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.378 3.532 -9.734 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.055 4.647 -9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.293 4.774 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.120 4.806 -11.503 1.00 0.00 H new ATOM 918 N ASN A 60 -11.179 2.134 -8.871 1.00 0.00 N ATOM 919 CA ASN A 60 -9.742 2.352 -8.690 1.00 0.00 C ATOM 920 C ASN A 60 -9.470 3.620 -7.877 1.00 0.00 C ATOM 921 O ASN A 60 -8.374 4.171 -7.913 1.00 0.00 O ATOM 922 CB ASN A 60 -9.026 2.411 -10.047 1.00 0.00 C ATOM 923 CG ASN A 60 -7.589 1.900 -9.995 1.00 0.00 C ATOM 924 OD1 ASN A 60 -7.095 1.327 -10.969 1.00 0.00 O ATOM 925 ND2 ASN A 60 -6.903 2.101 -8.877 1.00 0.00 N ATOM 0 H ASN A 60 -11.504 1.243 -8.495 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.345 1.506 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.588 1.822 -10.772 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.025 3.441 -10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.938 1.778 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.341 2.578 -8.089 1.00 0.00 H new ATOM 932 N ARG A 61 -10.468 4.071 -7.131 1.00 0.00 N ATOM 933 CA ARG A 61 -10.293 5.205 -6.234 1.00 0.00 C ATOM 934 C ARG A 61 -10.011 4.709 -4.830 1.00 0.00 C ATOM 935 O ARG A 61 -10.252 5.404 -3.854 1.00 0.00 O ATOM 936 CB ARG A 61 -11.527 6.108 -6.234 1.00 0.00 C ATOM 937 CG ARG A 61 -11.698 6.901 -7.516 1.00 0.00 C ATOM 938 CD ARG A 61 -13.006 7.670 -7.523 1.00 0.00 C ATOM 939 NE ARG A 61 -14.168 6.781 -7.589 1.00 0.00 N ATOM 940 CZ ARG A 61 -15.422 7.180 -7.375 1.00 0.00 C ATOM 941 NH1 ARG A 61 -15.668 8.426 -6.991 1.00 0.00 N ATOM 942 NH2 ARG A 61 -16.426 6.325 -7.517 1.00 0.00 N ATOM 0 H ARG A 61 -11.406 3.670 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.447 5.793 -6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.415 5.496 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.461 6.800 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.866 7.596 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.668 6.225 -8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.070 8.283 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.022 8.350 -8.375 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.008 5.799 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.897 9.081 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.628 8.729 -6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.239 5.360 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.385 6.632 -7.353 1.00 0.00 H new ATOM 956 N GLY A 62 -9.537 3.481 -4.747 1.00 0.00 N ATOM 957 CA GLY A 62 -9.133 2.913 -3.485 1.00 0.00 C ATOM 958 C GLY A 62 -8.624 1.502 -3.667 1.00 0.00 C ATOM 959 O GLY A 62 -9.245 0.696 -4.360 1.00 0.00 O ATOM 0 H GLY A 62 -9.424 2.858 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.354 3.530 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.977 2.913 -2.795 1.00 0.00 H new ATOM 963 N TRP A 63 -7.465 1.216 -3.107 1.00 0.00 N ATOM 964 CA TRP A 63 -6.901 -0.125 -3.181 1.00 0.00 C ATOM 965 C TRP A 63 -7.364 -0.975 -1.996 1.00 0.00 C ATOM 966 O TRP A 63 -7.264 -0.559 -0.844 1.00 0.00 O ATOM 967 CB TRP A 63 -5.366 -0.062 -3.238 1.00 0.00 C ATOM 968 CG TRP A 63 -4.722 -1.393 -3.445 1.00 0.00 C ATOM 969 CD1 TRP A 63 -4.163 -2.183 -2.488 1.00 0.00 C ATOM 970 CD2 TRP A 63 -4.568 -2.089 -4.682 1.00 0.00 C ATOM 971 NE1 TRP A 63 -3.675 -3.332 -3.049 1.00 0.00 N ATOM 972 CE2 TRP A 63 -3.912 -3.300 -4.399 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.925 -1.809 -6.002 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.606 -4.228 -5.387 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.622 -2.728 -6.983 1.00 0.00 C ATOM 976 CH2 TRP A 63 -3.969 -3.927 -6.672 1.00 0.00 C ATOM 0 H TRP A 63 -6.894 1.889 -2.596 1.00 0.00 H new ATOM 0 HA TRP A 63 -7.259 -0.596 -4.096 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.068 0.607 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.994 0.373 -2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.112 -1.938 -1.437 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -3.211 -4.088 -2.545 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.430 -0.887 -6.