USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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 12 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 23 LYS NZ :NH3+ -126:sc= -1.3 (180deg=-4.11!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= -0.684 (180deg=-2.65!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.93 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.2!) USER MOD Single : A 39 SER OG : rot -34:sc= 0.101 USER MOD Single : A 41 THR OG1 : rot -128:sc= -3.85! USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc=-0.00025 F(o=-0.71,f=-0.00025) USER MOD Single : A 52 SER OG : rot 170:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.22! C(o=-1.2!,f=-2.7!) USER MOD Single : A 56 THR OG1 : rot -40:sc= 0.082! USER MOD Single : A 59 GLN : amide:sc= -2.85 K(o=-2.8,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HE2:sc= -0.147 F(o=-0.77,f=-0.15) USER MOD Single : A 70 CYS SG : rot 26:sc= 1.23 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -128:sc= 0.00308 (180deg=-0.000803) USER MOD Single : A 88 THR OG1 : rot -70:sc= 1.08 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.060 -0.279 3.163 1.00 0.00 N ATOM 2 CA GLY A 1 1.455 -1.424 2.508 1.00 0.00 C ATOM 3 C GLY A 1 0.400 -1.022 1.497 1.00 0.00 C ATOM 4 O GLY A 1 0.585 -1.158 0.287 1.00 0.00 O ATOM 0 H1 GLY A 1 3.088 -0.291 3.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.659 0.597 2.771 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.867 -0.321 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.230 -2.005 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.005 -2.073 3.259 1.00 0.00 H new ATOM 8 N PRO A 2 -0.739 -0.516 1.993 1.00 0.00 N ATOM 9 CA PRO A 2 -1.851 -0.084 1.141 1.00 0.00 C ATOM 10 C PRO A 2 -1.520 1.177 0.350 1.00 0.00 C ATOM 11 O PRO A 2 -0.375 1.628 0.334 1.00 0.00 O ATOM 12 CB PRO A 2 -2.977 0.191 2.140 1.00 0.00 C ATOM 13 CG PRO A 2 -2.281 0.506 3.418 1.00 0.00 C ATOM 14 CD PRO A 2 -1.029 -0.326 3.424 1.00 0.00 C ATOM 0 HA PRO A 2 -2.103 -0.832 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.601 1.023 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.630 -0.675 2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.044 1.568 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.912 0.268 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.211 0.182 3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.181 -1.278 3.933 1.00 0.00 H new ATOM 22 N GLY A 3 -2.530 1.743 -0.304 1.00 0.00 N ATOM 23 CA GLY A 3 -2.325 2.947 -1.087 1.00 0.00 C ATOM 24 C GLY A 3 -1.691 4.062 -0.280 1.00 0.00 C ATOM 25 O GLY A 3 -1.828 4.108 0.942 1.00 0.00 O ATOM 0 H GLY A 3 -3.487 1.389 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.691 2.716 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.282 3.287 -1.482 1.00 0.00 H new ATOM 29 N SER A 4 -0.993 4.963 -0.965 1.00 0.00 N ATOM 30 CA SER A 4 -0.331 6.081 -0.303 1.00 0.00 C ATOM 31 C SER A 4 -1.044 7.394 -0.609 1.00 0.00 C ATOM 32 O SER A 4 -0.943 8.360 0.147 1.00 0.00 O ATOM 33 CB SER A 4 1.132 6.167 -0.742 1.00 0.00 C ATOM 34 OG SER A 4 1.831 7.149 0.003 1.00 0.00 O ATOM 0 H SER A 4 -0.872 4.940 -1.977 1.00 0.00 H new ATOM 0 HA SER A 4 -0.371 5.909 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.612 5.197 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.183 6.407 -1.804 1.00 0.00 H new ATOM 0 HG SER A 4 2.764 7.183 -0.295 1.00 0.00 H new ATOM 40 N MET A 5 -1.766 7.422 -1.725 1.00 0.00 N ATOM 41 CA MET A 5 -2.497 8.616 -2.133 1.00 0.00 C ATOM 42 C MET A 5 -3.706 8.248 -2.986 1.00 0.00 C ATOM 43 O MET A 5 -3.732 7.194 -3.622 1.00 0.00 O ATOM 44 CB MET A 5 -1.579 9.562 -2.909 1.00 0.00 C ATOM 45 CG MET A 5 -1.960 11.027 -2.770 1.00 0.00 C ATOM 46 SD MET A 5 -1.441 11.733 -1.194 1.00 0.00 S ATOM 47 CE MET A 5 0.042 12.608 -1.687 1.00 0.00 C ATOM 0 H MET A 5 -1.860 6.631 -2.363 1.00 0.00 H new ATOM 0 HA MET A 5 -2.850 9.121 -1.234 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.555 9.427 -2.562 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.597 9.289 -3.964 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.509 11.595 -3.584 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.041 11.129 -2.871 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.481 13.099 -0.818 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.759 11.902 -2.105 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.210 13.357 -2.438 1.00 0.00 H new ATOM 57 N VAL A 6 -4.707 9.123 -2.996 1.00 0.00 N ATOM 58 CA VAL A 6 -5.919 8.890 -3.773 1.00 0.00 C ATOM 59 C VAL A 6 -6.270 10.106 -4.621 1.00 0.00 C ATOM 60 O VAL A 6 -5.934 11.238 -4.272 1.00 0.00 O ATOM 61 CB VAL A 6 -7.113 8.551 -2.861 1.00 0.00 C ATOM 62 CG1 VAL A 6 -6.981 7.140 -2.308 1.00 0.00 C ATOM 63 CG2 VAL A 6 -7.226 9.566 -1.733 1.00 0.00 C ATOM 0 H VAL A 6 -4.702 10.000 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.718 8.041 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.026 8.598 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.834 6.919 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.953 6.427 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.061 7.061 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.075 9.312 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.312 9.553 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.372 10.561 -2.152 1.00 0.00 H new ATOM 73 N ASP A 7 -6.949 9.866 -5.738 1.00 0.00 N ATOM 74 CA ASP A 7 -7.348 10.942 -6.637 1.00 0.00 C ATOM 75 C ASP A 7 -8.461 11.782 -6.019 1.00 0.00 C ATOM 76 O ASP A 7 -9.515 11.261 -5.651 1.00 0.00 O ATOM 77 CB ASP A 7 -7.808 10.370 -7.979 1.00 0.00 C ATOM 78 CG ASP A 7 -6.671 9.745 -8.763 1.00 0.00 C ATOM 79 OD1 ASP A 7 -6.397 8.545 -8.554 1.00 0.00 O ATOM 80 OD2 ASP A 7 -6.055 10.457 -9.584 1.00 0.00 O ATOM 0 H ASP A 7 -7.234 8.935 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.483 11.584 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.581 9.621 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.261 11.164 -8.573 1.00 0.00 H new ATOM 85 N VAL A 8 -8.220 13.084 -5.906 1.00 0.00 N ATOM 86 CA VAL A 8 -9.202 13.997 -5.332 1.00 0.00 C ATOM 87 C VAL A 8 -9.739 14.959 -6.386 1.00 0.00 C ATOM 88 O VAL A 8 -8.990 15.453 -7.229 1.00 0.00 O ATOM 89 CB VAL A 8 -8.602 14.808 -4.169 1.00 0.00 C ATOM 90 CG1 VAL A 8 -9.652 15.723 -3.558 1.00 0.00 C ATOM 91 CG2 VAL A 8 -8.017 13.878 -3.117 1.00 0.00 C ATOM 0 H VAL A 8 -7.353 13.531 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.020 13.385 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.796 15.429 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.209 16.288 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.019 16.413 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.481 15.124 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.597 14.468 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.802 13.229 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.232 13.269 -3.566 1.00 0.00 H new ATOM 101 N ILE A 9 -11.040 15.223 -6.330 1.00 0.00 N ATOM 102 CA ILE A 9 -11.677 16.128 -7.278 1.00 0.00 C ATOM 103 C ILE A 9 -12.604 17.107 -6.566 1.00 0.00 C ATOM 104 O ILE A 9 -13.248 16.759 -5.576 1.00 0.00 O ATOM 105 CB ILE A 9 -12.482 15.356 -8.340 1.00 0.00 C ATOM 106 CG1 ILE A 9 -11.635 14.229 -8.933 1.00 0.00 C ATOM 107 CG2 ILE A 9 -12.957 16.301 -9.434 1.00 0.00 C ATOM 108 CD1 ILE A 9 -12.383 13.370 -9.929 1.00 0.00 C ATOM 0 H ILE A 9 -11.673 14.823 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.878 16.681 -7.771 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.357 14.915 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.762 14.661 -9.422 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.268 13.597 -8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.524 15.741 -10.177 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.592 17.072 -8.998 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.095 16.768 -9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.721 12.592 -10.308 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.241 12.909 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.727 13.989 -10.758 1.00 0.00 H new ATOM 120 N ILE A 10 -12.669 18.332 -7.077 1.00 0.00 N ATOM 121 CA ILE A 10 -13.520 19.360 -6.492 1.00 0.00 C ATOM 122 C ILE A 10 -14.347 20.064 -7.562 1.00 0.00 C ATOM 123 O ILE A 10 -13.840 20.401 -8.632 1.00 0.00 O ATOM 124 CB ILE A 10 -12.691 20.409 -5.727 1.00 0.00 C ATOM 125 CG1 ILE A 10 -13.609 21.313 -4.902 1.00 0.00 C ATOM 126 CG2 ILE A 10 -11.858 21.234 -6.696 1.00 0.00 C ATOM 127 CD1 ILE A 10 -12.899 22.025 -3.772 1.00 0.00 C ATOM 0 H ILE A 10 -12.142 18.637 -7.895 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.188 18.856 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.015 19.891 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.062 22.054 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.421 20.714 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.278 21.971 -6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.182 20.578 -7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.517 21.745 -7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.611 22.648 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.469 21.290 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.105 22.651 -4.179 1.00 0.00 H new ATOM 139 N TYR A 11 -15.623 20.284 -7.266 1.00 0.00 N ATOM 140 CA TYR A 11 -16.522 20.948 -8.203 1.00 0.00 C ATOM 141 C TYR A 11 -16.975 22.299 -7.658 1.00 0.00 C ATOM 142 O TYR A 11 -17.626 22.376 -6.616 1.00 0.00 O ATOM 143 CB TYR A 11 -17.739 20.066 -8.486 1.00 0.00 C ATOM 144 CG TYR A 11 -17.747 19.474 -9.878 1.00 0.00 C ATOM 145 CD1 TYR A 11 -16.698 18.678 -10.322 1.00 0.00 C ATOM 146 CD2 TYR A 11 -18.803 19.711 -10.749 1.00 0.00 C ATOM 147 CE1 TYR A 11 -16.701 18.136 -11.592 1.00 0.00 C ATOM 148 CE2 TYR A 11 -18.815 19.173 -12.021 1.00 0.00 C ATOM 149 CZ TYR A 11 -17.762 18.386 -12.438 1.00 0.00 C ATOM 150 OH TYR A 11 -17.769 17.847 -13.704 1.00 0.00 O ATOM 0 H TYR A 11 -16.058 20.012 -6.385 1.00 0.00 H new ATOM 0 HA TYR A 11 -15.978 21.115 -9.133 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -17.769 19.257 -7.756 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.645 20.655 -8.346 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.866 18.480 -9.662 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -19.629 20.327 -10.426 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.877 17.520 -11.921 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -19.644 19.367 -12.685 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.280 16.998 -13.701 1.00 0.00 H new ATOM 160 N THR A 12 -16.626 23.365 -8.373 1.00 0.00 N ATOM 161 CA THR A 12 -16.995 24.714 -7.963 1.00 0.00 C ATOM 162 C THR A 12 -17.737 25.443 -9.078 1.00 0.00 C ATOM 163 O THR A 12 -18.016 24.868 -10.130 1.00 0.00 O ATOM 164 CB THR A 12 -15.757 25.537 -7.561 1.00 0.00 C ATOM 165 OG1 THR A 12 -14.857 25.642 -8.670 1.00 0.00 O ATOM 166 CG2 THR A 12 -15.042 24.899 -6.380 1.00 0.00 C ATOM 0 H THR A 12 -16.088 23.319 -9.239 1.00 0.00 H new ATOM 0 HA THR A 12 -17.651 24.614 -7.098 1.00 0.00 H new ATOM 0 HB THR A 12 -16.090 26.533 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.254 26.402 -8.531 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.171 25.499 -6.115 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.720 24.848 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.721 23.893 -6.649 1.00 0.00 H new ATOM 174 N ARG A 13 -18.053 26.712 -8.840 1.00 0.00 N ATOM 175 CA ARG A 13 -18.763 27.519 -9.824 1.00 0.00 C ATOM 176 C ARG A 13 -18.501 29.006 -9.600 1.00 0.00 C ATOM 177 O ARG A 13 -18.159 29.441 -8.500 1.00 0.00 O ATOM 178 CB ARG A 13 -20.266 27.240 -9.756 1.00 0.00 C ATOM 179 CG ARG A 13 -20.975 27.991 -8.642 1.00 0.00 C ATOM 180 CD ARG A 13 -21.750 29.184 -9.179 1.00 0.00 C ATOM 181 NE ARG A 13 -23.194 29.002 -9.049 1.00 0.00 N ATOM 182 CZ ARG A 13 -23.865 29.231 -7.925 1.00 0.00 C ATOM 183 NH1 ARG A 13 -23.226 29.649 -6.841 1.00 0.00 N ATOM 184 NH2 ARG A 13 -25.178 29.043 -7.885 1.00 0.00 N ATOM 0 H ARG A 13 -17.828 27.203 -7.974 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.394 27.247 -10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.720 27.508 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.422 26.170 -9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -21.657 27.317 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -20.244 28.331 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -21.448 30.084 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -21.497 29.338 -10.228 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.715 28.682 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -22.217 29.796 -6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -23.743 29.824 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -25.673 28.722 -8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -25.692 29.219 -7.022 1.00 0.00 H new ATOM 198 N PRO A 14 -18.663 29.803 -10.666 1.00 0.00 N ATOM 199 CA PRO A 14 -18.448 31.252 -10.610 1.00 0.00 C ATOM 200 C PRO A 14 -19.519 31.966 -9.791 1.00 0.00 C ATOM 201 O PRO A 14 -20.707 31.886 -10.101 1.00 0.00 O ATOM 202 CB PRO A 14 -18.526 31.679 -12.078 1.00 0.00 C ATOM 203 CG PRO A 14 -19.364 30.636 -12.732 1.00 0.00 C ATOM 204 CD PRO A 14 -19.068 29.352 -12.007 1.00 0.00 C ATOM 0 HA PRO A 14 -17.504 31.505 -10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.974 32.668 -12.179 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.535 31.730 -12.529 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -20.423 30.887 -12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.124 30.550 -13.792 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.943 28.703 -11.965 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.275 28.787 -12.497 1.00 0.00 H new ATOM 212 N GLY A 15 -19.089 32.663 -8.744 1.00 0.00 N ATOM 213 CA GLY A 15 -20.024 33.381 -7.896 1.00 0.00 C ATOM 214 C GLY A 15 -20.359 32.620 -6.629 1.00 0.00 C ATOM 215 O GLY A 15 -21.373 32.889 -5.984 1.00 0.00 O ATOM 0 H GLY A 15 -18.111 32.744 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.601 34.350 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.941 33.574 -8.453 1.00 0.00 H new ATOM 219 N CYS A 16 -19.507 31.666 -6.270 1.00 0.00 N ATOM 220 CA CYS A 16 -19.718 30.861 -5.073 1.00 0.00 C ATOM 221 C CYS A 16 -18.627 31.128 -4.039 1.00 0.00 C ATOM 222 O CYS A 16 -17.485 30.692 -4.179 1.00 0.00 O ATOM 223 CB CYS A 16 -19.744 29.374 -5.430 1.00 0.00 C ATOM 224 SG CYS A 16 -20.050 28.274 -4.011 1.00 0.00 S ATOM 0 H CYS A 16 -18.663 31.431 -6.792 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.679 31.141 -4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -20.516 29.205 -6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.792 29.104 -5.886 1.00 0.00 H new ATOM 229 N PRO A 17 -18.987 31.862 -2.976 1.00 0.00 N ATOM 230 CA PRO A 17 -18.055 32.203 -1.897 1.00 0.00 C ATOM 231 C PRO A 17 -17.674 30.990 -1.055 1.00 0.00 C ATOM 232 O PRO A 17 -16.495 30.742 -0.802 1.00 0.00 O ATOM 233 CB PRO A 17 -18.839 33.213 -1.056 1.00 0.00 C ATOM 234 CG PRO A 17 -20.270 32.896 -1.320 1.00 0.00 C ATOM 235 CD PRO A 17 -20.332 32.415 -2.744 1.00 0.00 C ATOM 0 HA PRO A 17 -17.111 32.590 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.601 33.116 0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.601 34.237 -1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.633 32.131 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.897 33.776 -1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.106 31.660 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.556 33.229 -3.434 1.00 0.00 H new ATOM 243 N TYR A 18 -18.680 30.237 -0.623 1.00 0.00 N ATOM 244 CA TYR A 18 -18.450 29.051 0.193 1.00 0.00 C ATOM 245 C TYR A 18 -17.530 28.067 -0.522 1.00 0.00 C ATOM 246 O TYR A 18 -16.869 27.243 0.111 1.00 0.00 O ATOM 247 CB TYR A 18 -19.779 28.372 0.528 1.00 0.00 C ATOM 248 CG TYR A 18 -20.823 29.320 1.075 1.00 0.00 C ATOM 249 CD1 TYR A 18 -20.562 30.100 2.195 1.00 0.00 C ATOM 250 CD2 TYR A 18 -22.069 29.435 0.473 1.00 0.00 C ATOM 251 CE1 TYR A 18 -21.512 30.967 2.699 1.00 0.00 C ATOM 252 CE2 TYR A 18 -23.025 30.300 0.970 1.00 0.00 C ATOM 253 CZ TYR A 18 -22.742 31.064 2.083 1.00 0.00 C ATOM 254 OH TYR A 18 -23.692 31.926 2.581 1.00 0.00 O ATOM 0 H TYR A 18 -19.662 30.427 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 18 -17.966 29.366 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -20.170 27.894 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -19.600 27.582 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -19.600 30.027 2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.295 28.838 -0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.293 31.566 3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -23.989 30.378 0.489 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.501 31.874 2.031 1.00 0.00 H new ATOM 264 N CYS A 19 -17.492 28.159 -1.847 1.00 0.00 N ATOM 265 CA CYS A 19 -16.653 27.279 -2.652 1.00 0.00 C ATOM 266 C CYS A 19 -15.178 27.634 -2.489 1.00 0.00 C ATOM 267 O CYS A 19 -14.363 26.791 -2.117 1.00 0.00 O ATOM 268 CB CYS A 19 -17.051 27.368 -4.126 1.00 0.00 C ATOM 269 SG CYS A 19 -18.713 26.716 -4.489 1.00 0.00 S ATOM 0 H CYS A 19 -18.033 28.835 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.803 26.257 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -17.005 28.410 -4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.320 26.822 -4.722 1.00 0.00 H new ATOM 274 N ALA A 20 -14.843 28.889 -2.771 1.00 0.00 N ATOM 275 CA ALA A 20 -13.468 29.357 -2.654 1.00 0.00 C ATOM 276 C ALA A 20 -12.882 29.004 -1.292 1.00 0.00 C ATOM 277 O ALA A 20 -11.746 28.538 -1.196 1.00 0.00 O ATOM 278 CB ALA A 20 -13.400 30.859 -2.887 1.00 0.00 C ATOM 0 H ALA A 20 -15.505 29.600 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.873 28.855 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.367 31.195 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.770 31.089 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.014 31.370 -2.146 1.00 0.00 H new ATOM 284 N ARG A 21 -13.663 29.229 -0.240 1.00 0.00 N ATOM 285 CA ARG A 21 -13.220 28.936 1.117 1.00 0.00 C ATOM 286 C ARG A 21 -12.763 27.485 1.239 1.00 0.00 C ATOM 287 O ARG A 21 -11.681 27.206 1.754 1.00 0.00 O ATOM 288 CB ARG A 21 -14.346 29.212 2.115 1.00 0.00 C ATOM 289 CG ARG A 21 -14.370 30.644 2.625 1.00 0.00 C ATOM 290 CD ARG A 21 -13.112 30.975 3.413 1.00 0.00 C ATOM 291 NE ARG A 21 -12.174 31.778 2.634 1.00 0.00 N ATOM 292 CZ ARG A 21 -12.339 33.074 2.394 1.00 0.00 C ATOM 293 NH1 ARG A 21 -13.400 33.711 2.870 1.00 0.00 N ATOM 294 NH2 ARG A 21 -11.441 33.737 1.676 1.00 0.00 N ATOM 0 H ARG A 21 -14.606 29.613 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.375 29.586 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.302 28.987 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.243 28.535 2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.464 31.330 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.246 30.792 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.384 31.514 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.626 30.051 3.725 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.347 31.319 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.093 33.206 3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.523 34.706 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.623 33.251 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.569 34.732 1.492 1.00 0.00 H new ATOM 308 N ALA A 22 -13.596 26.566 0.762 1.00 0.00 N ATOM 309 CA ALA A 22 -13.277 25.145 0.815 1.00 0.00 C ATOM 310 C ALA A 22 -11.982 24.844 0.067 1.00 0.00 C ATOM 311 O ALA A 22 -11.088 24.182 0.594 1.00 0.00 O ATOM 312 CB ALA A 22 -14.423 24.325 0.242 1.00 0.00 C ATOM 0 H ALA A 22 -14.497 26.780 0.334 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.134 24.869 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.171 23.266 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.327 24.508 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.593 24.613 -0.795 1.00 0.00 H new ATOM 318 N LYS A 23 -11.889 25.333 -1.164 1.00 0.00 N ATOM 319 CA LYS A 23 -10.703 25.118 -1.986 1.00 0.00 C ATOM 320 C LYS A 23 -9.441 25.537 -1.239 1.00 0.00 C ATOM 321 O LYS A 23 -8.515 24.744 -1.071 1.00 0.00 O ATOM 322 CB LYS A 23 -10.817 25.899 -3.296 1.00 0.00 C ATOM 323 CG LYS A 23 -12.002 25.484 -4.151 1.00 0.00 C ATOM 324 CD LYS A 23 -11.589 25.230 -5.591 1.00 0.00 C ATOM 325 CE LYS A 23 -10.960 26.466 -6.217 1.00 0.00 C ATOM 326 NZ LYS A 23 -11.523 26.752 -7.566 1.00 0.00 N ATOM 0 H LYS A 23 -12.621 25.881 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.635 24.054 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.898 26.962 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.900 25.764 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.453 24.582 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.763 26.263 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.881 24.402 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.460 24.929 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.122 