USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 402 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 6 THR OG1 : rot -63:sc= 0.515 USER MOD Set 1.2: A 66 ASN : amide:sc= -12.4! C(o=-12!,f=-20!) USER MOD Single : A 1 ILE N :NH3+ 158:sc= -0.0913 (180deg=-0.315) USER MOD Single : A 4 HIS : no HD1:sc= -4.76 K(o=-4.8,f=-2.2) USER MOD Single : A 5 THR OG1 : rot -50:sc= -1.83 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.4) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.13) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -42:sc= 0.389 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= -3.42! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= -0.0592 (180deg=-0.322) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 150:sc= -1.99 USER MOD Single : A 58 THR OG1 : rot -85:sc= 0.0842 USER MOD Single : A 61 SER OG : rot -47:sc= 0.966 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 1.04 (180deg=-0.402) USER MOD Single : A 68 HIS : no HE2:sc= -5.14! X(o=-5.1!,f=-4.7) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.473 10.708 0.379 1.00 0.00 N ATOM 2 CA ILE A 1 -3.114 10.362 -0.113 1.00 0.00 C ATOM 3 C ILE A 1 -2.195 9.989 1.043 1.00 0.00 C ATOM 4 O ILE A 1 -1.566 10.859 1.647 1.00 0.00 O ATOM 5 CB ILE A 1 -2.483 11.530 -0.909 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.037 11.202 -1.296 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.539 12.824 -0.108 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.660 11.674 -2.683 1.00 0.00 C ATOM 0 H1 ILE A 1 -4.958 11.298 -0.327 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.018 9.836 0.535 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.395 11.233 1.274 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.225 9.505 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.062 11.668 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.363 11.658 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.889 10.124 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.090 13.630 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.578 13.071 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.990 12.698 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.377 11.408 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.309 11.199 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -0.775 12.756 -2.743 1.00 0.00 H new ATOM 22 N VAL A 2 -2.112 8.695 1.346 1.00 0.00 N ATOM 23 CA VAL A 2 -1.258 8.228 2.431 1.00 0.00 C ATOM 24 C VAL A 2 -1.282 6.699 2.576 1.00 0.00 C ATOM 25 O VAL A 2 -0.488 6.004 1.944 1.00 0.00 O ATOM 26 CB VAL A 2 -1.635 8.885 3.777 1.00 0.00 C ATOM 27 CG1 VAL A 2 -0.746 10.092 4.051 1.00 0.00 C ATOM 28 CG2 VAL A 2 -3.106 9.281 3.794 1.00 0.00 C ATOM 0 H VAL A 2 -2.622 7.958 0.859 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.244 8.527 2.165 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.474 8.155 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.026 10.542 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.296 9.775 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.871 10.824 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.348 9.742 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.301 9.991 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.723 8.394 3.652 1.00 0.00 H new ATOM 38 N CYS A 3 -2.170 6.176 3.426 1.00 0.00 N ATOM 39 CA CYS A 3 -2.241 4.731 3.654 1.00 0.00 C ATOM 40 C CYS A 3 -2.763 3.973 2.432 1.00 0.00 C ATOM 41 O CYS A 3 -1.998 3.677 1.514 1.00 0.00 O ATOM 42 CB CYS A 3 -3.084 4.412 4.902 1.00 0.00 C ATOM 43 SG CYS A 3 -2.125 3.926 6.382 1.00 0.00 S ATOM 0 H CYS A 3 -2.842 6.725 3.962 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.222 4.387 3.828 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.685 5.287 5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.778 3.608 4.657 1.00 0.00 H new ATOM 48 N HIS A 4 -4.050 3.623 2.427 1.00 0.00 N ATOM 49 CA HIS A 4 -4.615 2.856 1.309 1.00 0.00 C ATOM 50 C HIS A 4 -5.993 3.363 0.883 1.00 0.00 C ATOM 51 O HIS A 4 -6.876 3.587 1.710 1.00 0.00 O ATOM 52 CB HIS A 4 -4.687 1.379 1.693 1.00 0.00 C ATOM 53 CG HIS A 4 -4.460 1.165 3.147 1.00 0.00 C ATOM 54 ND1 HIS A 4 -5.469 0.855 4.021 1.00 0.00 N ATOM 55 CD2 HIS A 4 -3.336 1.276 3.884 1.00 0.00 C ATOM 56 CE1 HIS A 4 -4.979 0.787 5.246 1.00 0.00 C ATOM 57 NE2 HIS A 4 -3.680 1.039 5.191 1.00 0.00 N ATOM 0 H HIS A 4 -4.713 3.852 3.168 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.956 2.988 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.663 0.981 1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.943 0.821 1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.348 1.508 3.514 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.542 0.564 6.140 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.042 1.054 5.987 1.00 0.00 H new ATOM 66 N THR A 5 -6.144 3.555 -0.428 1.00 0.00 N ATOM 67 CA THR A 5 -7.380 4.052 -1.012 1.00 0.00 C ATOM 68 C THR A 5 -8.252 2.916 -1.535 1.00 0.00 C ATOM 69 O THR A 5 -7.816 2.104 -2.350 1.00 0.00 O ATOM 70 CB THR A 5 -7.061 5.023 -2.156 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.853 6.328 -1.651 1.00 0.00 O ATOM 72 CG2 THR A 5 -8.160 5.110 -3.201 1.00 0.00 C ATOM 0 H THR A 5 -5.410 3.369 -1.111 1.00 0.00 H new ATOM 0 HA THR A 5 -7.934 4.569 -0.229 1.00 0.00 H new ATOM 0 HB THR A 5 -6.164 4.626 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.595 6.572 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.867 5.814 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.320 4.127 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.082 5.451 -2.731 1.00 0.00 H new ATOM 80 N THR A 6 -9.494 2.890 -1.080 1.00 0.00 N ATOM 81 CA THR A 6 -10.449 1.884 -1.509 1.00 0.00 C ATOM 82 C THR A 6 -11.835 2.504 -1.619 1.00 0.00 C ATOM 83 O THR A 6 -12.844 1.850 -1.356 1.00 0.00 O ATOM 84 CB THR A 6 -10.473 0.706 -0.530 1.00 0.00 C ATOM 85 OG1 THR A 6 -9.462 0.848 0.453 1.00 0.00 O ATOM 86 CG2 THR A 6 -10.273 -0.634 -1.203 1.00 0.00 C ATOM 0 H THR A 6 -9.866 3.561 -0.408 1.00 0.00 H new ATOM 0 HA THR A 6 -10.145 1.509 -2.486 1.00 