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.101 -5.152 -5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.892 -2.520 -8.008 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.747 -4.629 -7.462 1.00 0.00 H new ATOM 987 N CYS A 64 -7.890 -2.156 -2.295 1.00 0.00 N ATOM 988 CA CYS A 64 -8.326 -3.098 -1.269 1.00 0.00 C ATOM 989 C CYS A 64 -7.150 -3.632 -0.484 1.00 0.00 C ATOM 990 O CYS A 64 -6.200 -4.138 -1.072 1.00 0.00 O ATOM 991 CB CYS A 64 -9.073 -4.266 -1.899 1.00 0.00 C ATOM 992 SG CYS A 64 -10.685 -3.820 -2.611 1.00 0.00 S ATOM 0 H CYS A 64 -8.026 -2.488 -3.250 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.990 -2.560 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.451 -4.702 -2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.223 -5.037 -1.144 1.00 0.00 H new ATOM 997 N ARG A 65 -7.234 -3.525 0.836 1.00 0.00 N ATOM 998 CA ARG A 65 -6.188 -4.010 1.723 1.00 0.00 C ATOM 999 C ARG A 65 -6.803 -4.754 2.903 1.00 0.00 C ATOM 1000 O ARG A 65 -8.010 -4.660 3.135 1.00 0.00 O ATOM 1001 CB ARG A 65 -5.349 -2.848 2.259 1.00 0.00 C ATOM 1002 CG ARG A 65 -4.711 -1.986 1.190 1.00 0.00 C ATOM 1003 CD ARG A 65 -3.281 -1.645 1.561 1.00 0.00 C ATOM 1004 NE ARG A 65 -2.421 -2.826 1.477 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.844 -3.421 2.522 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -2.039 -2.958 3.753 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -1.098 -4.503 2.334 1.00 0.00 N ATOM 0 H ARG A 65 -8.026 -3.101 1.319 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.549 -4.683 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.982 -2.219 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.564 -3.249 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.729 -2.510 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.287 -1.070 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.904 -0.868 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.251 -1.240 2.573 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.251 -3.223 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.633 -2.143 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.594 -3.418 4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.968 -4.876 1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.655 -4.961 3.130 1.00 0.00 H new ATOM 1021 N PRO A 66 -5.997 -5.512 3.664 1.00 0.00 N ATOM 1022 CA PRO A 66 -6.454 -6.110 4.910 1.00 0.00 C ATOM 1023 C PRO A 66 -6.525 -5.054 6.013 1.00 0.00 C ATOM 1024 O PRO A 66 -7.348 -5.136 6.927 1.00 0.00 O ATOM 1025 CB PRO A 66 -5.396 -7.175 5.237 1.00 0.00 C ATOM 1026 CG PRO A 66 -4.403 -7.149 4.117 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.600 -5.858 3.373 1.00 0.00 C ATOM 0 HA PRO A 66 -7.454 -6.537 4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.911 -6.960 6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.853 -8.160 5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.386 -7.218 4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.550 -8.001 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.913 -5.085 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.430 -5.980 2.303 1.00 0.00 H new ATOM 1035 N THR A 67 -5.651 -4.057 5.912 1.00 0.00 N ATOM 1036 CA THR A 67 -5.645 -2.924 6.824 1.00 0.00 C ATOM 1037 C THR A 67 -5.094 -1.692 6.107 1.00 0.00 C ATOM 1038 O THR A 67 -4.200 -1.801 5.264 1.00 0.00 O ATOM 1039 CB THR A 67 -4.804 -3.212 8.084 1.00 0.00 C ATOM 1040 OG1 THR A 67 -5.119 -4.515 8.597 1.00 0.00 O ATOM 1041 CG2 THR A 67 -5.068 -2.173 9.166 1.00 0.00 C ATOM 0 H THR A 67 -4.928 -4.014 5.194 1.00 0.00 H new ATOM 0 HA THR A 67 -6.672 -2.742 7.142 1.00 0.00 H new ATOM 0 HB THR A 67 -3.752 -3.168 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.580 -4.691 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.462 -2.400 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.808 -1.183 8.791 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.123 -2.192 9.439 1.00 0.00 H new ATOM 1049 N CYS A 68 -5.625 -0.535 6.458 1.00 0.00 N ATOM 1050 CA CYS A 68 -5.359 0.703 5.734 1.00 0.00 C ATOM 1051 C CYS A 68 -4.206 1.493 6.347 1.00 0.00 C ATOM 1052 O CYS A 68 -4.068 1.574 7.569 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.643 