27.325 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.882 26.325 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.749 26.826 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.164 25.982 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.050 27.648 -7.539 1.00 0.00 H new ATOM 340 N ALA A 24 -9.411 26.789 -0.793 1.00 0.00 N ATOM 341 CA ALA A 24 -8.263 27.312 -0.062 1.00 0.00 C ATOM 342 C ALA A 24 -7.966 26.465 1.171 1.00 0.00 C ATOM 343 O ALA A 24 -6.805 26.216 1.501 1.00 0.00 O ATOM 344 CB ALA A 24 -8.507 28.760 0.336 1.00 0.00 C ATOM 0 H ALA A 24 -10.168 27.459 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.394 27.269 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.642 29.138 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.663 29.362 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.391 28.819 0.972 1.00 0.00 H new ATOM 350 N LEU A 25 -9.020 26.024 1.849 1.00 0.00 N ATOM 351 CA LEU A 25 -8.872 25.205 3.047 1.00 0.00 C ATOM 352 C LEU A 25 -8.112 23.920 2.737 1.00 0.00 C ATOM 353 O LEU A 25 -7.204 23.529 3.472 1.00 0.00 O ATOM 354 CB LEU A 25 -10.244 24.871 3.633 1.00 0.00 C ATOM 355 CG LEU A 25 -10.241 24.057 4.928 1.00 0.00 C ATOM 356 CD1 LEU A 25 -9.377 24.732 5.981 1.00 0.00 C ATOM 357 CD2 LEU A 25 -11.661 23.867 5.442 1.00 0.00 C ATOM 0 H LEU A 25 -9.987 26.220 1.589 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.301 25.776 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.776 25.805 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.813 24.321 2.883 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.818 23.075 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.387 24.138 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.354 24.815 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.769 25.727 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.640 23.286 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.111 24.841 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.251 23.338 4.693 1.00 0.00 H new ATOM 369 N LEU A 26 -8.486 23.267 1.642 1.00 0.00 N ATOM 370 CA LEU A 26 -7.839 22.025 1.233 1.00 0.00 C ATOM 371 C LEU A 26 -6.410 22.285 0.765 1.00 0.00 C ATOM 372 O LEU A 26 -5.519 21.462 0.973 1.00 0.00 O ATOM 373 CB LEU A 26 -8.639 21.354 0.115 1.00 0.00 C ATOM 374 CG LEU A 26 -9.642 20.287 0.555 1.00 0.00 C ATOM 375 CD1 LEU A 26 -10.672 20.040 -0.536 1.00 0.00 C ATOM 376 CD2 LEU A 26 -8.922 18.995 0.914 1.00 0.00 C ATOM 0 H LEU A 26 -9.234 23.577 1.021 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.805 21.360 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.178 22.127 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.937 20.898 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.163 20.648 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.377 19.278 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.209 20.965 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.169 19.700 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.651 18.247 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.375 18.630 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.224 19.182 1.730 1.00 0.00 H new ATOM 388 N ALA A 27 -6.199 23.436 0.135 1.00 0.00 N ATOM 389 CA ALA A 27 -4.878 23.806 -0.357 1.00 0.00 C ATOM 390 C ALA A 27 -3.961 24.218 0.789 1.00 0.00 C ATOM 391 O ALA A 27 -2.738 24.117 0.684 1.00 0.00 O ATOM 392 CB ALA A 27 -4.991 24.931 -1.376 1.00 0.00 C ATOM 0 H ALA A 27 -6.926 24.128 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.440 22.933 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.997 25.198 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.604 24.602 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.453 25.800 -0.908 1.00 0.00 H new ATOM 398 N ARG A 28 -4.558 24.684 1.881 1.00 0.00 N ATOM 399 CA ARG A 28 -3.793 25.112 3.046 1.00 0.00 C ATOM 400 C ARG A 28 -2.802 24.034 3.473 1.00 0.00 C ATOM 401 O ARG A 28 -1.609 24.297 3.626 1.00 0.00 O ATOM 402 CB ARG A 28 -4.734 25.444 4.206 1.00 0.00 C ATOM 403 CG ARG A 28 -4.085 26.284 5.294 1.00 0.00 C ATOM 404 CD ARG A 28 -5.128 26.950 6.179 1.00 0.00 C ATOM 405 NE ARG A 28 -4.587 27.307 7.488 1.00 0.00 N ATOM 406 CZ ARG A 28 -5.273 27.974 8.409 1.00 0.00 C ATOM 407 NH1 ARG A 28 -6.520 28.353 8.167 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.712 28.263 9.576 1.00 0.00 N ATOM 0 H ARG A 28 -5.569 24.775 1.983 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.233 26.007 2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.603 25.976 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.099 24.515 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.437 25.654 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.452 27.046 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.504 27.846 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.976 26.278 6.308 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.630 27.029 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.955 28.132 7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.044 28.865 8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.753 27.973 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.240 28.775 10.283 1.00 0.00 H new ATOM 422 N LYS A 29 -3.304 22.819 3.664 1.00 0.00 N ATOM 423 CA LYS A 29 -2.465 21.699 4.073 1.00 0.00 C ATOM 424 C LYS A 29 -1.621 21.197 2.905 1.00 0.00 C ATOM 425 O LYS A 29 -0.695 20.408 3.090 1.00 0.00 O ATOM 426 CB LYS A 29 -3.328 20.560 4.619 1.00 0.00 C ATOM 427 CG LYS A 29 -4.343 20.033 3.619 1.00 0.00 C ATOM 428 CD LYS A 29 -5.554 19.436 4.316 1.00 0.00 C ATOM 429 CE LYS A 29 -5.174 18.228 5.159 1.00 0.00 C ATOM 430 NZ LYS A 29 -5.593 18.389 6.579 1.00 0.00 N ATOM 0 H LYS A 29 -4.289 22.585 3.542 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.796 22.047 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.679 19.742 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.853 20.908 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.662 20.842 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.875 19.277 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.019 20.191 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.295 19.143 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.638 17.334 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.095 18.078 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.316 17.545 7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.131 19.228 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.625 18.507 6.625 1.00 0.00 H new ATOM 444 N GLY A 30 -1.948 21.660 1.703 1.00 0.00 N ATOM 445 CA GLY A 30 -1.210 21.248 0.523 1.00 0.00 C ATOM 446 C GLY A 30 -1.948 20.200 -0.286 1.00 0.00 C ATOM 447 O GLY A 30 -1.537 19.859 -1.395 1.00 0.00 O ATOM 0 H GLY A 30 -2.711 22.313 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.019 22.119 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.240 20.853 0.825 1.00 0.00 H new ATOM 451 N ALA A 31 -3.040 19.686 0.270 1.00 0.00 N ATOM 452 CA ALA A 31 -3.837 18.671 -0.407 1.00 0.00 C ATOM 453 C ALA A 31 -4.195 19.109 -1.823 1.00 0.00 C ATOM 454 O ALA A 31 -4.923 20.082 -2.016 1.00 0.00 O ATOM 455 CB ALA A 31 -5.098 18.372 0.389 1.00 0.00 C ATOM 0 H ALA A 31 -3.393 19.956 1.188 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.240 17.762 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.683 17.612 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.825 18.008 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.690 19.282 0.488 1.00 0.00 H new ATOM 461 N GLU A 32 -3.678 18.384 -2.811 1.00 0.00 N ATOM 462 CA GLU A 32 -3.943 18.701 -4.209 1.00 0.00 C ATOM 463 C GLU A 32 -5.268 18.095 -4.663 1.00 0.00 C ATOM 464 O GLU A 32 -5.648 17.007 -4.227 1.00 0.00 O ATOM 465 CB GLU A 32 -2.806 18.188 -5.095 1.00 0.00 C ATOM 466 CG GLU A 32 -1.668 19.181 -5.261 1.00 0.00 C ATOM 467 CD GLU A 32 -2.113 20.475 -5.916 1.00 0.00 C ATOM 468 OE1 GLU A 32 -3.032 20.425 -6.761 1.00 0.00 O ATOM 469 OE2 GLU A 32 -1.544 21.535 -5.583 1.00 0.00 O ATOM 0 H GLU A 32 -3.074 17.574 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.008 19.785 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.412 17.265 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.206 17.940 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.238 19.402 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.879 18.727 -5.861 1.00 0.00 H new ATOM 476 N PHE A 33 -5.969 18.807 -5.539 1.00 0.00 N ATOM 477 CA PHE A 33 -7.252 18.341 -6.051 1.00 0.00 C ATOM 478 C PHE A 33 -7.551 18.959 -7.414 1.00 0.00 C ATOM 479 O PHE A 33 -7.177 20.099 -7.686 1.00 0.00 O ATOM 480 CB PHE A 33 -8.372 18.685 -5.067 1.00 0.00 C ATOM 481 CG PHE A 33 -8.382 20.128 -4.649 1.00 0.00 C ATOM 482 CD1 PHE A 33 -8.907 21.101 -5.484 1.00 0.00 C ATOM 483 CD2 PHE A 33 -7.867 20.511 -3.421 1.00 0.00 C ATOM 484 CE1 PHE A 33 -8.916 22.429 -5.103 1.00 0.00 C ATOM 485 CE2 PHE A 33 -7.874 21.838 -3.034 1.00 0.00 C ATOM 486 CZ PHE A 33 -8.400 22.798 -3.876 1.00 0.00 C ATOM 0 H PHE A 33 -5.670 19.709 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.197 17.259 -6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.332 18.440 -5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.271 18.059 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.314 20.818 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.455 19.764 -2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.326 23.178 -5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.469 22.124 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.408 23.835 -3.576 1.00 0.00 H new ATOM 496 N ASN A 34 -8.226 18.196 -8.267 1.00 0.00 N ATOM 497 CA ASN A 34 -8.574 18.666 -9.603 1.00 0.00 C ATOM 498 C ASN A 34 -9.739 19.650 -9.547 1.00 0.00 C ATOM 499 O ASN A 34 -10.837 19.302 -9.114 1.00 0.00 O ATOM 500 CB ASN A 34 -8.933 17.484 -10.505 1.00 0.00 C ATOM 501 CG ASN A 34 -8.906 17.850 -11.977 1.00 0.00 C ATOM 502 OD1 ASN A 34 -8.142 18.719 -12.397 1.00 0.00 O ATOM 503 ND2 ASN A 34 -9.742 17.187 -12.767 1.00 0.00 N ATOM 0 H ASN A 34 -8.543 17.250 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.707 19.180 -10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.235 16.667 -10.324 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.926 17.119 -10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.769 17.390 -13.766 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.357 16.474 -12.375 1.00 0.00 H new ATOM 510 N GLU A 35 -9.490 20.879 -9.988 1.00 0.00 N ATOM 511 CA GLU A 35 -10.518 21.913 -9.988 1.00 0.00 C ATOM 512 C GLU A 35 -11.369 21.834 -11.252 1.00 0.00 C ATOM 513 O GLU A 35 -10.869 