0.00 H new ATOM 0 HB THR A 6 -11.466 0.725 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.582 0.821 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.301 -1.425 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.066 -0.797 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.307 -0.647 -1.709 1.00 0.00 H new ATOM 94 N ALA A 7 -11.874 3.779 -2.002 1.00 0.00 N ATOM 95 CA ALA A 7 -13.139 4.489 -2.135 1.00 0.00 C ATOM 96 C ALA A 7 -12.973 5.765 -2.966 1.00 0.00 C ATOM 97 O ALA A 7 -12.272 5.764 -3.978 1.00 0.00 O ATOM 98 CB ALA A 7 -13.702 4.796 -0.753 1.00 0.00 C ATOM 0 H ALA A 7 -11.049 4.336 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.846 3.852 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.648 5.327 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.866 3.864 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.995 5.417 -0.202 1.00 0.00 H new ATOM 104 N THR A 8 -13.625 6.849 -2.545 1.00 0.00 N ATOM 105 CA THR A 8 -13.547 8.116 -3.265 1.00 0.00 C ATOM 106 C THR A 8 -13.136 9.256 -2.335 1.00 0.00 C ATOM 107 O THR A 8 -11.990 9.704 -2.356 1.00 0.00 O ATOM 108 CB THR A 8 -14.895 8.433 -3.919 1.00 0.00 C ATOM 109 OG1 THR A 8 -15.939 7.696 -3.305 1.00 0.00 O ATOM 110 CG2 THR A 8 -14.928 8.126 -5.400 1.00 0.00 C ATOM 0 H THR A 8 -14.211 6.873 -1.711 1.00 0.00 H new ATOM 0 HA THR A 8 -12.785 8.018 -4.039 1.00 0.00 H new ATOM 0 HB THR A 8 -15.036 9.505 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.791 7.915 -3.737 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.911 8.373 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.168 8.717 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.729 7.066 -5.556 1.00 0.00 H new ATOM 223 N PRO A 17 2.414 12.731 9.718 1.00 0.00 N ATOM 224 CA PRO A 17 2.596 14.172 9.478 1.00 0.00 C ATOM 225 C PRO A 17 3.095 14.515 8.069 1.00 0.00 C ATOM 226 O PRO A 17 2.493 15.346 7.388 1.00 0.00 O ATOM 227 CB PRO A 17 3.629 14.600 10.530 1.00 0.00 C ATOM 228 CG PRO A 17 3.660 13.493 11.531 1.00 0.00 C ATOM 229 CD PRO A 17 3.296 12.239 10.786 1.00 0.00 C ATOM 0 HA PRO A 17 1.641 14.692 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.610 14.749 10.079 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.346 15.544 10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.648 13.404 11.982 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.956 13.682 12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.177 11.739 10.383 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.788 11.521 11.430 1.00 0.00 H new ATOM 237 N PRO A 18 4.204 13.906 7.607 1.00 0.00 N ATOM 238 CA PRO A 18 4.759 14.194 6.275 1.00 0.00 C ATOM 239 C PRO A 18 3.746 13.983 5.146 1.00 0.00 C ATOM 240 O PRO A 18 2.548 13.836 5.394 1.00 0.00 O ATOM 241 CB PRO A 18 5.927 13.212 6.148 1.00 0.00 C ATOM 242 CG PRO A 18 6.291 12.860 7.549 1.00 0.00 C ATOM 243 CD PRO A 18 5.012 12.910 8.337 1.00 0.00 C ATOM 0 HA PRO A 18 5.055 15.239 6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.638 12.327 5.581 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.768 13.665 5.624 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.740 11.868 7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.023 13.561 7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.520 11.938 8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.187 13.212 9.370 1.00 0.00 H new ATOM 251 N GLY A 19 4.233 13.979 3.902 1.00 0.00 N ATOM 252 CA GLY A 19 3.353 13.797 2.754 1.00 0.00 C ATOM 253 C GLY A 19 3.782 12.646 1.857 1.00 0.00 C ATOM 254 O GLY A 19 4.866 12.093 2.026 1.00 0.00 O ATOM 0 H GLY A 19 5.219 14.098 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.337 13.618 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.330 14.717 2.170 1.00 0.00 H new ATOM 258 N GLU A 20 2.924 12.281 0.903 1.00 0.00 N ATOM 259 CA GLU A 20 3.222 11.179 -0.012 1.00 0.00 C ATOM 260 C GLU A 20 3.353 9.880 0.774 1.00 0.00 C ATOM 261 O GLU A 20 3.713 9.914 1.945 1.00 0.00 O ATOM 262 CB GLU A 20 4.512 11.460 -0.786 1.00 0.00 C ATOM 263 CG GLU A 20 4.601 12.879 -1.323 1.00 0.00 C ATOM 264 CD GLU A 20 5.964 13.199 -1.903 1.00 0.00 C ATOM 265 OE1 GLU A 20 6.655 12.259 -2.350 1.00 0.00 O ATOM 266 OE2 GLU A 20 6.342 14.390 -1.912 1.00 0.00 O ATOM 0 H GLU A 20 2.022 12.730 0.744 1.00 0.00 H new ATOM 0 HA GLU A 20 2.405 11.084 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.365 11.273 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.587 10.760 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.841 13.021 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.378 13.582 -0.520 1.00 0.00 H new ATOM 273 N ASN A 21 3.053 8.741 0.136 1.00 0.00 N ATOM 274 CA ASN A 21 3.135 7.437 0.803 1.00 0.00 C ATOM 275 C ASN A 21 2.659 7.527 2.258 1.00 0.00 C ATOM 276 O ASN A 21 1.488 7.294 2.551 1.00 0.00 O ATOM 277 CB ASN A 21 4.567 6.898 0.743 1.00 0.00 C ATOM 278 CG ASN A 21 4.827 6.094 -0.516 1.00 0.00 C ATOM 279 OD1 ASN A 21 4.517 4.905 -0.581 1.00 0.00 O ATOM 280 ND2 ASN A 21 5.398 6.742 -1.524 1.00 0.00 N ATOM 0 H ASN A 21 2.752 8.697 -0.838 1.00 0.00 H new ATOM 0 HA ASN A 21 2.476 6.747 0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.269 7.731 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.754 6.273 1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.597 6.253 -2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.638 7.728 -1.425 1.00 0.00 H new ATOM 287 N LEU A 22 3.570 7.889 3.160 1.00 0.00 N ATOM 288 CA LEU A 22 3.242 8.040 4.576 1.00 0.00 C ATOM 289 C LEU A 22 2.475 6.834 5.107 1.00 0.00 C ATOM 290 O LEU A 22 1.710 6.950 6.061 1.00 0.00 O ATOM 291 CB LEU A 22 2.411 9.311 4.776 1.00 0.00 C ATOM 292 CG LEU A 22 3.203 10.609 5.006 1.00 0.00 C ATOM 293 CD1 LEU A 22 3.173 10.993 6.473 1.00 0.00 C ATOM 294 CD2 LEU A 22 4.646 10.487 4.526 1.00 0.00 C ATOM 0 H LEU A 22 4.545 8.084 2.933 1.00 0.00 H new ATOM 0 HA LEU A 22 4.176 8.113 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.776 9.447 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.749 9.157 5.628 1.00 0.00 H new ATOM 0 HG LEU A 22 2.723 11.392 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.738 