1.533 5.718 1.00 0.00 C ATOM 1054 SG CYS A 68 -8.040 0.672 4.921 1.00 0.00 S ATOM 0 H CYS A 68 -6.254 -0.423 7.253 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.053 0.460 4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.917 1.788 6.742 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.456 2.471 5.195 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.375 2.053 5.473 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.243 2.885 5.876 1.00 0.00 C ATOM 1061 C PHE A 69 -2.705 4.316 6.173 1.00 0.00 C ATOM 1062 O PHE A 69 -3.869 4.660 5.977 1.00 0.00 O ATOM 1063 CB PHE A 69 -1.176 2.925 4.768 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.532 1.601 4.466 1.00 0.00 C ATOM 1065 CD1 PHE A 69 -0.854 0.896 3.313 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.410 1.070 5.328 1.00 0.00 C ATOM 1067 CE1 PHE A 69 -0.247 -0.313 3.036 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.015 -0.138 5.055 1.00 0.00 C ATOM 1069 CZ PHE A 69 0.689 -0.830 3.908 1.00 0.00 C ATOM 0 H PHE A 69 -3.467 1.943 4.463 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.813 2.447 6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.634 3.307 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.400 3.634 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.586 1.297 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.675 1.608 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.505 -0.854 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.745 -0.543 5.740 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.165 -1.775 3.692 1.00 0.00 H new ATOM 1079 N SER A 70 -1.781 5.148 6.626 1.00 0.00 N ATOM 1080 CA SER A 70 -2.080 6.547 6.908 1.00 0.00 C ATOM 1081 C SER A 70 -2.073 7.374 5.619 1.00 0.00 C ATOM 1082 O SER A 70 -1.031 7.900 5.222 1.00 0.00 O ATOM 1083 CB SER A 70 -1.063 7.085 7.913 1.00 0.00 C ATOM 1084 OG SER A 70 0.243 6.626 7.601 1.00 0.00 O ATOM 0 H SER A 70 -0.814 4.880 6.807 1.00 0.00 H new ATOM 0 HA SER A 70 -3.079 6.624 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.081 8.175 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.335 6.766 8.919 1.00 0.00 H new ATOM 0 HG SER A 70 0.439 6.813 6.659 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.257 7.473 4.995 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.465 8.105 3.682 1.00 0.00 C ATOM 1092 C HIS A 71 -4.647 7.404 3.023 1.00 0.00 C ATOM 1093 O HIS A 71 -5.024 7.700 1.892 1.00 0.00 O ATOM 1094 CB HIS A 71 -2.231 8.045 2.747 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.966 6.709 2.117 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -1.518 6.566 0.827 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.091 5.461 2.605 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -1.378 5.285 0.552 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.721 4.585 1.615 1.00 0.00 N ATOM 0 H HIS A 71 -4.119 7.106 5.400 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.651 9.166 3.847 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.360 8.782 1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.350 8.340 3.317 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -1.324 7.332 0.182 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.423 5.196 3.598 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.039 4.876 -0.388 1.00 0.00 H new ATOM 1108 N GLU A 72 -5.193 6.433 3.750 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.386 5.717 3.340 1.00 0.00 C ATOM 1110 C GLU A 72 -7.248 5.403 4.550 1.00 0.00 C ATOM 1111 O GLU A 72 -6.821 5.574 5.694 1.00 0.00 O ATOM 1112 CB GLU A 72 -6.016 4.425 2.620 1.00 0.00 C ATOM 1113 CG GLU A 72 -4.891 3.675 3.304 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.230 2.615 2.445 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -4.174 1.452 2.880 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.723 2.957 1.358 1.00 0.00 O ATOM 0 H GLU A 72 -4.814 6.123 4.645 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.948 6.350 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.894 3.782 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.723 4.656 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.134 4.392 