22.019 -12.362 1.00 0.00 O ATOM 514 CB GLU A 35 -9.880 23.299 -9.875 1.00 0.00 C ATOM 515 CG GLU A 35 -10.890 24.432 -9.821 1.00 0.00 C ATOM 516 CD GLU A 35 -10.352 25.722 -10.409 1.00 0.00 C ATOM 517 OE1 GLU A 35 -9.114 25.880 -10.462 1.00 0.00 O ATOM 518 OE2 GLU A 35 -11.169 26.574 -10.816 1.00 0.00 O ATOM 0 H GLU A 35 -8.586 21.183 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.163 21.747 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.261 23.333 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.217 23.455 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.789 24.138 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.183 24.604 -8.785 1.00 0.00 H new ATOM 525 N ILE A 36 -12.657 21.559 -11.075 1.00 0.00 N ATOM 526 CA ILE A 36 -13.578 21.456 -12.200 1.00 0.00 C ATOM 527 C ILE A 36 -14.778 22.378 -12.014 1.00 0.00 C ATOM 528 O ILE A 36 -15.233 22.603 -10.893 1.00 0.00 O ATOM 529 CB ILE A 36 -14.078 20.012 -12.388 1.00 0.00 C ATOM 530 CG1 ILE A 36 -12.894 19.051 -12.516 1.00 0.00 C ATOM 531 CG2 ILE A 36 -14.978 19.918 -13.611 1.00 0.00 C ATOM 532 CD1 ILE A 36 -13.300 17.594 -12.555 1.00 0.00 C ATOM 0 H ILE A 36 -13.086 21.404 -10.163 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.025 21.758 -13.089 1.00 0.00 H new ATOM 0 HB ILE A 36 -14.659 19.728 -11.511 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.339 19.290 -13.423 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.216 19.209 -11.677 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.323 18.891 -13.731 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.837 20.577 -13.482 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.420 20.218 -14.498 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.410 16.971 -12.647 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.829 17.339 -11.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.954 17.421 -13.410 1.00 0.00 H new ATOM 544 N ASP A 37 -15.287 22.908 -13.121 1.00 0.00 N ATOM 545 CA ASP A 37 -16.437 23.803 -13.081 1.00 0.00 C ATOM 546 C ASP A 37 -17.741 23.020 -13.204 1.00 0.00 C ATOM 547 O ASP A 37 -17.787 21.970 -13.843 1.00 0.00 O ATOM 548 CB ASP A 37 -16.343 24.839 -14.203 1.00 0.00 C ATOM 549 CG ASP A 37 -15.297 25.901 -13.923 1.00 0.00 C ATOM 550 OD1 ASP A 37 -14.777 25.937 -12.789 1.00 0.00 O ATOM 551 OD2 ASP A 37 -15.000 26.697 -14.839 1.00 0.00 O ATOM 0 H ASP A 37 -14.921 22.733 -14.057 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.432 24.317 -12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.104 24.335 -15.140 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.314 25.316 -14.336 1.00 0.00 H new ATOM 556 N ALA A 38 -18.797 23.539 -12.585 1.00 0.00 N ATOM 557 CA ALA A 38 -20.101 22.889 -12.626 1.00 0.00 C ATOM 558 C ALA A 38 -21.115 23.740 -13.381 1.00 0.00 C ATOM 559 O ALA A 38 -21.946 23.219 -14.125 1.00 0.00 O ATOM 560 CB ALA A 38 -20.593 22.605 -11.214 1.00 0.00 C ATOM 0 H ALA A 38 -18.775 24.407 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.992 21.944 -13.158 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.568 22.119 -11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.885 21.950 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -20.679 23.542 -10.663 1.00 0.00 H new ATOM 566 N SER A 39 -21.042 25.053 -13.185 1.00 0.00 N ATOM 567 CA SER A 39 -21.957 25.977 -13.844 1.00 0.00 C ATOM 568 C SER A 39 -21.727 25.986 -15.353 1.00 0.00 C ATOM 569 O SER A 39 -22.550 26.494 -16.114 1.00 0.00 O ATOM 570 CB SER A 39 -21.783 27.389 -13.282 1.00 0.00 C ATOM 571 OG SER A 39 -22.673 28.299 -13.905 1.00 0.00 O ATOM 0 H SER A 39 -20.358 25.501 -12.575 1.00 0.00 H new ATOM 0 HA SER A 39 -22.975 25.640 -13.651 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.961 27.380 -12.207 1.00 0.00 H new ATOM 0 HB3 SER A 39 -20.755 27.720 -13.433 1.00 0.00 H new ATOM 0 HG SER A 39 -22.804 28.040 -14.841 1.00 0.00 H new ATOM 577 N ALA A 40 -20.603 25.419 -15.777 1.00 0.00 N ATOM 578 CA ALA A 40 -20.264 25.359 -17.193 1.00 0.00 C ATOM 579 C ALA A 40 -21.425 24.805 -18.012 1.00 0.00 C ATOM 580 O ALA A 40 -21.607 25.166 -19.175 1.00 0.00 O ATOM 581 CB ALA A 40 -19.017 24.513 -17.403 1.00 0.00 C ATOM 0 H ALA A 40 -19.911 24.994 -15.160 1.00 0.00 H new ATOM 0 HA ALA A 40 -20.063 26.374 -17.536 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.776 24.477 -18.465 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.183 24.953 -16.856 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.197 23.502 -17.038 1.00 0.00 H new ATOM 587 N THR A 41 -22.209 23.923 -17.398 1.00 0.00 N ATOM 588 CA THR A 41 -23.351 23.318 -18.071 1.00 0.00 C ATOM 589 C THR A 41 -24.489 23.053 -17.091 1.00 0.00 C ATOM 590 O THR A 41 -24.289 22.963 -15.880 1.00 0.00 O ATOM 591 CB THR A 41 -22.962 21.995 -18.757 1.00 0.00 C ATOM 592 OG1 THR A 41 -21.765 21.472 -18.171 1.00 0.00 O ATOM 593 CG2 THR A 41 -22.753 22.201 -20.250 1.00 0.00 C ATOM 0 H THR A 41 -22.073 23.612 -16.436 1.00 0.00 H new ATOM 0 HA THR A 41 -23.684 24.028 -18.828 1.00 0.00 H new ATOM 0 HB THR A 41 -23.776 21.285 -18.614 1.00 0.00 H new ATOM 0 HG1 THR A 41 -21.114 21.275 -18.877 1.00 0.00 H new ATOM 0 HG21 THR A 41 -22.479 21.253 -20.713 1.00 0.00 H new ATOM 0 HG22 THR A 41 -23.675 22.571 -20.699 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.955 22.927 -20.409 1.00 0.00 H new ATOM 601 N PRO A 42 -25.713 22.924 -17.626 1.00 0.00 N ATOM 602 CA PRO A 42 -26.907 22.667 -16.816 1.00 0.00 C ATOM 603 C PRO A 42 -26.912 21.263 -16.220 1.00 0.00 C ATOM 604 O PRO A 42 -27.309 21.067 -15.072 1.00 0.00 O ATOM 605 CB PRO A 42 -28.055 22.828 -17.815 1.00 0.00 C ATOM 606 CG PRO A 42 -27.445 22.535 -19.143 1.00 0.00 C ATOM 607 CD PRO A 42 -26.024 23.020 -19.062 1.00 0.00 C ATOM 0 HA PRO A 42 -26.971 23.339 -15.960 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -28.872 22.141 -17.594 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -28.469 23.836 -17.783 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -27.481 21.468 -19.362 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -27.986 23.043 -19.941 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -25.354 22.403 -19.661 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -25.927 24.043 -19.427 1.00 0.00 H new ATOM 615 N GLU A 43 -26.468 20.289 -17.009 1.00 0.00 N ATOM 616 CA GLU A 43 -26.422 18.903 -16.558 1.00 0.00 C ATOM 617 C GLU A 43 -25.325 18.706 -15.516 1.00 0.00 C ATOM 618 O GLU A 43 -25.550 18.097 -14.469 1.00 0.00 O ATOM 619 CB GLU A 43 -26.188 17.965 -17.745 1.00 0.00 C ATOM 620 CG GLU A 43 -27.468 17.526 -18.436 1.00 0.00 C ATOM 621 CD GLU A 43 -28.010 18.579 -19.383 1.00 0.00 C ATOM 622 OE1 GLU A 43 -27.259 19.011 -20.283 1.00 0.00 O ATOM 623 OE2 GLU A 43 -29.185 18.971 -19.224 1.00 0.00 O ATOM 0 H GLU A 43 -26.136 20.434 -17.962 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.382 18.665 -16.099 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -25.546 18.464 -18.471 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -25.651 17.082 -17.399 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.280 16.606 -18.990 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.222 17.296 -17.684 1.00 0.00 H new ATOM 630 N LEU A 44 -24.138 19.224 -15.810 1.00 0.00 N ATOM 631 CA LEU A 44 -23.005 19.105 -14.899 1.00 0.00 C ATOM 632 C LEU A 44 -23.352 19.662 -13.522 1.00 0.00 C ATOM 633 O LEU A 44 -22.929 19.124 -12.499 1.00 0.00 O ATOM 634 CB LEU A 44 -21.790 19.840 -15.467 1.00 0.00 C ATOM 635 CG LEU A 44 -20.857 19.011 -16.351 1.00 0.00 C ATOM 636 CD1 LEU A 44 -19.722 19.872 -16.885 1.00 0.00 C ATOM 637 CD2 LEU A 44 -20.307 17.821 -15.578 1.00 0.00 C ATOM 0 H LEU A 44 -23.935 19.730 -16.672 1.00 0.00 H new ATOM 0 HA LEU A 44 -22.766 18.047 -14.793 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.144 20.693 -16.046 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.210 20.239 -14.635 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.430 18.635 -17.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.069 19.265 -17.512 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.133 20.691 -17.476 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.150 20.278 -16.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.645 17.243 -16.223 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.750 18.176 -14.711 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.132 17.191 -15.246 1.00 0.00 H new ATOM 649 N ARG A 45 -24.127 20.742 -13.504 1.00 0.00 N ATOM 650 CA ARG A 45 -24.532 21.371 -12.253 1.00 0.00 C ATOM 651 C ARG A 45 -25.766 20.684 -11.675 1.00 0.00 C ATOM 652 O ARG A 45 -25.922 20.589 -10.458 1.00 0.00 O ATOM 653 CB ARG A 45 -24.819 22.857 -12.474 1.00 0.00 C ATOM 654 CG ARG A 45 -25.067 23.627 -11.188 1.00 0.00 C ATOM 655 CD ARG A 45 -26.055 24.764 -11.401 1.00 0.00 C ATOM 656 NE ARG A 45 -25.629 25.667 -12.466 1.00 0.00 N ATOM 657 CZ ARG A 45 -26.072 26.913 -12.594 1.00 0.00 C ATOM 658 NH1 ARG A 45 -26.949 27.400 -11.728 1.00 0.00 N ATOM 659 NH2 ARG A 45 -25.637 27.674 -13.590 1.00 0.00 N ATOM 0 H ARG A 45 -24.487 21.199 -14.342 1.00 0.00 H new ATOM 0 HA ARG A 45 -23.713 21.269 -11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -23.977 23.307 -13.000 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -25.690 22.958 -13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -25.450 22.949 -10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -24.124 24.028 -10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -27.034 24.352 -11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -26.167 25.325 -10.473 1.00 0.00 H new ATOM 0 HE ARG A 45 -24.954 25.323 -13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -27.285 26.818 -10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -27.288 28.357 -11.829 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -24.962 27.303 -14.258 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -25.978 28.630 -13.687 1.00 0.00 H new ATOM 673 N ALA A 46 -26.640 20.208 -12.555 1.00 0.00 N ATOM 674 CA ALA A 46 -27.859 19.530 -12.132 1.00 0.00 C ATOM 675 C ALA A 46 -27.540 18.213 -11.433 1.00 0.00 C ATOM 676 O ALA A 46 -28.129 17.889 -10.402 1.00 0.00 O ATOM 677 CB ALA A 46 -28.770 19.288 -13.327 1.00 0.00 C ATOM 0 H ALA A 46 -26.527 20.279 -13.566 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.375 20.174 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.677 18.781 -12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -29.034 20.242 -13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -28.253 18.667 -14.059 1.00 0.00 H new ATOM 683 N GLU A 47 -26.604 17.458 -12.000 1.00 0.00 N ATOM 684 CA GLU A 47 -26.209 16.176 -11.430 1.00 0.00 C ATOM 685 C GLU A 47 -25.471 16.372 -10.108 1.00 0.00 C ATOM 686 O GLU A 47 -25.567 15.544 -9.203 1.00 0.00 O ATOM 687 CB GLU A 47 -25.322 15.408 -12.412 1.00 0.00 C ATOM 688 CG GLU A 47 -24.003 16.100 -12.711 1.00 0.00 C ATOM 689 CD GLU A 47 -23.467 15.765 -14.089 1.00 0.00 C ATOM 690 OE1 GLU A 47 -24.273 15.704 -15.041 1.00 0.00 O ATOM 691 OE2 GLU A 47 -22.241 15.564 -14.216 1.00 0.00 O ATOM 0 H GLU A 47 -26.106 17.712 -12.853 1.00 0.00 H new ATOM 0 HA GLU A 47 -27.113 15.598 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.119 14.417 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.867 15.265 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -24.137 17.179 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -23.268 15.812 -11.960 1.00 0.00 H new ATOM 698 N MET A 48 -24.735 17.474 -10.006 1.00 0.00 N ATOM 699 CA MET A 48 -23.982 17.780 -8.795 1.00 0.00 C ATOM 700 C MET A 48 -24.907 18.283 -7.692 1.00 0.00 C ATOM 701 O MET A 48 -24.878 17.782 -6.569 1.00 0.00 O ATOM 702 CB MET A 48 -22.904 18.824 -9.090 1.00 0.00 C ATOM 703 CG MET A 48 -21.504 18.241 -9.191 1.00 0.00 C ATOM 704 SD MET A 48 -21.272 17.245 -10.675 1.00 0.00 S ATOM 705 CE MET A 48 -20.304 15.886 -10.023 1.00 0.00 C ATOM 0 H MET A 48 -24.644 18.169 -10.747 1.00 0.00 H new ATOM 0 HA MET A 48 -23.504 16.862 -8.452 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.146 19.330 -10.025 1.00 0.00 H new ATOM 0 HB3 MET A 48 -22.918 19.580 -8.305 1.00 0.00 H new ATOM 0 HG2 MET A 48 -20.776 19.052 -9.185 1.00 0.00 H new ATOM 0 HG3 MET A 48 -21.306 17.628 -8.312 1.00 0.00 H new ATOM 0 HE1 MET A 48 -20.080 15.182 -10.824 1.00 0.00 H new ATOM 0 HE2 MET A 48 -19.373 16.270 -9.606 1.00 0.00 H new ATOM 0 HE3 MET A 48 -20.870 15.378 -9.242 1.00 0.00 H new ATOM 715 N GLN A 49 -25.726 19.277 -8.021 1.00 0.00 N ATOM 716 CA GLN A 49 -26.659 19.849 -7.056 1.00 0.00 C ATOM 717 C GLN A 49 -27.717 18.828 -6.652 1.00 0.00 C ATOM 718 O GLN A 49 -28.311 18.928 -5.579 1.00 0.00 O ATOM 719 CB GLN A 49 -27.330 21.093 -7.640 1.00 0.00 C ATOM 720 CG GLN A 49 -28.417 20.778 -8.656 1.00 0.00 C ATOM 721 CD GLN A 49 -29.100 22.024 -9.185 1.00 0.00 C ATOM 722 OE1 GLN A 49 -28.308 23.031 -9.533 1.00 0.00 O flip ATOM 723 NE2 GLN A 49 -30.327 22.080 -9.279 1.00 0.00 N flip ATOM 0 H GLN A 49 -25.763 19.703 -8.947 1.00 0.00 H new ATOM 0 HA GLN A 49 -26.096 20.133 -6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -27.762 21.678 -6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -26.571 21.716 -8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -27.982 20.226 -9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -29.161 20.128 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -30.897 21.281 -9.000 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -30.773 22.925 -9.636 1.00 0.00 H new ATOM 732 N GLU A 50 -27.948 17.846 -7.518 1.00 0.00 N ATOM 733 CA GLU A 50 -28.936 16.808 -7.250 1.00 0.00 C ATOM 734 C GLU A 50 -28.474 15.897 -6.116 1.00 0.00 C ATOM 735 O GLU A 50 -29.286 15.243 -5.462 1.00 0.00 O ATOM 736 CB GLU A 50 -29.193 15.980 -8.511 1.00 0.00 C ATOM 737 CG GLU A 50 -30.057 14.754 -8.268 1.00 0.00 C ATOM 738 CD GLU A 50 -30.602 14.160 -9.553 1.00 0.00 C ATOM 739 OE1 GLU A 50 -31.565 14.729 -10.107 1.00 0.00 O ATOM 740 OE2 GLU A 50 -30.064 13.127 -10.004 1.00 0.00 O ATOM 0 H GLU A 50 -27.464 17.748 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 50 -29.863 17.294 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -29.674 16.611 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -28.237 15.664 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -29.471 13.999 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -30.888 15.023 -7.616 1.00 0.00 H new ATOM 747 N ARG A 51 -27.165 15.860 -5.891 1.00 0.00 N ATOM 748 CA ARG A 51 -26.594 15.028 -4.838 1.00 0.00 C ATOM 749 C ARG A 51 -26.661 15.737 -3.489 1.00 0.00 C ATOM 750 O ARG A 51 -26.875 15.106 -2.455 1.00 0.00 O ATOM 751 CB ARG A 51 -25.143 14.674 -5.169 1.00 0.00 C ATOM 752 CG ARG A 51 -24.990 13.854 -6.439 1.00 0.00 C ATOM 753 CD ARG A 51 -23.533 13.747 -6.862 1.00 0.00 C ATOM 754 NE ARG A 51 -23.148 12.369 -7.155 1.00 0.00 N ATOM 755 CZ ARG A 51 -23.533 11.714 -8.245 1.00 0.00 C ATOM 756 NH1 ARG A 51 -24.310 12.309 -9.140 1.00 0.00 N ATOM 757 NH2 ARG A 51 -23.141 10.462 -8.441 1.00 0.00 N ATOM 0 H ARG A 51 -26.480 16.396 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 51 -27.179 14.111 -4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -24.567 15.594 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -24.714 14.119 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -25.398 12.856 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.570 14.311 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.365 14.366 -7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -22.896 14.141 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 51 -22.551 11.883 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -24.613 13.272 -8.992 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -24.604 11.804 -9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.544 10.001 -7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -23.437 9.960 -9.278 1.00 0.00 H new ATOM 771 N SER A 52 -26.475 17.054 -3.508 1.00 0.00 N ATOM 772 CA SER A 52 -26.510 17.848 -2.286 1.00 0.00 C ATOM 773 C SER A 52 -27.949 18.130 -1.862 1.00 0.00 C ATOM 774 O SER A 52 -28.265 18.152 -0.674 1.00 0.00 O ATOM 775 CB SER A 52 -25.759 19.165 -2.487 1.00 0.00 C ATOM 776 OG SER A 52 -26.659 20.253 -2.607 1.00 0.00 O ATOM 0 H SER A 52 -26.299 17.593 -4.356 1.00 0.00 H new ATOM 0 HA SER A 52 -26.022 17.276 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 52 -25.087 19.336 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 52 -25.140 19.101 -3.382 1.00 0.00 H new ATOM 0 HG SER A 52 -26.160 21.096 -2.573 1.00 0.00 H new ATOM 782 N GLY A 53 -28.817 18.345 -2.846 1.00 0.00 N ATOM 783 CA GLY A 53 -30.212 18.623 -2.556 1.00 0.00 C ATOM 784 C GLY A 53 -30.472 20.098 -2.320 1.00 0.00 C ATOM 785 O GLY A 53 -31.339 20.463 -1.525 1.00 0.00 O ATOM 0 H GLY A 53 -28.580 18.332 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -30.828 18.277 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -30.516 18.058 -1.675 1.00 0.00 H new ATOM 789 N ARG A 54 -29.720 20.948 -3.012 1.00 0.00 N ATOM 790 CA ARG A 54 -29.872 22.391 -2.871 1.00 0.00 C ATOM 791 C ARG A 54 -29.488 23.106 -4.163 1.00 0.00 C ATOM 792 O ARG A 54 -29.055 22.477 -5.128 1.00 0.00 O ATOM 793 CB ARG A 54 -29.012 22.906 -1.716 1.00 0.00 C ATOM 794 CG ARG A 54 -29.421 22.354 -0.360 1.00 0.00 C ATOM 795 CD ARG A 54 -28.594 22.963 0.762 1.00 0.00 C ATOM 796 NE ARG A 54 -29.251 22.834 2.059 1.00 0.00 N ATOM 797 CZ ARG A 54 -28.923 23.556 3.125 1.00 0.00 C ATOM 798 NH1 ARG A 54 -27.950 24.454 3.047 1.00 0.00 N ATOM 799 NH2 ARG A 54 -29.568 23.381 4.271 1.00 0.00 N ATOM 0 H ARG A 54 -29.000 20.662 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 54 -30.920 22.601 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -27.970 22.646 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -29.069 23.994 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -30.478 22.558 -0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -29.301 21.271 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -27.620 22.476 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -28.415 24.017 0.550 1.00 0.00 H new ATOM 0 HE ARG A 54 -30.004 22.152 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -27.452 24.591 2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -27.700 25.007 3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -30.317 22.691 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -29.315 23.936 5.089 1.00 0.00 H new ATOM 813 N ASN A 55 -29.650 24.426 -4.174 1.00 0.00 N ATOM 814 CA ASN A 55 -29.322 25.226 -5.348 1.00 0.00 C ATOM 815 C ASN A 55 -27.997 24.779 -5.958 1.00 0.00 C ATOM 816 O ASN A 55 -27.971 24.105 -6.988 1.00 0.00 O ATOM 817 CB ASN A 55 -29.250 26.709 -4.976 1.00 0.00 C ATOM 818 CG ASN A 55 -28.803 26.924 -3.543 1.00 0.00 C ATOM 819 OD1 ASN A 55 -29.557 26.677 -2.601 1.00 0.00 O ATOM 820 ND2 ASN A 55 -27.570 27.388 -3.371 1.00 0.00 N ATOM 0 H ASN A 55 -30.006 24.963 -3.383 1.00 0.00 H new ATOM 0 HA ASN A 55 -30.110 25.081 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -28.559 27.217 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -30.229 27.165 -5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -27.214 27.553 -2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -26.979 27.579 -4.180 1.00 0.00 H new ATOM 827 N THR A 56 -26.897 25.159 -5.315 1.00 0.00 N ATOM 828 CA THR A 56 -25.569 24.798 -5.793 1.00 0.00 C ATOM 829 C THR A 56 -24.525 24.965 -4.695 1.00 0.00 C ATOM 830 O THR A 56 -24.491 25.985 -4.006 1.00 0.00 O ATOM 831 CB THR A 56 -25.159 25.650 -7.009 1.00 0.00 C ATOM 832 OG1 THR A 56 -26.295 25.882 -7.850 1.00 0.00 O ATOM 833 CG2 THR A 56 -24.063 24.960 -7.809 1.00 0.00 C ATOM 0 H THR A 56 -26.900 25.717 -4.461 1.00 0.00 H new ATOM 0 HA THR A 56 -25.614 23.751 -6.091 1.00 0.00 H new ATOM 0 HB THR A 56 -24.776 26.603 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 56 -26.837 25.067 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 56 -23.790 25.580 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.189 24.810 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.424 23.994 -8.163 1.00 0.00 H new ATOM 841 N PHE A 57 -23.672 23.958 -4.537 1.00 0.00 N ATOM 842 CA PHE A 57 -22.626 23.994 -3.522 1.00 0.00 C ATOM 843 C PHE A 57 -21.371 23.276 -4.009 1.00 0.00 C ATOM 844 O PHE A 57 -21.398 22.506 -4.970 1.00 0.00 O ATOM 845 CB PHE A 57 -23.123 23.352 -2.225 1.00 0.00 C ATOM 846 CG PHE A 57 -22.705 21.918 -2.067 1.00 0.00 C ATOM 847 CD1 PHE A 57 -23.063 20.970 -3.012 1.00 0.00 C ATOM 848 CD2 PHE A 57 -21.953 21.518 -0.974 1.00 0.00 C ATOM 849 CE1 PHE A 57 -22.680 19.650 -2.868 1.00 0.00 C ATOM 850 CE2 PHE A 57 -21.567 20.199 -0.825 1.00 0.00 C ATOM 851 CZ PHE A 57 -21.930 19.264 -1.774 1.00 0.00 C ATOM 0 H PHE A 57 -23.685 23.107 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.375 25.037 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -22.748 23.927 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -24.211 23.410 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -23.648 21.266 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.665 22.246 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.967 18.920 -3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -20.982 19.900 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.628 