11.914 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.141 11.146 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.619 10.195 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.170 11.425 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.143 9.683 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.657 10.265 3.459 1.00 0.00 H new ATOM 306 N CYS A 23 2.686 5.688 4.469 1.00 0.00 N ATOM 307 CA CYS A 23 2.026 4.433 4.831 1.00 0.00 C ATOM 308 C CYS A 23 2.004 3.538 3.609 1.00 0.00 C ATOM 309 O CYS A 23 0.978 2.978 3.223 1.00 0.00 O ATOM 310 CB CYS A 23 0.611 4.687 5.332 1.00 0.00 C ATOM 311 SG CYS A 23 -0.372 3.190 5.666 1.00 0.00 S ATOM 0 H CYS A 23 3.325 5.600 3.679 1.00 0.00 H new ATOM 0 HA CYS A 23 2.575 3.950 5.639 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.667 5.278 6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.084 5.291 4.594 1.00 0.00 H new ATOM 316 N TYR A 24 3.165 3.451 2.998 1.00 0.00 N ATOM 317 CA TYR A 24 3.374 2.671 1.787 1.00 0.00 C ATOM 318 C TYR A 24 2.620 1.346 1.813 1.00 0.00 C ATOM 319 O TYR A 24 2.200 0.869 2.867 1.00 0.00 O ATOM 320 CB TYR A 24 4.870 2.419 1.580 1.00 0.00 C ATOM 321 CG TYR A 24 5.637 2.077 2.847 1.00 0.00 C ATOM 322 CD1 TYR A 24 4.992 1.584 3.976 1.00 0.00 C ATOM 323 CD2 TYR A 24 7.016 2.239 2.903 1.00 0.00 C ATOM 324 CE1 TYR A 24 5.698 1.264 5.120 1.00 0.00 C ATOM 325 CE2 TYR A 24 7.729 1.922 4.045 1.00 0.00 C ATOM 326 CZ TYR A 24 7.065 1.434 5.149 1.00 0.00 C ATOM 327 OH TYR A 24 7.770 1.115 6.287 1.00 0.00 O ATOM 0 H TYR A 24 4.005 3.925 3.329 1.00 0.00 H new ATOM 0 HA TYR A 24 2.978 3.252 0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.992 1.604 0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.315 3.306 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.921 1.449 3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.541 2.619 2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.180 0.882 5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.800 2.056 4.071 1.00 0.00 H new ATOM 0 HH TYR A 24 8.723 1.292 6.142 1.00 0.00 H new ATOM 337 N ARG A 25 2.461 0.759 0.636 1.00 0.00 N ATOM 338 CA ARG A 25 1.773 -0.510 0.496 1.00 0.00 C ATOM 339 C ARG A 25 2.710 -1.511 -0.157 1.00 0.00 C ATOM 340 O ARG A 25 2.518 -1.923 -1.300 1.00 0.00 O ATOM 341 CB ARG A 25 0.494 -0.316 -0.317 1.00 0.00 C ATOM 342 CG ARG A 25 -0.482 0.644 0.350 1.00 0.00 C ATOM 343 CD ARG A 25 -1.607 -0.098 1.070 1.00 0.00 C ATOM 344 NE ARG A 25 -1.158 -1.363 1.664 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.927 -2.143 2.421 1.00 0.00 C ATOM 346 NH1 ARG A 25 -3.175 -1.793 2.697 1.00 0.00 N ATOM 347 NH2 ARG A 25 -1.443 -3.280 2.904 1.00 0.00 N ATOM 0 H ARG A 25 2.804 1.148 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 25 1.486 -0.897 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.750 0.062 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.008 -1.281 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.054 1.270 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.908 1.309 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.017 0.541 1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.415 -0.298 0.366 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.199 -1.662 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.553 -0.920 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.757 -2.396 3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.483 -3.555 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.031 -3.879 3.484 1.00 0.00 H new ATOM 361 N LYS A 26 3.747 -1.861 0.593 1.00 0.00 N ATOM 362 CA LYS A 26 4.782 -2.783 0.126 1.00 0.00 C ATOM 363 C LYS A 26 4.311 -4.230 0.135 1.00 0.00 C ATOM 364 O LYS A 26 3.361 -4.584 0.831 1.00 0.00 O ATOM 365 CB LYS A 26 6.043 -2.657 0.991 1.00 0.00 C ATOM 366 CG LYS A 26 6.333 -1.242 1.472 1.00 0.00 C ATOM 367 CD LYS A 26 6.397 -1.173 2.991 1.00 0.00 C ATOM 368 CE LYS A 26 5.067 -1.550 3.624 1.00 0.00 C ATOM 369 NZ LYS A 26 5.186 -1.748 5.096 1.00 0.00 N ATOM 0 H LYS A 26 3.897 -1.516 1.541 1.00 0.00 H new ATOM 0 HA LYS A 26 5.008 -2.507 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.941 -3.309 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.899 -3.017 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.278 -0.900 1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.559 -0.567 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.176 -1.843 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.675 -0.165 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.335 -0.769 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.693 -2.465 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.300 -2.150 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.972 -2.399 5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.369 -0.833 5.556 1.00 0.00 H new ATOM 383 N MET A 27 4.995 -5.068 -0.643 1.00 0.00 N ATOM 384 CA MET A 27 4.663 -6.487 -0.722 1.00 0.00 C ATOM 385 C MET A 27 5.729 -7.331 -0.029 1.00 0.00 C ATOM 386 O MET A 27 6.914 -7.008 -0.075 1.00 0.00 O ATOM 387 CB MET A 27 4.529 -6.922 -2.181 1.00 0.00 C ATOM 388 CG MET A 27 3.163 -6.634 -2.776 1.00 0.00 C ATOM 389 SD MET A 27 3.244 -6.187 -4.521 1.00 0.00 S ATOM 390 CE MET A 27 3.773 -7.737 -5.242 1.00 0.00 C ATOM 0 H MET A 27 5.783 -4.787 -1.227 1.00 0.00 H new ATOM 0 HA MET A 27 3.710 -6.640 -0.215 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.289 -6.414 -2.774 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.730 -7.991 -2.253 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.528 -7.512 -2.659 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.692 -5.824 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.869 -7.622 -6.322 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.736 -8.024 -4.820 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.036 -8.510 -5.024 1.00 0.00 H new ATOM 400 N TRP A 28 5.301 -8.412 0.613 1.00 0.00 N ATOM 401 CA TRP A 28 6.224 -9.299 1.316 1.00 0.00 C ATOM 402 C TRP A 28 6.951 -8.554 2.432 1.00 0.00 C ATOM 403 O TRP A 28 7.176 -7.347 2.342 1.00 0.00 O ATOM 404 CB