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.281 3.203 4.206 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.458 4.956 4.288 1.00 0.00 N ATOM 1124 CA TYR A 73 -9.373 4.562 5.335 1.00 0.00 C ATOM 1125 C TYR A 73 -10.234 3.408 4.858 1.00 0.00 C ATOM 1126 O TYR A 73 -10.142 2.983 3.709 1.00 0.00 O ATOM 1127 CB TYR A 73 -10.253 5.740 5.761 1.00 0.00 C ATOM 1128 CG TYR A 73 -11.016 6.392 4.629 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -10.561 7.571 4.062 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -12.188 5.833 4.133 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -11.251 8.179 3.036 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -12.883 6.430 3.102 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.410 7.606 2.557 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.103 8.215 1.537 1.00 0.00 O ATOM 0 H TYR A 73 -8.833 4.856 3.345 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.793 4.242 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.965 5.394 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.626 6.492 6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.651 8.021 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.561 4.915 4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.885 9.101 2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.790 5.981 2.725 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.470 8.614 0.904 1.00 0.00 H new ATOM 1144 N THR A 74 -11.102 2.950 5.732 1.00 0.00 N ATOM 1145 CA THR A 74 -11.903 1.776 5.481 1.00 0.00 C ATOM 1146 C THR A 74 -13.234 2.175 4.882 1.00 0.00 C ATOM 1147 O THR A 74 -14.189 2.473 5.600 1.00 0.00 O ATOM 1148 CB THR A 74 -12.142 0.979 6.778 1.00 0.00 C ATOM 1149 OG1 THR A 74 -10.885 0.549 7.317 1.00 0.00 O ATOM 1150 CG2 THR A 74 -13.032 -0.229 6.527 1.00 0.00 C ATOM 0 H THR A 74 -11.272 3.384 6.639 1.00 0.00 H new ATOM 0 HA THR A 74 -11.360 1.142 4.780 1.00 0.00 H new ATOM 0 HB THR A 74 -12.647 1.631 7.491 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.769 0.924 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.182 -0.771 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.996 0.103 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.557 -0.886 5.799 1.00 0.00 H new ATOM 1158 N ASP A 75 -13.288 2.216 3.569 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.534 2.487 2.896 1.00 0.00 C ATOM 1160 C ASP A 75 -15.386 1.232 2.933 1.00 0.00 C ATOM 1161 O ASP A 75 -15.032 0.210 2.336 1.00 0.00 O ATOM 1162 CB ASP A 75 -14.303 2.942 1.461 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.589 3.373 0.798 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -16.328 2.495 0.313 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -15.865 4.591 0.765 1.00 0.00 O ATOM 0 H ASP A 75 -12.489 2.066 2.952 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.049 3.300 3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.594 3.769 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.853 2.130 0.890 1.00 0.00 H new ATOM 1170 N TRP A 76 -16.475 1.307 3.683 1.00 0.00 N ATOM 1171 CA TRP A 76 -17.343 0.165 3.918 1.00 0.00 C ATOM 1172 C TRP A 76 -18.268 -0.119 2.736 1.00 0.00 C ATOM 1173 O TRP A 76 -18.846 -1.201 2.649 1.00 0.00 O ATOM 1174 CB TRP A 76 -18.148 0.380 5.199 1.00 0.00 C ATOM 1175 CG TRP A 76 -17.299 0.281 6.430 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.725 1.305 7.127 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -16.901 -0.922 7.091 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -16.006 0.811 8.190 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -16.099 -0.555 8.188 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -17.152 -2.274 6.864 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -15.545 -1.493 9.052 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -16.600 -3.205 7.719 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -15.804 -2.811 8.802 1.00 0.00 C ATOM 0 H TRP A 76 -16.781 2.163 4.146 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.708 -0.713 4.033 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.623 1.361 5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -18.947 -0.360 5.251 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.822 2.352 6.879 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -15.489 1.370 8.868 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.768 -2.587 6.