18.233 -1.661 1.00 0.00 H new ATOM 861 N PRO A 58 -20.242 23.534 -3.332 1.00 0.00 N ATOM 862 CA PRO A 58 -18.955 22.924 -3.677 1.00 0.00 C ATOM 863 C PRO A 58 -18.918 21.432 -3.363 1.00 0.00 C ATOM 864 O PRO A 58 -19.235 21.015 -2.250 1.00 0.00 O ATOM 865 CB PRO A 58 -17.956 23.680 -2.797 1.00 0.00 C ATOM 866 CG PRO A 58 -18.760 24.160 -1.639 1.00 0.00 C ATOM 867 CD PRO A 58 -20.136 24.441 -2.177 1.00 0.00 C ATOM 0 HA PRO A 58 -18.743 22.996 -4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.143 23.030 -2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.503 24.512 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.796 23.408 -0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.320 25.058 -1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.907 24.238 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.246 25.484 -2.474 1.00 0.00 H new ATOM 875 N GLN A 59 -18.528 20.633 -4.352 1.00 0.00 N ATOM 876 CA GLN A 59 -18.450 19.188 -4.179 1.00 0.00 C ATOM 877 C GLN A 59 -17.025 18.754 -3.853 1.00 0.00 C ATOM 878 O GLN A 59 -16.074 19.159 -4.523 1.00 0.00 O ATOM 879 CB GLN A 59 -18.936 18.475 -5.443 1.00 0.00 C ATOM 880 CG GLN A 59 -19.985 19.257 -6.217 1.00 0.00 C ATOM 881 CD GLN A 59 -21.388 19.031 -5.690 1.00 0.00 C ATOM 882 OE1 GLN A 59 -21.709 17.953 -5.189 1.00 0.00 O ATOM 883 NE2 GLN A 59 -22.234 20.049 -5.800 1.00 0.00 N ATOM 0 H GLN A 59 -18.262 20.962 -5.280 1.00 0.00 H new ATOM 0 HA GLN A 59 -19.094 18.913 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.083 18.285 -6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.348 17.505 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -19.750 20.320 -6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -19.945 18.970 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -21.926 20.925 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -23.192 19.955 -5.462 1.00 0.00 H new ATOM 892 N ILE A 60 -16.884 17.930 -2.821 1.00 0.00 N ATOM 893 CA ILE A 60 -15.575 17.441 -2.407 1.00 0.00 C ATOM 894 C ILE A 60 -15.492 15.923 -2.526 1.00 0.00 C ATOM 895 O ILE A 60 -15.976 15.194 -1.660 1.00 0.00 O ATOM 896 CB ILE A 60 -15.254 17.849 -0.957 1.00 0.00 C ATOM 897 CG1 ILE A 60 -15.273 19.373 -0.817 1.00 0.00 C ATOM 898 CG2 ILE A 60 -13.904 17.290 -0.536 1.00 0.00 C ATOM 899 CD1 ILE A 60 -14.180 20.065 -1.602 1.00 0.00 C ATOM 0 H ILE A 60 -17.661 17.587 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.843 17.896 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.018 17.433 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.241 19.748 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.174 19.634 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.691 17.587 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.924 16.202 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.128 17.680 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.254 21.143 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -13.207 19.718 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.291 19.834 -2.661 1.00 0.00 H new ATOM 911 N PHE A 61 -14.873 15.452 -3.603 1.00 0.00 N ATOM 912 CA PHE A 61 -14.725 14.020 -3.836 1.00 0.00 C ATOM 913 C PHE A 61 -13.338 13.542 -3.418 1.00 0.00 C ATOM 914 O PHE A 61 -12.324 14.030 -3.918 1.00 0.00 O ATOM 915 CB PHE A 61 -14.966 13.694 -5.311 1.00 0.00 C ATOM 916 CG PHE A 61 -16.214 14.318 -5.867 1.00 0.00 C ATOM 917 CD1 PHE A 61 -17.459 13.783 -5.580 1.00 0.00 C ATOM 918 CD2 PHE A 61 -16.141 15.440 -6.677 1.00 0.00 C ATOM 919 CE1 PHE A 61 -18.610 14.356 -6.090 1.00 0.00 C ATOM 920 CE2 PHE A 61 -17.288 16.017 -7.190 1.00 0.00 C ATOM 921 CZ PHE A 61 -18.524 15.474 -6.896 1.00 0.00 C ATOM 0 H PHE A 61 -14.465 16.041 -4.329 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.467 13.500 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -14.109 14.032 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -15.026 12.612 -5.431 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.532 12.908 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.177 15.869 -6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.575 13.930 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -17.218 16.891 -7.820 1.00 0.00 H new ATOM 0 HZ PHE A 61 -19.421 15.923 -7.296 1.00 0.00 H new ATOM 931 N ILE A 62 -13.302 12.584 -2.497 1.00 0.00 N ATOM 932 CA ILE A 62 -12.040 12.039 -2.012 1.00 0.00 C ATOM 933 C ILE A 62 -12.003 10.522 -2.161 1.00 0.00 C ATOM 934 O ILE A 62 -12.839 9.812 -1.604 1.00 0.00 O ATOM 935 CB ILE A 62 -11.800 12.404 -0.535 1.00 0.00 C ATOM 936 CG1 ILE A 62 -11.689 13.922 -0.374 1.00 0.00 C ATOM 937 CG2 ILE A 62 -10.544 11.718 -0.017 1.00 0.00 C ATOM 938 CD1 ILE A 62 -11.459 14.363 1.055 1.00 0.00 C ATOM 0 H ILE A 62 -14.132 12.170 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.251 12.481 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.649 12.056 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.870 14.286 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.602 14.386 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.388 11.986 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.658 10.637 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.685 12.039 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.390 15.450 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.290 14.029 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.531 13.928 1.425 1.00 0.00 H new ATOM 950 N GLY A 63 -11.025 10.031 -2.917 1.00 0.00 N ATOM 951 CA GLY A 63 -10.895 8.600 -3.124 1.00 0.00 C ATOM 952 C GLY A 63 -12.084 8.011 -3.857 1.00 0.00 C ATOM 953 O GLY A 63 -12.258 8.237 -5.054 1.00 0.00 O ATOM 0 H GLY A 63 -10.321 10.598 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.986 8.399 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.785 8.105 -2.159 1.00 0.00 H new ATOM 957 N SER A 64 -12.903 7.250 -3.137 1.00 0.00 N ATOM 958 CA SER A 64 -14.078 6.621 -3.728 1.00 0.00 C ATOM 959 C SER A 64 -15.347 7.044 -2.994 1.00 0.00 C ATOM 960 O SER A 64 -16.422 6.485 -3.215 1.00 0.00 O ATOM 961 CB SER A 64 -13.939 5.098 -3.694 1.00 0.00 C ATOM 962 OG SER A 64 -12.990 4.651 -4.647 1.00 0.00 O ATOM 0 H SER A 64 -12.774 7.055 -2.144 1.00 0.00 H new ATOM 0 HA SER A 64 -14.152 6.948 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.635 4.780 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.906 4.637 -3.895 1.00 0.00 H new ATOM 0 HG SER A 64 -12.918 3.675 -4.604 1.00 0.00 H new ATOM 968 N VAL A 65 -15.214 8.035 -2.118 1.00 0.00 N ATOM 969 CA VAL A 65 -16.349 8.534 -1.351 1.00 0.00 C ATOM 970 C VAL A 65 -16.547 10.030 -1.572 1.00 0.00 C ATOM 971 O VAL A 65 -15.594 10.758 -1.851 1.00 0.00 O ATOM 972 CB VAL A 65 -16.169 8.269 0.156 1.00 0.00 C ATOM 973 CG1 VAL A 65 -17.449 8.588 0.912 1.00 0.00 C ATOM 974 CG2 VAL A 65 -15.744 6.828 0.395 1.00 0.00 C ATOM 0 H VAL A 65 -14.332 8.508 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 65 -17.229 7.997 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.382 8.924 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -17.302 8.394 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -17.706 9.637 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.258 7.961 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.621 6.658 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.507 6.154 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.799 6.638 -0.113 1.00 0.00 H new ATOM 984 N HIS A 66 -17.790 10.482 -1.446 1.00 0.00 N ATOM 985 CA HIS A 66 -18.113 11.892 -1.631 1.00 0.00 C ATOM 986 C HIS A 66 -18.204 12.610 -0.288 1.00 0.00 C ATOM 987 O HIS A 66 -19.184 12.462 0.442 1.00 0.00 O ATOM 988 CB HIS A 66 -19.432 12.039 -2.391 1.00 0.00 C ATOM 989 CG HIS A 66 -19.871 13.461 -2.559 1.00 0.00 C ATOM 990 ND1 HIS A 66 -19.192 14.622 -2.403 1.00 0.00 N flip ATOM 991 CD2 HIS A 66 -21.151 13.815 -2.930 1.00 0.00 C flip ATOM 992 CE1 HIS A 66 -20.064 15.645 -2.681 1.00 0.00 C flip ATOM 993 NE2 HIS A 66 -21.240 15.132 -2.996 1.00 0.00 N flip ATOM 0 H HIS A 66 -18.590 9.893 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 66 -17.313 12.349 -2.214 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -19.328 11.581 -3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -20.210 11.487 -1.863 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -18.214 14.719 -2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -21.955 13.124 -3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -19.827 16.698 -2.648 1.00 0.00 H new ATOM 1001 N VAL A 67 -17.174 13.387 0.033 1.00 0.00 N ATOM 1002 CA VAL A 67 -17.138 14.128 1.288 1.00 0.00 C ATOM 1003 C VAL A 67 -18.336 15.062 1.411 1.00 0.00 C ATOM 1004 O VAL A 67 -19.270 14.795 2.166 1.00 0.00 O ATOM 1005 CB VAL A 67 -15.843 14.953 1.416 1.00 0.00 C ATOM 1006 CG1 VAL A 67 -15.855 15.771 2.698 1.00 0.00 C ATOM 1007 CG2 VAL A 67 -14.625 14.043 1.365 1.00 0.00 C ATOM 0 H VAL A 67 -16.354 13.519 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 67 -17.172 13.391 2.091 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.788 15.643 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -14.932 16.347 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.707 16.451 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -15.934 15.103 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.719 14.642 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.671 13.327 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.611 13.507 0.416 1.00 0.00 H new ATOM 1017 N GLY A 68 -18.304 16.159 0.660 1.00 0.00 N ATOM 1018 CA GLY A 68 -19.394 17.117 0.699 1.00 0.00 C ATOM 1019 C GLY A 68 -19.005 18.462 0.118 1.00 0.00 C ATOM 1020 O GLY A 68 -18.898 18.613 -1.098 1.00 0.00 O ATOM 0 H GLY A 68 -17.543 16.401 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.244 16.718 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -19.719 17.251 1.731 1.00 0.00 H new ATOM 1024 N GLY A 69 -18.794 19.443 0.990 1.00 0.00 N ATOM 1025 CA GLY A 69 -18.418 20.769 0.538 1.00 0.00 C ATOM 1026 C GLY A 69 -17.713 21.571 1.614 1.00 0.00 C ATOM 1027 O GLY A 69 -16.908 21.030 2.373 1.00 0.00 O ATOM 0 H GLY A 69 -18.877 19.343 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.766 20.682 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.310 21.306 0.215 1.00 0.00 H new ATOM 1031 N CYS A 70 -18.014 22.863 1.679 1.00 0.00 N ATOM 1032 CA CYS A 70 -17.401 23.742 2.669 1.00 0.00 C ATOM 1033 C CYS A 70 -17.772 23.309 4.084 1.00 0.00 C ATOM 1034 O CYS A 70 -16.929 23.299 4.982 1.00 0.00 O ATOM 1035 CB CYS A 70 -17.835 25.189 2.435 1.00 0.00 C ATOM 1036 SG CYS A 70 -17.169 26.363 3.638 1.00 0.00 S ATOM 0 H CYS A 70 -18.678 