TRP A 28 7.241 -9.892 0.338 1.00 0.00 C ATOM 405 CG TRP A 28 6.694 -11.018 -0.483 1.00 0.00 C ATOM 406 CD1 TRP A 28 6.111 -10.928 -1.714 1.00 0.00 C ATOM 407 CD2 TRP A 28 6.676 -12.407 -0.131 1.00 0.00 C ATOM 408 NE1 TRP A 28 5.732 -12.174 -2.150 1.00 0.00 N ATOM 409 CE2 TRP A 28 6.068 -13.098 -1.196 1.00 0.00 C ATOM 410 CE3 TRP A 28 7.116 -13.131 0.980 1.00 0.00 C ATOM 411 CZ2 TRP A 28 5.890 -14.480 -1.181 1.00 0.00 C ATOM 412 CZ3 TRP A 28 6.938 -14.501 0.994 1.00 0.00 C ATOM 413 CH2 TRP A 28 6.330 -15.164 -0.080 1.00 0.00 C ATOM 0 H TRP A 28 4.323 -8.696 0.662 1.00 0.00 H new ATOM 0 HA TRP A 28 5.643 -10.107 1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.594 -9.105 -0.328 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.106 -10.248 0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.968 -10.010 -2.265 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.275 -12.378 -3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.587 -12.629 1.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.422 -14.993 -2.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.273 -15.071 1.848 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.206 -16.236 -0.038 1.00 0.00 H new ATOM 424 N CYS A 29 7.315 -9.279 3.484 1.00 0.00 N ATOM 425 CA CYS A 29 8.015 -8.679 4.618 1.00 0.00 C ATOM 426 C CYS A 29 9.500 -9.032 4.589 1.00 0.00 C ATOM 427 O CYS A 29 10.109 -9.274 5.631 1.00 0.00 O ATOM 428 CB CYS A 29 7.399 -9.142 5.944 1.00 0.00 C ATOM 429 SG CYS A 29 5.639 -9.612 5.843 1.00 0.00 S ATOM 0 H CYS A 29 7.139 -10.279 3.577 1.00 0.00 H new ATOM 0 HA CYS A 29 7.909 -7.597 4.538 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.968 -9.994 6.315 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.506 -8.343 6.678 1.00 0.00 H new ATOM 434 N ASP A 30 10.075 -9.058 3.390 1.00 0.00 N ATOM 435 CA ASP A 30 11.490 -9.380 3.221 1.00 0.00 C ATOM 436 C ASP A 30 11.769 -10.833 3.593 1.00 0.00 C ATOM 437 O ASP A 30 12.038 -11.664 2.726 1.00 0.00 O ATOM 438 CB ASP A 30 12.360 -8.446 4.067 1.00 0.00 C ATOM 439 CG ASP A 30 13.841 -8.679 3.845 1.00 0.00 C ATOM 440 OD1 ASP A 30 14.342 -9.749 4.252 1.00 0.00 O ATOM 441 OD2 ASP A 30 14.501 -7.791 3.264 1.00 0.00 O ATOM 0 H ASP A 30 9.582 -8.860 2.519 1.00 0.00 H new ATOM 0 HA ASP A 30 11.741 -9.239 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.118 -7.411 3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.126 -8.592 5.122 1.00 0.00 H new ATOM 446 N ALA A 31 11.703 -11.133 4.887 1.00 0.00 N ATOM 447 CA ALA A 31 11.947 -12.487 5.372 1.00 0.00 C ATOM 448 C ALA A 31 11.012 -13.488 4.701 1.00 0.00 C ATOM 449 O ALA A 31 11.410 -14.204 3.783 1.00 0.00 O ATOM 450 CB ALA A 31 11.787 -12.542 6.883 1.00 0.00 C ATOM 0 H ALA A 31 11.483 -10.457 5.618 1.00 0.00 H new ATOM 0 HA ALA A 31 12.971 -12.760 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.972 -13.558 7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.501 -11.863 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.774 -12.245 7.153 1.00 0.00 H new ATOM 456 N PHE A 32 9.766 -13.531 5.164 1.00 0.00 N ATOM 457 CA PHE A 32 8.775 -14.443 4.604 1.00 0.00 C ATOM 458 C PHE A 32 7.408 -14.228 5.248 1.00 0.00 C ATOM 459 O PHE A 32 7.286 -14.187 6.473 1.00 0.00 O ATOM 460 CB PHE A 32 9.222 -15.895 4.792 1.00 0.00 C ATOM 461 CG PHE A 32 9.217 -16.347 6.226 1.00 0.00 C ATOM 462 CD1 PHE A 32 10.260 -16.015 7.075 1.00 0.00 C ATOM 463 CD2 PHE A 32 8.168 -17.104 6.721 1.00 0.00 C ATOM 464 CE1 PHE A 32 10.256 -16.429 8.393 1.00 0.00 C ATOM 465 CE2 PHE A 32 8.159 -17.521 8.039 1.00 0.00 C ATOM 466 CZ PHE A 32 9.205 -17.184 8.876 1.00 0.00 C ATOM 0 H PHE A 32 9.419 -12.946 5.924 1.00 0.00 H new ATOM 0 HA PHE A 32 8.688 -14.234 3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.567 -16.546 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.227 -16.012 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.085 -15.426 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.348 -17.371 6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.074 -16.162 9.045 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.335 -18.110 8.414 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.201 -17.510 9.906 1.00 0.00 H new ATOM 476 N CYS A 33 6.383 -14.093 4.415 1.00 0.00 N ATOM 477 CA CYS A 33 5.024 -13.886 4.900 1.00 0.00 C ATOM 478 C CYS A 33 4.010 -14.538 3.970 1.00 0.00 C ATOM 479 O CYS A 33 3.180 -13.860 3.362 1.00 0.00 O ATOM 480 CB CYS A 33 4.723 -12.392 5.036 1.00 0.00 C ATOM 481 SG CYS A 33 5.636 -11.570 6.383 1.00 0.00 S ATOM 0 H CYS A 33 6.467 -14.123 3.399 1.00 0.00 H new ATOM 0 HA CYS A 33 4.944 -14.353 5.882 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.961 -11.897 4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.654 -12.261 5.203 1.00 0.00 H new ATOM 486 N SER A 34 4.067 -15.862 3.880 1.00 0.00 N ATOM 487 CA SER A 34 3.136 -16.609 3.042 1.00 0.00 C ATOM 488 C SER A 34 1.801 -16.799 3.763 1.00 0.00 C ATOM 489 O SER A 34 0.951 -17.573 3.324 1.00 0.00 O ATOM 490 CB SER A 34 3.730 -17.970 2.672 1.00 0.00 C ATOM 491 OG SER A 34 2.980 -18.590 1.641 1.00 0.00 O ATOM 0 H SER A 34 4.746 -16.439 4.376 1.00 0.00 H new ATOM 0 HA SER A 34 2.962 -16.040 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.763 -17.844 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.747 -18.614 3.551 1.00 0.00 H new ATOM 0 HG SER A 34 2.023 -18.468 1.814 1.00 0.00 H new ATOM 497 N SER A 35 1.632 -16.085 4.876 1.00 0.00 N ATOM 498 CA SER A 35 0.418 -16.160 5.673 1.00 0.00 C ATOM 499 C SER A 35 -0.769 -15.552 4.930 1.00 0.00 C ATOM 500 O SER A 35 -1.338 -14.549 5.365 1.00 0.00 O ATOM 501 CB SER A 35 0.639 -15.430 6.999 1.00 0.00 C ATOM 502 OG SER A 35 -0.428 -15.669 7.900 1.00 0.00 O ATOM 0 H SER A 35 2.333 -15.442 5.245 1.00 0.00 H new ATOM 0 HA SER A 35 0.190 -17.209 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.577 -15.759 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.731 -14.359 6.817 1.00 0.00 H new ATOM 0 HG SER A 35 -0.260 -15.192 8.740 1.00 0.00 H new ATOM 508 N ARG A 36 -1.143 -16.169 3.810 1.00 0.00 N ATOM 509 CA ARG A 36 -2.266 -15.703 2.999 