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -14.933 -1.191 9.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -16.785 -4.256 7.551 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -15.386 -3.565 9.453 1.00 0.00 H new ATOM 1194 N PHE A 77 -18.395 0.834 1.822 1.00 0.00 N ATOM 1195 CA PHE A 77 -19.201 0.628 0.623 1.00 0.00 C ATOM 1196 C PHE A 77 -18.457 -0.289 -0.338 1.00 0.00 C ATOM 1197 O PHE A 77 -18.942 -1.357 -0.738 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.503 1.964 -0.059 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.387 1.831 -1.266 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -21.744 1.611 -1.113 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -19.866 1.932 -2.545 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -22.569 1.492 -2.216 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -20.684 1.813 -3.653 1.00 0.00 C ATOM 1204 CZ PHE A 77 -22.039 1.594 -3.486 1.00 0.00 C ATOM 0 H PHE A 77 -17.954 1.752 1.886 1.00 0.00 H new ATOM 0 HA PHE A 77 -20.146 0.166 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -19.980 2.631 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.565 2.433 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -22.164 1.531 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -18.808 2.106 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -23.627 1.319 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.266 1.891 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 77 -22.682 1.503 -4.349 1.00 0.00 H new ATOM 1214 N ASN A 78 -17.254 0.116 -0.685 1.00 0.00 N ATOM 1215 CA ASN A 78 -16.433 -0.671 -1.577 1.00 0.00 C ATOM 1216 C ASN A 78 -15.782 -1.815 -0.806 1.00 0.00 C ATOM 1217 O ASN A 78 -15.120 -2.670 -1.376 1.00 0.00 O ATOM 1218 CB ASN A 78 -15.384 0.200 -2.261 1.00 0.00 C ATOM 1219 CG ASN A 78 -15.987 1.388 -2.989 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -16.461 1.264 -4.118 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -15.957 2.552 -2.352 1.00 0.00 N ATOM 0 H ASN A 78 -16.825 0.984 -0.363 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.066 -1.094 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.675 0.559 -1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.821 -0.407 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.336 3.387 -2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.555 2.611 -1.417 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.972 -1.817 0.505 1.00 0.00 N ATOM 1229 CA ASN A 79 -15.609 -2.962 1.329 1.00 0.00 C ATOM 1230 C ASN A 79 -16.488 -4.138 0.927 1.00 0.00 C ATOM 1231 O ASN A 79 -16.044 -5.284 0.882 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.809 -2.623 2.809 1.00 0.00 C ATOM 1233 CG ASN A 79 -15.188 -3.620 3.771 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -15.085 -4.810 3.492 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -14.768 -3.125 4.924 1.00 0.00 N ATOM 0 H ASN A 79 -16.376 -1.037 1.023 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.560 -3.219 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.386 -1.637 3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.878 -2.557 3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.341 -3.739 5.617 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.871 -2.129 5.119 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.740 -3.828 0.599 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.691 -4.835 0.140 1.00 0.00 C ATOM 1244 C ASP A 80 -18.209 -5.500 -1.138 1.00 0.00 C ATOM 1245 O ASP A 80 -18.301 -6.720 -1.275 1.00 0.00 O ATOM 1246 CB ASP A 80 -20.074 -4.226 -0.100 1.00 0.00 C ATOM 1247 CG ASP A 80 -20.809 -3.898 1.180 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -21.159 -2.719 1.387 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -21.050 -4.822 1.985 1.00 0.00 O ATOM 0 H ASP A 80 -18.120 -2.882 0.643 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.766 -5.585 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.966 -3.318 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.673 -4.921 -0.688 1.00 0.00 H new ATOM 1254 N VAL A 81 -17.688 -4.704 -2.075 1.00 0.00 N ATOM 1255 CA VAL A 81 -17.219 -5.257 -3.348 1.00 0.00 C ATOM 1256 C VAL A 81 -15.984 -6.139 -3.149 1.00 0.00 C ATOM 1257 O VAL A 81 -15.677 -6.989 -3.987 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.911 -4.162 -4.404 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -18.059 -3.169 -4.500 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -15.602 -3.441 -4.122 1.00 0.00 C ATOM 0 H VAL A 81 -17.581 -3.694 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 81 -18.040 -5.864 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.800 -4.666 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.822 -2.410 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.970 -3.693 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.209 -2.692 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.431 -2.685 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.654 -2.962 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.782 -4.159 -4.131 1.00 0.00 H new ATOM 1270 N CYS A 82 -15.287 -5.943 -2.036 1.00 0.00 N ATOM 1271 CA CYS A 82 -14.096 -6.725 -1.735 1.00 0.00 C ATOM 1272 C CYS A 82 -14.443 -7.974 -0.927 1.00 0.00 C ATOM 1273 O CYS A 82 -13.810 -9.019 -1.077 1.00 0.00 O ATOM 1274 CB CYS A 82 -13.088 -5.875 -0.968 1.00 0.00 C ATOM 1275 SG CYS A 82 -12.554 -4.382 -1.861 1.00 0.00 S ATOM 0 H CYS A 82 -15.527 -5.249 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.656 -7.042 -2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.527 -5.579 -0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -12.213 -6.483 -0.741 1.00 0.00 H new ATOM 1280 N GLY A 83 -15.445 -7.855 -0.068 1.00 0.00 N ATOM 1281 CA GLY A 83 -15.865 -8.979 0.742 1.00 0.00 C ATOM 1282 C GLY A 83 -14.964 -9.187 1.941 1.00 0.00 C ATOM 1283 O GLY A 83 -15.284 -8.750 3.048 1.00 0.00 O ATOM 0 H GLY A 83 -15.976 -6.997 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.888 -8.818 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.870 -9.882 0.132 1.00 0.00 H new ATOM 1287 N SER A 84 -13.835 -9.851 1.720 1.00 0.00 N ATOM 1288 CA SER A 84 -12.877 -10.110 2.783 1.00 0.00 C ATOM 1289 C SER A 84 -12.098 -8.847 3.125 1.00 0.00 C ATOM 1290 O SER A 84 -12.042 -8.431 4.284 1.00 0.00 O ATOM 1291 CB SER A 84 -11.908 -11.221 2.368 1.00 0.00 C ATOM 1292 OG SER A 84 -12.605 -12.416 2.055 1.00 0.00 O ATOM 0 H SER A 84 -13.562 -10.220 0.809 1.00 0.00 H new ATOM 0 HA SER A 84 -13.429 -10.431 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.328 -10.898 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.200 -11.410 3.175 1.00 0.00 H new ATOM 0 HG SER A 84 -11.964 -13.109 1.791 1.00 0.00 H new ATOM 1298 N TYR A 85 -11.514 -8.229 2.107 1.00 0.00 N ATOM 1299 CA TYR A 85 -10.708 -7.035 2.299 1.00 0.00 C ATOM 1300 C TYR A 85 -11.571 -5.799 2.435 1.00 0.00 C ATOM 1301 O TYR A 85 -12.753 -5.804 2.094 1.00 0.00 O ATOM 1302 CB TYR A 85 -9.735 -6.851 1.136 1.00 0.00 C ATOM 1303 CG TYR A 85 -8.426 -7.577 1.320 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -8.270 -8.541 2.310 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -7.338 -7.292 0.511 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -7.070 -9.197 2.480 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -6.147 -7.940 0.679 1.00 0.00 C ATOM 1308 CZ TYR A 85 -6.010 -8.892 1.658 1.00 0.00 C ATOM 1309 OH TYR A 85 -4.811 -9.550 1.803 1.00 0.00 O ATOM 0 H TYR A 85 -11.585 -8.538 1.137 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.147 -7.168 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.209 -7.201 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.535 -5.787 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.102 -8.779 2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.433 -6.546 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.963 -9.944 3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.310 -7.702 0.039 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.086 -8.987 1.460 1.00 0.00 H new ATOM 1319 N ARG A 86 -10.965 -4.748 2.946 1.00 0.00 N ATOM 1320 CA ARG A 86 -11.623 -3.466 3.070 1.00 0.00 C ATOM 1321 C ARG A 86 -11.095 -2.542 1.990 1.00 0.00 C