23.325 1.058 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.319 23.673 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -17.524 25.493 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -18.924 25.239 2.459 1.00 0.00 H new ATOM 0 HG CYS A 70 -16.057 25.899 4.127 1.00 0.00 H new ATOM 1042 N ASP A 71 -19.038 22.955 4.276 1.00 0.00 N ATOM 1043 CA ASP A 71 -19.521 22.522 5.582 1.00 0.00 C ATOM 1044 C ASP A 71 -18.805 21.253 6.033 1.00 0.00 C ATOM 1045 O ASP A 71 -18.312 21.173 7.159 1.00 0.00 O ATOM 1046 CB ASP A 71 -21.031 22.282 5.537 1.00 0.00 C ATOM 1047 CG ASP A 71 -21.826 23.543 5.813 1.00 0.00 C ATOM 1048 OD1 ASP A 71 -21.508 24.241 6.798 1.00 0.00 O ATOM 1049 OD2 ASP A 71 -22.767 23.831 5.044 1.00 0.00 O ATOM 0 H ASP A 71 -19.748 22.959 3.544 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.308 23.313 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.305 21.891 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.297 21.521 6.270 1.00 0.00 H new ATOM 1054 N ASP A 72 -18.751 20.264 5.148 1.00 0.00 N ATOM 1055 CA ASP A 72 -18.095 18.998 5.456 1.00 0.00 C ATOM 1056 C ASP A 72 -16.592 19.193 5.629 1.00 0.00 C ATOM 1057 O ASP A 72 -15.983 18.629 6.538 1.00 0.00 O ATOM 1058 CB ASP A 72 -18.366 17.977 4.349 1.00 0.00 C ATOM 1059 CG ASP A 72 -19.843 17.683 4.181 1.00 0.00 C ATOM 1060 OD1 ASP A 72 -20.590 18.605 3.791 1.00 0.00 O ATOM 1061 OD2 ASP A 72 -20.253 16.532 4.441 1.00 0.00 O ATOM 0 H ASP A 72 -19.153 20.314 4.212 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.504 18.623 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -17.964 18.351 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -17.838 17.051 4.576 1.00 0.00 H new ATOM 1066 N LEU A 73 -16.000 19.994 4.750 1.00 0.00 N ATOM 1067 CA LEU A 73 -14.567 20.262 4.804 1.00 0.00 C ATOM 1068 C LEU A 73 -14.201 21.008 6.084 1.00 0.00 C ATOM 1069 O LEU A 73 -13.132 20.792 6.656 1.00 0.00 O ATOM 1070 CB LEU A 73 -14.134 21.077 3.584 1.00 0.00 C ATOM 1071 CG LEU A 73 -12.640 21.056 3.258 1.00 0.00 C ATOM 1072 CD1 LEU A 73 -12.238 19.706 2.685 1.00 0.00 C ATOM 1073 CD2 LEU A 73 -12.290 22.175 2.289 1.00 0.00 C ATOM 0 H LEU A 73 -16.490 20.469 3.992 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.043 19.306 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.680 20.710 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.437 22.113 3.738 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.084 21.216 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.172 19.710 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.452 18.923 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.802 19.516 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.223 22.145 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.855 22.047 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.541 23.136 2.737 1.00 0.00 H new ATOM 1085 N TYR A 74 -15.095 21.884 6.528 1.00 0.00 N ATOM 1086 CA TYR A 74 -14.866 22.662 7.740 1.00 0.00 C ATOM 1087 C TYR A 74 -15.045 21.797 8.984 1.00 0.00 C ATOM 1088 O TYR A 74 -14.313 21.939 9.963 1.00 0.00 O ATOM 1089 CB TYR A 74 -15.822 23.855 7.793 1.00 0.00 C ATOM 1090 CG TYR A 74 -15.286 25.091 7.107 1.00 0.00 C ATOM 1091 CD1 TYR A 74 -14.654 25.005 5.873 1.00 0.00 C ATOM 1092 CD2 TYR A 74 -15.410 26.345 7.693 1.00 0.00 C ATOM 1093 CE1 TYR A 74 -14.162 26.131 5.242 1.00 0.00 C ATOM 1094 CE2 TYR A 74 -14.923 27.476 7.069 1.00 0.00 C ATOM 1095 CZ TYR A 74 -14.299 27.365 5.844 1.00 0.00 C ATOM 1096 OH TYR A 74 -13.811 28.490 5.220 1.00 0.00 O ATOM 0 H TYR A 74 -15.985 22.073 6.067 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.839 23.028 7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -16.767 23.573 7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -16.036 24.092 8.835 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -14.545 24.041 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -15.896 26.436 8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.673 26.046 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -15.030 28.443 7.538 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.990 29.276 5.777 1.00 0.00 H new ATOM 1106 N ALA A 75 -16.023 20.899 8.937 1.00 0.00 N ATOM 1107 CA ALA A 75 -16.298 20.008 10.057 1.00 0.00 C ATOM 1108 C ALA A 75 -15.259 18.895 10.141 1.00 0.00 C ATOM 1109 O ALA A 75 -14.943 18.407 11.227 1.00 0.00 O ATOM 1110 CB ALA A 75 -17.695 19.420 9.934 1.00 0.00 C ATOM 0 H ALA A 75 -16.639 20.769 8.134 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.242 20.592 10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.886 18.757 10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.430 20.225 9.932 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.772 18.856 9.004 1.00 0.00 H new ATOM 1116 N LEU A 76 -14.731 18.497 8.989 1.00 0.00 N ATOM 1117 CA LEU A 76 -13.728 17.439 8.931 1.00 0.00 C ATOM 1118 C LEU A 76 -12.352 17.973 9.317 1.00 0.00 C ATOM 1119 O LEU A 76 -11.659 17.386 10.147 1.00 0.00 O ATOM 1120 CB LEU A 76 -13.677 16.833 7.528 1.00 0.00 C ATOM 1121 CG LEU A 76 -14.684 15.719 7.241 1.00 0.00 C ATOM 1122 CD1 LEU A 76 -14.053 14.355 7.477 1.00 0.00 C ATOM 1123 CD2 LEU A 76 -15.927 15.889 8.102 1.00 0.00 C ATOM 0 H LEU A 76 -14.981 18.891 8.082 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.011 16.664 9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.833 17.632 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.674 16.441 7.360 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.980 15.784 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.785 13.575 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -13.193 14.233 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.728 14.279 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.633 15.087 7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.648 15.851 9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.392 16.851 7.884 1.00 0.00 H new ATOM 1135 N GLU A 77 -11.965 19.091 8.711 1.00 0.00 N ATOM 1136 CA GLU A 77 -10.672 19.704 8.993 1.00 0.00 C ATOM 1137 C GLU A 77 -10.507 19.962 10.488 1.00 0.00 C ATOM 1138 O GLU A 77 -9.396 19.918 11.017 1.00 0.00 O ATOM 1139 CB GLU A 77 -10.525 21.016 8.219 1.00 0.00 C ATOM 1140 CG GLU A 77 -11.264 22.183 8.853 1.00 0.00 C ATOM 1141 CD GLU A 77 -10.404 22.952 9.836 1.00 0.00 C ATOM 1142 OE1 GLU A 77 -9.276 22.497 10.120 1.00 0.00 O ATOM 1143 OE2 GLU A 77 -10.858 24.009 10.322 1.00 0.00 O ATOM 0 H GLU A 77 -12.528 19.590 8.022 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.893 19.012 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.467 21.266 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.894 20.872 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.608 22.859 8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.151 21.811 9.365 1.00 0.00 H new ATOM 1150 N ASP A 78 -11.619 20.231 11.162 1.00 0.00 N ATOM 1151 CA ASP A 78 -11.599 20.495 12.596 1.00 0.00 C ATOM 1152 C ASP A 78 -11.295 19.222 13.379 1.00 0.00 C ATOM 1153 O ASP A 78 -10.767 19.276 14.489 1.00 0.00 O ATOM 1154 CB ASP A 78 -12.938 21.080 13.048 1.00 0.00 C ATOM 1155 CG ASP A 78 -12.784 22.069 14.186 1.00 0.00 C ATOM 1156 OD1 ASP A 78 -12.571 23.267 13.906 1.00 0.00 O ATOM 1157 OD2 ASP A 78 -12.875 21.645 15.358 1.00 0.00 O ATOM 0 H ASP A 78 -12.546 20.272 10.739 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.810 21.220 12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.419 21.574 12.204 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.598 20.271 13.361 1.00 0.00 H new ATOM 1162 N GLU A 79 -11.635 18.078 12.794 1.00 0.00 N ATOM 1163 CA GLU A 79 -11.401 16.791 13.438 1.00 0.00 C ATOM 1164 C GLU A 79 -10.028 16.238 13.066 1.00 0.00 C ATOM 1165 O GLU A 79 -9.607 15.199 13.572 1.00 0.00 O ATOM 1166 CB GLU A 79 -12.490 15.791 13.043 1.00 0.00 C ATOM 1167 CG GLU A 79 -13.895 16.255 13.386 1.00 0.00 C ATOM 1168 CD GLU A 79 -14.725 15.167 14.039 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -14.269 14.604 15.057 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -15.830 14.878 13.534 1.00 0.00 O ATOM 0 H GLU A 79 -12.073 18.016 11.875 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.432 16.943 14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.429 15.605 11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.298 14.841 13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.837 17.114 14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.394 16.592 12.478 1.00 0.00 H new ATOM 1177 N GLY A 80 -9.334 16.942 12.177 1.00 0.00 N ATOM 1178 CA GLY A 80 -8.017 16.507 11.751 1.00 0.00 C ATOM 1179 C GLY A 80 -8.035 15.122 11.134 1.00 0.00 C ATOM 1180 O GLY A 80 -7.024 14.420 11.136 1.00 0.00 O ATOM 0 H GLY A 80 -9.661 17.806 11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.619 17.219 11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.342 16.511 12.607 1.00 0.00 H new ATOM 1184 N LYS A 81 -9.188 14.727 10.605 1.00 0.00 N ATOM 1185 CA LYS A 81 -9.336 13.417 9.982 1.00 0.00 C ATOM 1186 C LYS A 81 -9.095 13.500 8.478 1.00 0.00 C ATOM 1187 O LYS A 81 -8.824 12.491 7.826 1.00 0.00 O ATOM 1188 CB LYS A 81 -10.732 12.854 10.255 1.00 0.00 C ATOM 1189 CG LYS A 81 -11.140 12.921 11.717 1.00 0.00 C ATOM 1190 CD LYS A 81 -11.297 11.533 12.316 1.00 0.00 C ATOM 1191 CE LYS A 81 -12.401 10.749 11.623 1.00 0.00 C ATOM 1192 NZ LYS A 81 -12.716 9.482 12.340 1.00 0.00 N ATOM 0 H LYS A 81 -10.034 15.296 10.595 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.591 12.750 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.459 13.404 9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.767 11.816 9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.391 13.479 12.280 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.079 13.466 11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.356 10.990 12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.522 11.618 13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.299 11.364 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.099 10.522 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.473 8.977 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.866 8.884 12.