1.00 0.00 C ATOM 510 C ARG A 36 -2.284 -14.179 2.882 1.00 0.00 C ATOM 511 O ARG A 36 -2.863 -13.490 3.723 1.00 0.00 O ATOM 512 CB ARG A 36 -3.578 -16.198 3.602 1.00 0.00 C ATOM 513 CG ARG A 36 -4.796 -15.907 2.739 1.00 0.00 C ATOM 514 CD ARG A 36 -6.019 -15.597 3.586 1.00 0.00 C ATOM 515 NE ARG A 36 -6.230 -16.593 4.634 1.00 0.00 N ATOM 516 CZ ARG A 36 -7.382 -16.759 5.279 1.00 0.00 C ATOM 517 NH1 ARG A 36 -8.432 -16.004 4.981 1.00 0.00 N ATOM 518 NH2 ARG A 36 -7.487 -17.687 6.221 1.00 0.00 N ATOM 0 H ARG A 36 -0.680 -17.000 3.442 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.148 -16.110 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.509 -17.273 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.717 -15.734 4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.584 -15.064 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.003 -16.765 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.905 -14.613 4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.900 -15.553 2.946 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.448 -17.197 4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.358 -15.292 4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.313 -16.136 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.685 -18.273 6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.370 -17.814 6.715 1.00 0.00 H new ATOM 532 N GLY A 37 -1.650 -13.660 1.836 1.00 0.00 N ATOM 533 CA GLY A 37 -1.609 -12.225 1.633 1.00 0.00 C ATOM 534 C GLY A 37 -0.712 -11.827 0.478 1.00 0.00 C ATOM 535 O GLY A 37 0.419 -12.299 0.371 1.00 0.00 O ATOM 0 H GLY A 37 -1.164 -14.208 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.619 -11.859 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.257 -11.742 2.545 1.00 0.00 H new ATOM 539 N LYS A 38 -1.218 -10.956 -0.388 1.00 0.00 N ATOM 540 CA LYS A 38 -0.455 -10.496 -1.542 1.00 0.00 C ATOM 541 C LYS A 38 0.091 -9.084 -1.322 1.00 0.00 C ATOM 542 O LYS A 38 0.573 -8.448 -2.258 1.00 0.00 O ATOM 543 CB LYS A 38 -1.324 -10.527 -2.801 1.00 0.00 C ATOM 544 CG LYS A 38 -2.579 -9.675 -2.698 1.00 0.00 C ATOM 545 CD LYS A 38 -3.431 -9.785 -3.951 1.00 0.00 C ATOM 546 CE LYS A 38 -4.310 -11.025 -3.920 1.00 0.00 C ATOM 547 NZ LYS A 38 -5.027 -11.233 -5.208 1.00 0.00 N ATOM 0 H LYS A 38 -2.153 -10.555 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 38 0.390 -11.172 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.731 -10.184 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.611 -11.558 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.162 -9.987 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.301 -8.634 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.056 -8.897 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.786 -9.817 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.696 -11.899 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.036 -10.935 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.615 -12.089 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.633 -10.411 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.335 -11.345 -5.976 1.00 0.00 H new ATOM 627 N GLY A 43 2.650 1.440 7.078 1.00 0.00 N ATOM 628 CA GLY A 43 3.701 2.030 7.887 1.00 0.00 C ATOM 629 C GLY A 43 3.820 3.524 7.653 1.00 0.00 C ATOM 630 O GLY A 43 2.907 4.282 7.982 1.00 0.00 O ATOM 0 HA2 GLY A 43 3.497 1.842 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.651 1.549 7.656 1.00 0.00 H new ATOM 634 N CYS A 44 4.939 3.946 7.068 1.00 0.00 N ATOM 635 CA CYS A 44 5.170 5.359 6.771 1.00 0.00 C ATOM 636 C CYS A 44 6.560 5.565 6.187 1.00 0.00 C ATOM 637 O CYS A 44 7.565 5.479 6.890 1.00 0.00 O ATOM 638 CB CYS A 44 5.011 6.218 8.021 1.00 0.00 C ATOM 639 SG CYS A 44 4.551 7.954 7.690 1.00 0.00 S ATOM 0 H CYS A 44 5.702 3.329 6.790 1.00 0.00 H new ATOM 0 HA CYS A 44 4.423 5.666 6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.251 5.769 8.661 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.947 6.203 8.579 1.00 0.00 H new ATOM 0 HG CYS A 44 4.439 8.595 8.815 1.00 0.00 H new ATOM 644 N ALA A 45 6.597 5.836 4.896 1.00 0.00 N ATOM 645 CA ALA A 45 7.855 6.058 4.191 1.00 0.00 C ATOM 646 C ALA A 45 7.911 7.444 3.563 1.00 0.00 C ATOM 647 O ALA A 45 8.894 8.167 3.724 1.00 0.00 O ATOM 648 CB ALA A 45 8.055 5.000 3.121 1.00 0.00 C ATOM 0 H ALA A 45 5.767 5.909 4.307 1.00 0.00 H new ATOM 0 HA ALA A 45 8.658 5.987 4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.998 5.179 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.077 4.014 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.234 5.047 2.405 1.00 0.00 H new ATOM 654 N ALA A 46 6.860 7.801 2.830 1.00 0.00 N ATOM 655 CA ALA A 46 6.799 9.096 2.157 1.00 0.00 C ATOM 656 C ALA A 46 7.645 9.098 0.907 1.00 0.00 C ATOM 657 O ALA A 46 7.826 10.142 0.278 1.00 0.00 O ATOM 658 CB ALA A 46 7.231 10.216 3.095 1.00 0.00 C ATOM 0 H ALA A 46 6.039 7.213 2.687 1.00 0.00 H new ATOM 0 HA ALA A 46 5.763 9.271 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.177 11.170 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.570 10.240 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.255 10.040 3.424 1.00 0.00 H new ATOM 664 N THR A 47 8.164 7.932 0.540 1.00 0.00 N ATOM 665 CA THR A 47 8.998 7.828 -0.641 1.00 0.00 C ATOM 666 C THR A 47 9.510 6.402 -0.827 1.00 0.00 C ATOM 667 O THR A 47 8.927 5.453 -0.302 1.00 0.00 O ATOM 668 CB THR A 47 10.143 8.831 -0.510 1.00 0.00 C ATOM 669 OG1 THR A 47 10.603 9.248 -1.783 1.00 0.00 O ATOM 670 CG2 THR A 47 11.336 8.311 0.269 1.00 0.00 C ATOM 0 H THR A 47 8.021 7.055 1.041 1.00 0.00 H new ATOM 0 HA THR A 47 8.415 8.064 -1.532 1.00 0.00 H new ATOM 0 HB THR A 47 9.715 9.665 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.334 9.891 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.104 9.083 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.024 8.047 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.739 7.428 -0.228 1.00 0.00 H new ATOM 678 N CYS A 48 10.594 6.249 -1.580 1.00 0.00 N ATOM 679 CA CYS A 48 11.164 4.929 -1.829 1.00 0.00 C ATOM 680 C CYS A 48 12.541 4.790 -1.176 1.00 0.00 C ATOM 