ATOM 1322 O ARG A 86 -9.937 -2.658 1.582 1.00 0.00 O ATOM 1323 CB ARG A 86 -11.367 -2.871 4.456 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.895 -2.635 4.765 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.687 -2.173 6.197 1.00 0.00 C ATOM 1326 NE ARG A 86 -10.018 -3.217 7.167 1.00 0.00 N ATOM 1327 CZ ARG A 86 -10.436 -2.977 8.409 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -10.640 -1.731 8.821 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -10.666 -3.987 9.236 1.00 0.00 N ATOM 0 H ARG A 86 -10.004 -4.759 3.287 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.699 -3.590 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.901 -1.925 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.784 -3.539 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.336 -3.555 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.495 -1.887 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.649 -1.870 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.303 -1.294 6.387 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.923 -4.189 6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.477 -0.950 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.960 -1.555 9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.523 -4.947 8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.986 -3.805 10.187 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.927 -1.635 1.511 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.491 -0.744 0.460 1.00 0.00 C ATOM 1345 C CYS A 87 -10.793 0.453 1.064 1.00 0.00 C ATOM 1346 O CYS A 87 -11.427 1.302 1.691 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.661 -0.289 -0.398 1.00 0.00 C ATOM 1348 SG CYS A 87 -12.152 0.613 -1.899 1.00 0.00 S ATOM 0 H CYS A 87 -12.887 -1.499 1.827 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.796 -1.285 -0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -13.249 -1.160 -0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -13.312 0.351 0.198 1.00 0.00 H new ATOM 1353 N CYS A 88 -9.487 0.508 0.895 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.704 1.582 1.456 1.00 0.00 C ATOM 1355 C CYS A 88 -8.761 2.806 0.560 1.00 0.00 C ATOM 1356 O CYS A 88 -7.962 2.985 -0.360 1.00 0.00 O ATOM 1357 CB CYS A 88 -7.281 1.111 1.713 1.00 0.00 C ATOM 1358 SG CYS A 88 -7.193 -0.151 3.028 1.00 0.00 S ATOM 0 H CYS A 88 -8.948 -0.182 0.372 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.126 1.876 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.865 0.702 0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.663 1.965 1.991 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.759 3.626 0.838 1.00 0.00 N ATOM 1364 CA ARG A 89 -10.022 4.846 0.105 1.00 0.00 C ATOM 1365 C ARG A 89 -9.069 5.941 0.591 1.00 0.00 C ATOM 1366 O ARG A 89 -8.810 6.027 1.786 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.461 5.255 0.390 1.00 0.00 C ATOM 1368 CG ARG A 89 -12.037 6.261 -0.575 1.00 0.00 C ATOM 1369 CD ARG A 89 -12.577 5.645 -1.845 1.00 0.00 C ATOM 1370 NE ARG A 89 -13.715 6.435 -2.275 1.00 0.00 N ATOM 1371 CZ ARG A 89 -14.328 6.349 -3.448 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -13.830 5.597 -4.404 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -15.425 7.058 -3.676 1.00 0.00 N ATOM 0 H ARG A 89 -10.421 3.457 1.595 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.873 4.697 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.086 4.362 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.514 5.668 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.838 6.810 -0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.266 6.987 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.809 5.630 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.874 4.611 -1.671 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.078 7.121 -1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.968 5.076 -4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.306 5.535 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.797 7.669 -2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.897 6.992 -4.578 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.549 6.794 -0.313 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.578 