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.029 9.699 13.308 1.00 0.00 H new ATOM 1206 N LEU A 82 -9.194 14.707 7.933 1.00 0.00 N ATOM 1207 CA LEU A 82 -8.985 14.922 6.505 1.00 0.00 C ATOM 1208 C LEU A 82 -7.674 14.293 6.046 1.00 0.00 C ATOM 1209 O LEU A 82 -7.583 13.762 4.940 1.00 0.00 O ATOM 1210 CB LEU A 82 -8.985 16.419 6.190 1.00 0.00 C ATOM 1211 CG LEU A 82 -10.351 17.105 6.188 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -10.204 18.586 5.872 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -11.284 16.435 5.190 1.00 0.00 C ATOM 0 H LEU A 82 -9.418 15.552 8.458 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.803 14.444 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.349 16.923 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.527 16.564 5.212 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.786 17.008 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.187 19.058 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.573 19.058 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.747 18.705 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.251 16.937 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.855 16.500 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.415 15.387 5.461 1.00 0.00 H new ATOM 1225 N ASP A 83 -6.662 14.356 6.904 1.00 0.00 N ATOM 1226 CA ASP A 83 -5.355 13.790 6.589 1.00 0.00 C ATOM 1227 C ASP A 83 -5.479 12.317 6.208 1.00 0.00 C ATOM 1228 O ASP A 83 -4.831 11.852 5.271 1.00 0.00 O ATOM 1229 CB ASP A 83 -4.408 13.944 7.779 1.00 0.00 C ATOM 1230 CG ASP A 83 -3.395 15.054 7.573 1.00 0.00 C ATOM 1231 OD1 ASP A 83 -2.752 15.078 6.503 1.00 0.00 O ATOM 1232 OD2 ASP A 83 -3.245 15.897 8.482 1.00 0.00 O ATOM 0 H ASP A 83 -6.721 14.793 7.824 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.946 14.334 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.989 14.149 8.678 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.883 13.003 7.946 1.00 0.00 H new ATOM 1237 N SER A 84 -6.314 11.590 6.943 1.00 0.00 N ATOM 1238 CA SER A 84 -6.519 10.169 6.686 1.00 0.00 C ATOM 1239 C SER A 84 -7.482 9.961 5.521 1.00 0.00 C ATOM 1240 O SER A 84 -7.384 8.975 4.788 1.00 0.00 O ATOM 1241 CB SER A 84 -7.059 9.476 7.938 1.00 0.00 C ATOM 1242 OG SER A 84 -6.002 9.050 8.781 1.00 0.00 O ATOM 0 H SER A 84 -6.859 11.961 7.721 1.00 0.00 H new ATOM 0 HA SER A 84 -5.557 9.730 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.710 10.159 8.483 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.666 8.618 7.649 1.00 0.00 H new ATOM 0 HG SER A 84 -6.373 8.612 9.575 1.00 0.00 H new ATOM 1248 N LEU A 85 -8.411 10.896 5.355 1.00 0.00 N ATOM 1249 CA LEU A 85 -9.392 10.817 4.279 1.00 0.00 C ATOM 1250 C LEU A 85 -8.718 10.939 2.916 1.00 0.00 C ATOM 1251 O LEU A 85 -9.065 10.226 1.973 1.00 0.00 O ATOM 1252 CB LEU A 85 -10.444 11.915 4.439 1.00 0.00 C ATOM 1253 CG LEU A 85 -11.765 11.491 5.083 1.00 0.00 C ATOM 1254 CD1 LEU A 85 -12.452 10.427 4.240 1.00 0.00 C ATOM 1255 CD2 LEU A 85 -11.530 10.983 6.498 1.00 0.00 C ATOM 0 H LEU A 85 -8.505 11.718 5.952 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.879 9.844 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.013 12.719 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.660 12.330 3.454 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.418 12.362 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.390 10.137 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.655 10.825 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.804 9.555 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.481 10.686 6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.859 10.125 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.082 11.774 7.099 1.00 0.00 H new ATOM 1267 N LEU A 86 -7.750 11.844 2.820 1.00 0.00 N ATOM 1268 CA LEU A 86 -7.024 12.058 1.573 1.00 0.00 C ATOM 1269 C LEU A 86 -5.903 11.036 1.413 1.00 0.00 C ATOM 1270 O LEU A 86 -5.466 10.746 0.299 1.00 0.00 O ATOM 1271 CB LEU A 86 -6.448 13.475 1.532 1.00 0.00 C ATOM 1272 CG LEU A 86 -5.544 13.866 2.702 1.00 0.00 C ATOM 1273 CD1 LEU A 86 -4.081 13.669 2.335 1.00 0.00 C ATOM 1274 CD2 LEU A 86 -5.802 15.307 3.117 1.00 0.00 C ATOM 0 H LEU A 86 -7.450 12.441 3.591 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.725 11.933 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.882 13.589 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.277 14.181 1.487 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.776 13.218 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.453 13.952 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.906 12.622 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.835 14.291 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.150 15.568 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.598 15.970 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.843 15.417 3.422 1.00 0.00 H new ATOM 1286 N LYS A 87 -5.442 10.491 2.534 1.00 0.00 N ATOM 1287 CA LYS A 87 -4.375 9.498 2.520 1.00 0.00 C ATOM 1288 C LYS A 87 -4.912 8.127 2.123 1.00 0.00 C ATOM 1289 O LYS A 87 -4.341 7.447 1.270 1.00 0.00 O ATOM 1290 CB LYS A 87 -3.707 9.418 3.895 1.00 0.00 C ATOM 1291 CG LYS A 87 -2.513 10.344 4.046 1.00 0.00 C ATOM 1292 CD LYS A 87 -1.654 9.957 5.238 1.00 0.00 C ATOM 1293 CE LYS A 87 -2.094 10.681 6.501 1.00 0.00 C ATOM 1294 NZ LYS A 87 -1.507 12.046 6.592 1.00 0.00 N ATOM 0 H LYS A 87 -5.791 10.721 3.464 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.636 9.806 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.443 9.660 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.385 8.392 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.911 10.314 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.860 11.370 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.713 8.880 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.611 10.192 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.182 10.752 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.798 10.100 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.044 12.164 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.806 12.174 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.260 12.755 6.489 1.00 0.00 H new ATOM 1308 N THR A 88 -6.016 7.726 2.747 1.00 0.00 N ATOM 1309 CA THR A 88 -6.631 6.436 2.459 1.00 0.00 C ATOM 1310 C THR A 88 -7.640 6.550 1.322 1.00 0.00 C ATOM 1311 O THR A 88 -7.738 5.663 0.475 1.00 0.00 O ATOM 1312 CB THR A 88 -7.336 5.860 3.701 1.00 0.00 C ATOM 1313 OG1 THR A 88 -8.547 6.581 3.954 1.00 0.00 O ATOM 1314 CG2 THR A 88 -6.431 5.935 4.921 1.00 0.00 C ATOM 0 H THR A 88 -6.502 8.276 3.455 1.00 0.00 H new ATOM 0 HA THR A 88 -5.828 5.762 2.162 1.00 0.00 H new ATOM 0 HB THR A 88 -7.570 4.813 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.331 7.483 4.270 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.951 5.522 5.786 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.523 5.362 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.170 6.975 5.117 1.00 0.00 H new ATOM 1322 N GLY A 89 -8.389 7.649 1.309 1.00 0.00 N ATOM 1323 CA GLY A 89 -9.381 7.858 0.271 1.00 0.00 C ATOM 1324 C GLY A 89 -10.718 7.232 0.612 1.00 0.00 C ATOM 1325 O GLY A 89 -11.550 7.006 -0.268 1.00 0.00 O ATOM 0 H GLY A 89 -8.326 8.398 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.515 8.928 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.015 7.438 -0.666 1.00 0.00 H new ATOM 1329 N LYS A 90 -10.928 6.949 1.893 1.00 0.00 N ATOM 1330 CA LYS A 90 -12.173 6.344 2.350 1.00 0.00 C ATOM 1331 C LYS A 90 -12.582 6.901 3.710 1.00 0.00 C ATOM 1332 O LYS A 90 -11.733 7.180 4.559 1.00 0.00 O ATOM 1333 CB LYS A 90 -12.026 4.823 2.433 1.00 0.00 C ATOM 1334 CG LYS A 90 -11.939 4.145 1.077 1.00 0.00 C ATOM 1335 CD LYS A 90 -10.500 4.025 0.604 1.00 0.00 C ATOM 1336 CE LYS A 90 -9.865 2.727 1.078 1.00 0.00 C ATOM 1337 NZ LYS A 90 -10.246 1.575 0.216 1.00 0.00 N ATOM 0 H LYS A 90 -10.251 7.129 2.634 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.952 6.588 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.131 4.584 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.875 4.414 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.387 3.153 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.516 4.713 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.469 4.071 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.922 4.871 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.780 2.834 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.170 2.528 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.793 0.710 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.279 1.456 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.933 1.753 -0.760 1.00 0.00 H new ATOM 1351 N LEU A 91 -13.885 7.060 3.912 1.00 0.00 N ATOM 1352 CA LEU A 91 -14.406 7.582 5.171 1.00 0.00 C ATOM 1353 C LEU A 91 -14.086 6.638 6.326 1.00 0.00 C ATOM 1354 O LEU A 91 -14.269 5.425 6.218 1.00 0.00 O ATOM 1355 CB LEU A 91 -15.918 7.791 5.072 1.00 0.00 C ATOM 1356 CG LEU A 91 -16.783 6.547 5.279 1.00 0.00 C ATOM 1357 CD1 LEU A 91 -18.258 6.917 5.280 1.00 0.00 C ATOM 1358 CD2 LEU A 91 -16.491 5.510 4.205 1.00 0.00 C ATOM 0 H LEU A 91 -14.600 6.835 3.221 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.925 8.540 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.210 8.539 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.144 8.206 4.090 1.00 0.00 H new ATOM 0 HG LEU A 91 -16.538 6.114 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -18.858 6.019 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -18.455 7.623 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -18.519 7.374 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.115 4.632 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -16.707 5.932 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.441 5.222 4.253 1.00 0.00 H new ATOM 1370 N ILE A 92 -13.610 7.203 7.430 1.00 0.00 N ATOM 1371 CA ILE A 92 -13.269 6.413 8.606 1.00 0.00 C ATOM 1372 C ILE A 92 -14.109 6.826 9.810 1.00 0.00 C ATOM 1373 O ILE A 92 -14.900 7.767 9.735 1.00 0.00 O ATOM 1374 CB ILE A 92 -11.777 6.551 8.964 1.00 0.00 C ATOM 1375 CG1 ILE A 92 -11.376 8.027 9.010 1.00 0.00 C ATOM 1376 CG2 ILE A 92 -10.920 5.794 7.960 1.00 0.00 C ATOM 1377 CD1 ILE A 92 -10.049 8.271 9.693 1.00 0.00 C ATOM 0 H ILE A 92 -13.452 8.205 7.535 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.481 5.373 8.358 1.00 0.00 H new ATOM 0 HB ILE A 92 -11.613 6.119 9.951 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -11.328 8.414 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -12.152 8.590 9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.868 5.901 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.192 4.739 7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.085 6.200 6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.829 9.338 9.689 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.098 7.915 10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.262 7.736 9.161 1.00 0.00 H new TER 1389 ILE A 92