681 O CYS A 48 13.561 4.719 -1.863 1.00 0.00 O ATOM 682 CB CYS A 48 11.262 4.654 -3.339 1.00 0.00 C ATOM 683 SG CYS A 48 10.421 5.882 -4.396 1.00 0.00 S ATOM 0 H CYS A 48 11.094 7.018 -2.027 1.00 0.00 H new ATOM 0 HA CYS A 48 10.498 4.191 -1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 48 12.315 4.614 -3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.840 3.670 -3.543 1.00 0.00 H new ATOM 688 N PRO A 49 12.591 4.741 0.169 1.00 0.00 N ATOM 689 CA PRO A 49 13.846 4.601 0.907 1.00 0.00 C ATOM 690 C PRO A 49 14.321 3.154 0.946 1.00 0.00 C ATOM 691 O PRO A 49 15.509 2.871 0.791 1.00 0.00 O ATOM 692 CB PRO A 49 13.469 5.079 2.306 1.00 0.00 C ATOM 693 CG PRO A 49 12.037 4.696 2.452 1.00 0.00 C ATOM 694 CD PRO A 49 11.427 4.811 1.076 1.00 0.00 C ATOM 0 HA PRO A 49 14.665 5.160 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.087 4.605 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.605 6.156 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.943 3.680 2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.529 5.352 3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.720 4.004 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.882 5.748 0.957 1.00 0.00 H new ATOM 702 N SER A 50 13.377 2.242 1.152 1.00 0.00 N ATOM 703 CA SER A 50 13.679 0.818 1.208 1.00 0.00 C ATOM 704 C SER A 50 12.625 0.021 0.449 1.00 0.00 C ATOM 705 O SER A 50 11.728 0.596 -0.168 1.00 0.00 O ATOM 706 CB SER A 50 13.745 0.346 2.663 1.00 0.00 C ATOM 707 OG SER A 50 13.962 1.433 3.544 1.00 0.00 O ATOM 0 H SER A 50 12.391 2.467 1.284 1.00 0.00 H new ATOM 0 HA SER A 50 14.649 0.652 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.816 -0.160 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.548 -0.383 2.776 1.00 0.00 H new ATOM 0 HG SER A 50 13.998 1.104 4.466 1.00 0.00 H new ATOM 713 N LYS A 51 12.733 -1.301 0.495 1.00 0.00 N ATOM 714 CA LYS A 51 11.781 -2.165 -0.192 1.00 0.00 C ATOM 715 C LYS A 51 11.792 -1.898 -1.695 1.00 0.00 C ATOM 716 O LYS A 51 11.336 -0.850 -2.152 1.00 0.00 O ATOM 717 CB LYS A 51 10.374 -1.946 0.368 1.00 0.00 C ATOM 718 CG LYS A 51 10.095 -2.729 1.641 1.00 0.00 C ATOM 719 CD LYS A 51 10.263 -1.864 2.878 1.00 0.00 C ATOM 720 CE LYS A 51 10.351 -2.708 4.139 1.00 0.00 C ATOM 721 NZ LYS A 51 9.308 -3.771 4.171 1.00 0.00 N ATOM 0 H LYS A 51 13.468 -1.797 0.999 1.00 0.00 H new ATOM 0 HA LYS A 51 12.076 -3.201 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.233 -0.884 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.643 -2.228 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.081 -3.126 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.770 -3.583 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.164 -1.258 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.423 -1.174 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.338 -3.166 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.242 -2.066 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.026 -3.951 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.479 -3.461 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.689 -4.644 3.755 1.00 0.00 H new ATOM 735 N LYS A 52 12.319 -2.850 -2.459 1.00 0.00 N ATOM 736 CA LYS A 52 12.393 -2.712 -3.910 1.00 0.00 C ATOM 737 C LYS A 52 11.177 -3.343 -4.588 1.00 0.00 C ATOM 738 O LYS A 52 10.436 -4.106 -3.969 1.00 0.00 O ATOM 739 CB LYS A 52 13.680 -3.351 -4.436 1.00 0.00 C ATOM 740 CG LYS A 52 14.932 -2.552 -4.112 1.00 0.00 C ATOM 741 CD LYS A 52 15.559 -1.951 -5.362 1.00 0.00 C ATOM 742 CE LYS A 52 15.323 -0.452 -5.444 1.00 0.00 C ATOM 743 NZ LYS A 52 15.910 0.136 -6.680 1.00 0.00 N ATOM 0 H LYS A 52 12.701 -3.724 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 52 12.399 -1.648 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.778 -4.351 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.603 -3.467 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.683 -1.755 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.657 -3.198 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.630 -2.151 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.143 -2.434 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.252 -0.251 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.758 0.032 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.727 1.160 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.936 -0.033 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.477 -0.308 -7.515 1.00 0.00 H new ATOM 757 N PRO A 53 10.954 -3.023 -5.876 1.00 0.00 N ATOM 758 CA PRO A 53 9.818 -3.551 -6.645 1.00 0.00 C ATOM 759 C PRO A 53 9.813 -5.074 -6.729 1.00 0.00 C ATOM 760 O PRO A 53 8.849 -5.723 -6.324 1.00 0.00 O ATOM 761 CB PRO A 53 10.015 -2.946 -8.041 1.00 0.00 C ATOM 762 CG PRO A 53 10.884 -1.755 -7.825 1.00 0.00 C ATOM 763 CD PRO A 53 11.787 -2.114 -6.682 1.00 0.00 C ATOM 0 HA PRO A 53 8.868 -3.292 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.484 -3.660 -8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.061 -2.663 -8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.460 -1.523 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.288 -0.873 -7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.700 -2.601 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.090 -1.234 -6.115 1.00 0.00 H new ATOM 771 N TYR A 54 10.888 -5.639 -7.271 1.00 0.00 N ATOM 772 CA TYR A 54 10.999 -7.088 -7.421 1.00 0.00 C ATOM 773 C TYR A 54 10.710 -7.820 -6.111 1.00 0.00 C ATOM 774 O TYR A 54 10.330 -8.991 -6.121 1.00 0.00 O ATOM 775 CB TYR A 54 12.385 -7.478 -7.949 1.00 0.00 C ATOM 776 CG TYR A 54 13.521 -6.643 -7.399 1.00 0.00 C ATOM 777 CD1 TYR A 54 14.168 -7.003 -6.224 1.00 0.00 C ATOM 778 CD2 TYR A 54 13.955 -5.500 -8.062 1.00 0.00 C ATOM 779 CE1 TYR A 54 15.211 -6.248 -5.722 1.00 0.00 C ATOM 780 CE2 TYR A 54 14.999 -4.740 -7.567 1.00 0.00 C ATOM 781 CZ TYR A 54 15.622 -5.119 -6.397 1.00 0.00 C ATOM 782 OH TYR A 54 16.663 -4.367 -5.901 1.00 0.00 O ATOM 0 H TYR A 54 11.694 -5.117 -7.614 1.00 0.00 H new ATOM 0 HA TYR A 54 10.246 -7.393 -8.147 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.570 -8.525 -7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.383 -7.396 -9.036 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.850 -7.888 -5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.469 -5.201 -8.979 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.701 -6.541 -4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 54 15.324 -3.855 -8.094 1.00 0.00 H new ATOM 0 HH TYR A 54 17.139 -3.938 -6.643 1.00 0.00 H new ATOM 838 N THR A 58 7.512 -0.457 -3.371 1.00 0.00 N ATOM 839 CA THR A 58 8.518 0.609 -3.381 1.00 0.00 C ATOM 840 C THR A 58 7.889 1.949 -3.002 1.00 0.00 C ATOM 841 O THR A 58 8.023 2.409 -1.866 1.00 0.00 O ATOM 842 CB THR A 58 9.204 0.721 -4.754 1.00 0.00 C ATOM 843 OG1 THR A 58 9.745 2.017 -4.943 1.00 0.00 O ATOM 844 CG2 THR A 58 8.286 0.436 -5.926 1.00 0.00 C ATOM 0 HA THR A 58 9.275 0.351 -2.641 1.00 0.00 H new ATOM 0 HB THR A 58 9.984 -0.040 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.051 2.613 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.843 0.535 -6.857 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.895 -0.578 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.459 1.146 -5.921 1.00 0.00 H new ATOM 852 N CYS A 59 7.207 2.573 -3.957 1.00 0.00 N ATOM 853 CA CYS A 59 6.561 3.859 -3.727 1.00 0.00 C ATOM 854 C CYS A 59 5.512 4.133 -4.801 1.00 0.00 C ATOM 855 O CYS A 59 5.737 3.867 -5.981 1.00 0.00 O ATOM 856 CB CYS A 59 7.603 4.979 -3.716 1.00 0.00 C ATOM 857 SG CYS A 59 8.792 4.894 -5.094 1.00 0.00 S ATOM 0 H CYS A 59 7.088 2.206 -4.901 1.00 0.00 H new ATOM 0 HA CYS A 59 6.065 3.826 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.090 5.940 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.150 4.944 -2.774 1.00 0.00 H new ATOM 862 N CYS A 60 4.367 4.661 -4.384 1.00 0.00 N ATOM 863 CA CYS A 60 3.286 4.965 -5.314 1.00 0.00 C ATOM 864 C CYS A 60 3.386 6.397 -5.826 1.00 0.00 C ATOM 865 O CYS A 60 2.944 6.703 -6.933 1.00 0.00 O ATOM 866 CB CYS A 60 1.927 4.733 -4.644 1.00 0.00 C ATOM 867 SG CYS A 60 1.138 3.157 -5.127 1.00 0.00 S ATOM 0 H CYS A 60 4.163 4.887 -3.410 1.00 0.00 H new ATOM 0 HA CYS A 60 3.378 4.295 -6.169 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.057 4.749 -3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.260 5.557 -4.897 1.00 0.00 H new ATOM 872 N SER A 61 3.964 7.275 -5.012 1.00 0.00 N ATOM 873 CA SER A 61 4.114 8.676 -5.386 1.00 0.00 C ATOM 874 C SER A 61 2.754 9.316 -5.657 1.00 0.00 C ATOM 875 O SER A 61 2.672 10.399 -6.236 1.00 0.00 O ATOM 876 CB SER A 61 5.006 8.803 -6.623 1.00 0.00 C ATOM 877 OG SER A 61 5.009 10.132 -7.115 1.00 0.00 O ATOM 0 H SER A 61 4.335 7.041 -4.091 1.00 0.00 H new ATOM 0 HA SER A 61 4.583 9.200 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.024 8.502 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.654 8.125 -7.400 1.00 0.00 H new ATOM 0 HG SER A 61 4.089 10.465 -7.164 1.00 0.00 H new ATOM 883 N THR A 62 1.688 8.638 -5.235 1.00 0.00 N ATOM 884 CA THR A 62 0.336 9.140 -5.429 1.00 0.00 C ATOM 885 C THR A 62 -0.482 8.965 -4.151 1.00 0.00 C ATOM 886 O THR A 62 0.077 8.816 -3.064 1.00 0.00 O ATOM 887 CB THR A 62 -0.335 8.412 -6.599 1.00 0.00 C ATOM 888 OG1 THR A 62 -0.620 7.067 -6.256 1.00 0.00 O ATOM 889 CG2 THR A 62 0.505 8.398 -7.857 1.00 0.00 C ATOM 0 H THR A 62 1.738 7.739 -4.756 1.00 0.00 H new ATOM 0 HA THR A 62 0.386 10.203 -5.664 1.00 0.00 H new ATOM 0 HB THR A 62 -1.249 8.970 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.049 6.620 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.029 7.867 -8.645 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.699 9.422 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.451 7.895 -7.657 1.00 0.00 H new ATOM 897 N ASP A 63 -1.805 8.989 -4.281 1.00 0.00 N ATOM 898 CA ASP A 63 -2.687 8.835 -3.131 1.00 0.00 C ATOM 899 C ASP A 63 -2.393 7.539 -2.376 1.00 0.00 C ATOM 900 O ASP A 63 -1.411 6.854 -2.662 1.00 0.00 O ATOM 901 CB ASP A 63 -4.149 8.860 -3.583 1.00 0.00 C ATOM 902 CG ASP A 63 -4.472 7.742 -4.555 1.00 0.00 C ATOM 903 OD1 ASP A 63 -4.624 6.587 -4.103 1.00 0.00 O ATOM 904 OD2 ASP A 63 -4.572 8.022 -5.768 1.00 0.00 O ATOM 0 H ASP A 63 -2.289 9.114 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.506 9.669 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.798 8.778 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.365 9.820 -4.052 1.00 0.00 H new ATOM 909 N LYS A 64 -3.259 7.206 -1.417 1.00 0.00 N ATOM 910 CA LYS A 64 -3.120 5.990 -0.617 1.00 0.00 C ATOM 911 C LYS A 64 -2.696 4.820 -1.487 1.00 0.00 C ATOM 912 O LYS A 64 -1.745 4.111 -1.155 1.00 0.00 O ATOM 913 CB LYS A 64 -4.436 5.688 0.070 1.00 0.00 C ATOM 914 CG LYS A 64 -5.092 6.890 0.736 1.00 0.00 C ATOM 915 CD LYS A 64 -5.386 6.630 2.206 1.00 0.00 C ATOM 916 CE LYS A 64 -6.846 6.267 2.428 1.00 0.00 C ATOM 917 NZ LYS A 64 -7.024 5.362 3.597 1.00 0.00 N ATOM 0 H LYS A 64 -4.073 7.770 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.347 6.146 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.127 5.273 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.270 4.917 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.439 7.758 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.019 7.132 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.750 5.822 2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.138 7.516 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.426 7.177 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.240 5.785 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.941 5.554 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.995 4.373 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.260 5.527 4.283 1.00 0.00 H new ATOM 931 N CYS A 65 -3.368 4.657 -2.627 1.00 0.00 N ATOM 932 CA CYS A 65 -3.010 3.610 -3.585 1.00 0.00 C ATOM 933 C CYS A 65 -3.543 2.215 -3.237 1.00 0.00 C ATOM 934 O CYS A 65 -3.895 1.454 -4.138 1.00 0.00 O ATOM 935 CB CYS A 65 -1.491 3.551 -3.692 1.00 0.00 C ATOM 936 SG CYS A 65 -0.824 3.617 -5.384 1.00 0.00 S ATOM 0 H CYS A 65 -4.160 5.234 -2.909 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.481 3.881 -4.530 