7.837 0.052 1.00 0.00 C ATOM 1389 C PRO A 90 -8.134 8.813 1.091 1.00 0.00 C ATOM 1390 O PRO A 90 -9.149 9.475 0.857 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.309 8.575 -1.267 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.770 7.654 -2.345 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.867 6.823 -1.748 1.00 0.00 C ATOM 0 HA PRO A 90 -6.684 7.406 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.848 9.521 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.250 8.807 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.132 8.215 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.952 7.025 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.847 7.264 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.885 5.820 -2.173 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.463 8.895 2.232 1.00 0.00 N ATOM 1402 CA GLY A 91 -7.888 9.789 3.289 1.00 0.00 C ATOM 1403 C GLY A 91 -7.584 9.241 4.671 1.00 0.00 C ATOM 1404 O GLY A 91 -6.511 8.664 4.904 1.00 0.00 O ATOM 0 H GLY A 91 -6.625 8.353 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.393 10.752 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.960 9.968 3.200 1.00 0.00 H new ATOM 1408 N ARG A 92 -8.531 9.418 5.588 1.00 0.00 N ATOM 1409 CA ARG A 92 -8.366 8.965 6.961 1.00 0.00 C ATOM 1410 C ARG A 92 -9.662 9.151 7.746 1.00 0.00 C ATOM 1411 O ARG A 92 -9.662 9.729 8.831 1.00 0.00 O ATOM 1412 CB ARG A 92 -7.250 9.759 7.628 1.00 0.00 C ATOM 1413 CG ARG A 92 -6.178 8.916 8.312 1.00 0.00 C ATOM 1414 CD ARG A 92 -6.693 8.192 9.550 1.00 0.00 C ATOM 1415 NE ARG A 92 -7.462 6.990 9.228 1.00 0.00 N ATOM 1416 CZ ARG A 92 -6.978 5.751 9.325 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -5.722 5.548 9.712 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -7.752 4.711 9.045 1.00 0.00 N ATOM 0 H ARG A 92 -9.424 9.874 5.401 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.111 7.905 6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.772 10.387 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.692 10.427 8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.792 8.183 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.343 9.558 8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.848 7.918 10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.317 8.872 10.129 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.424 7.106 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.123 6.342 9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.358 4.598 9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.719 4.858 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.380 3.764 9.120 1.00 0.00 H new HETATM 1432 N AAR A 93 -10.762 8.680 7.178 1.00 0.00 N HETATM 1433 CA AAR A 93 -12.066 8.750 7.830 1.00 0.00 C HETATM 1434 CB AAR A 93 -13.171 8.392 6.833 1.00 0.00 C HETATM 1435 CG AAR A 93 -13.428 9.455 5.777 1.00 0.00 C HETATM 1436 CD AAR A 93 -14.601 9.078 4.880 1.00 0.00 C HETATM 1437 NE AAR A 93 -14.779 10.031 3.785 1.00 0.00 N HETATM 1438 CZ AAR A 93 -15.620 9.856 2.763 1.00 0.00 C HETATM 1439 NH1 AAR A 93 -15.698 10.771 1.803 1.00 0.00 N HETATM 1440 NH2 AAR A 93 -16.381 8.770 2.697 1.00 0.00 N HETATM 1441 C AAR A 93 -12.133 7.805 9.029 1.00 0.00 C HETATM 1442 O AAR A 93 -12.612 6.678 8.918 1.00 0.00 O HETATM 1443 NT AAR A 93 -11.662 8.264 10.176 1.00 0.00 N HETATM 0 HH22 AAR A 93 -17.021 8.643 1.913 1.00 0.00 H new HETATM 0 HH21 AAR A 93 -16.325 8.063 3.430 1.00 0.00 H new HETATM 0 HH12 AAR A 93 -16.340 10.637 1.022 1.00 0.00 H new HETATM 0 HH11 AAR A 93 -15.115 11.607 1.847 1.00 0.00 H new HETATM 0 HG3 AAR A 93 -13.631 10.410 6.262 1.00 0.00 H new HETATM 0 HG2 AAR A 93 -12.533 9.590 5.170 1.00 0.00 H new HETATM 0 HE AAR A 93 -14.224 10.886 3.803 1.00 0.00 H new HETATM 0 HD3 AAR A 93 -14.439 8.081 4.471 1.00 0.00 H new HETATM 0 HD2 AAR A 93 -15.513 9.034 5.475 1.00 0.00 H new HETATM 0 HB3 AAR A 93 -12.907 7.459 6.336 1.00 0.00 H new HETATM 0 HB2 AAR A 93 -14.095 8.211 7.382 1.00 0.00 H new HETATM 0 HA AAR A 93 -12.211 9.770 8.185 1.00 0.00 H new HETATM 0 H2 AAR A 93 -10.826 8.626 10.635 1.00 0.00 H new HETATM 0 H AAR A 93 -10.697 8.420 6.194 1.00 0.00 H new TER 1459 AAR A 93