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.071 4.380 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.146 2.631 -3.219 1.00 0.00 H new ATOM 941 N ASN A 66 -3.561 1.848 -1.953 1.00 0.00 N ATOM 942 CA ASN A 66 -4.008 0.511 -1.566 1.00 0.00 C ATOM 943 C ASN A 66 -2.981 -0.524 -2.003 1.00 0.00 C ATOM 944 O ASN A 66 -2.126 -0.243 -2.843 1.00 0.00 O ATOM 945 CB ASN A 66 -5.365 0.155 -2.190 1.00 0.00 C ATOM 946 CG ASN A 66 -6.481 0.101 -1.166 1.00 0.00 C ATOM 947 OD1 ASN A 66 -6.693 1.049 -0.412 1.00 0.00 O ATOM 948 ND2 ASN A 66 -7.200 -1.014 -1.134 1.00 0.00 N ATOM 0 H ASN A 66 -3.277 2.447 -1.178 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.117 0.508 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.614 0.891 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.289 -0.810 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.964 -1.109 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.989 -1.776 -1.779 1.00 0.00 H new ATOM 955 N PRO A 67 -3.062 -1.745 -1.459 1.00 0.00 N ATOM 956 CA PRO A 67 -2.144 -2.821 -1.823 1.00 0.00 C ATOM 957 C PRO A 67 -2.179 -3.076 -3.327 1.00 0.00 C ATOM 958 O PRO A 67 -1.243 -2.736 -4.049 1.00 0.00 O ATOM 959 CB PRO A 67 -2.678 -4.036 -1.050 1.00 0.00 C ATOM 960 CG PRO A 67 -4.057 -3.669 -0.621 1.00 0.00 C ATOM 961 CD PRO A 67 -4.062 -2.179 -0.471 1.00 0.00 C ATOM 0 HA PRO A 67 -1.106 -2.591 -1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.688 -4.926 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.047 -4.260 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.793 -3.989 -1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.315 -4.156 0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.045 -1.756 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.790 -1.874 0.540 1.00 0.00 H new ATOM 969 N HIS A 68 -3.293 -3.648 -3.777 1.00 0.00 N ATOM 970 CA HIS A 68 -3.533 -3.945 -5.197 1.00 0.00 C ATOM 971 C HIS A 68 -4.565 -5.062 -5.348 1.00 0.00 C ATOM 972 O HIS A 68 -4.214 -6.220 -5.568 1.00 0.00 O ATOM 973 CB HIS A 68 -2.246 -4.321 -5.946 1.00 0.00 C ATOM 974 CG HIS A 68 -1.495 -5.474 -5.357 1.00 0.00 C ATOM 975 ND1 HIS A 68 -0.460 -5.320 -4.460 1.00 0.00 N ATOM 976 CD2 HIS A 68 -1.615 -6.808 -5.562 1.00 0.00 C ATOM 977 CE1 HIS A 68 0.024 -6.506 -4.142 1.00 0.00 C ATOM 978 NE2 HIS A 68 -0.658 -7.426 -4.797 1.00 0.00 N ATOM 0 H HIS A 68 -4.063 -3.922 -3.167 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.919 -3.030 -5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.499 -4.559 -6.979 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.589 -3.452 -5.971 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.121 -4.429 -4.098 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.331 -7.295 -6.208 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.841 -6.692 -3.460 1.00 0.00 H new ATOM 987 N PRO A 69 -5.860 -4.726 -5.232 1.00 0.00 N ATOM 988 CA PRO A 69 -6.944 -5.705 -5.356 1.00 0.00 C ATOM 989 C PRO A 69 -7.189 -6.122 -6.803 1.00 0.00 C ATOM 990 O PRO A 69 -7.670 -7.225 -7.068 1.00 0.00 O ATOM 991 CB PRO A 69 -8.155 -4.954 -4.804 1.00 0.00 C ATOM 992 CG PRO A 69 -7.865 -3.520 -5.081 1.00 0.00 C ATOM 993 CD PRO A 69 -6.371 -3.366 -4.970 1.00 0.00 C ATOM 0 HA PRO A 69 -6.720 -6.633 -4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.076 -5.274 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.280 -5.134 -3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -8.213 -3.237 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.377 -2.874 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.987 -2.647 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.077 -3.011 -3.982 1.00 0.00 H new ATOM 1001 N LYS A 70 -6.860 -5.235 -7.736 1.00 0.00 N ATOM 1002 CA LYS A 70 -7.047 -5.515 -9.156 1.00 0.00 C ATOM 1003 C LYS A 70 -8.520 -5.765 -9.465 1.00 0.00 C ATOM 1004 O LYS A 70 -9.380 -5.618 -8.595 1.00 0.00 O ATOM 1005 CB LYS A 70 -6.208 -6.725 -9.575 1.00 0.00 C ATOM 1006 CG LYS A 70 -4.876 -6.352 -10.204 1.00 0.00 C ATOM 1007 CD LYS A 70 -4.405 -7.416 -11.185 1.00 0.00 C ATOM 1008 CE LYS A 70 -3.280 -8.259 -10.602 1.00 0.00 C ATOM 1009 NZ LYS A 70 -2.021 -8.123 -11.384 1.00 0.00 N ATOM 0 H LYS A 70 -6.463 -4.317 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.717 -4.645 -9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.025 -7.350 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.779 -7.325 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.971 -5.396 -10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.128 -6.219 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.242 -8.061 -11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.064 -6.939 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.100 -7.960 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.584 -9.306 -10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.280 -8.713 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.185 -8.433 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.717 -7.129 -11.382 1.00 0.00 H new ATOM 1023 N GLN A 71 -8.808 -6.142 -10.706 1.00 0.00 N ATOM 1024 CA GLN A 71 -10.180 -6.409 -11.122 1.00 0.00 C ATOM 1025 C GLN A 71 -10.227 -6.936 -12.554 1.00 0.00 C ATOM 1026 O GLN A 71 -10.868 -6.346 -13.424 1.00 0.00 O ATOM 1027 CB GLN A 71 -11.026 -5.140 -11.002 1.00 0.00 C ATOM 1028 CG GLN A 71 -12.494 -5.348 -11.340 1.00 0.00 C ATOM 1029 CD GLN A 71 -13.109 -4.145 -12.027 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -14.152 -3.641 -11.607 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -12.467 -3.677 -13.092 1.00 0.00 N ATOM 0 H GLN A 71 -8.111 -6.269 -11.440 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.590 -7.175 -10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.948 -4.757 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.615 -4.377 -11.663 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.595 -6.221 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.047 -5.562 -10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.606 -4.125 -13.406 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.835 -2.870 -13.596 1.00 0.00 H new