USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -161:sc= 1.32 USER MOD Set 1.2: A 109 HIS :FLIP no HE2:sc= -2.35 F(o=-2.4,f=-1) USER MOD Set 2.1: A 69 THR OG1 : rot -76:sc= 1.19 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.00488 USER MOD Set 3.1: A 19 SER OG : rot 170:sc= -2.14 USER MOD Set 3.2: A 40 MET CE :methyl -143:sc= -3.64 (180deg=-3.12!) USER MOD Single : A 1 SER N :NH3+ -143:sc= 0.154 (180deg=0.00733) USER MOD Single : A 1 SER OG : rot 180:sc= 0.105 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.0474 F(o=-0.74,f=-0.047) USER MOD Single : A 15 ASN : amide:sc= -0.781 K(o=-0.78,f=-2.2!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.975 USER MOD Single : A 25 SER OG : rot -176:sc= 0.535 USER MOD Single : A 26 THR OG1 : rot -17:sc= 1.06 USER MOD Single : A 28 THR OG1 : rot -106:sc= -0.0366 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 135:sc= -0.0529 (180deg=-0.595) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -6.62! C(o=-6.6!,f=-7.2!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.5!) USER MOD Single : A 90 GLN : amide:sc= -0.61 X(o=-0.61,f=-0.49) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 170:sc= 0.0192 USER MOD Single : A 104 ASN : amide:sc= -3.7 K(o=-3.7,f=-6.5!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.061 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.847 7.842 6.853 1.00 0.00 N ATOM 2 CA SER A 1 -22.675 6.950 6.626 1.00 0.00 C ATOM 3 C SER A 1 -21.436 7.796 6.328 1.00 0.00 C ATOM 4 O SER A 1 -21.514 8.793 5.630 1.00 0.00 O ATOM 5 CB SER A 1 -22.959 6.028 5.441 1.00 0.00 C ATOM 6 OG SER A 1 -23.517 6.790 4.378 1.00 0.00 O ATOM 0 H1 SER A 1 -24.448 7.442 7.601 1.00 0.00 H new ATOM 0 H2 SER A 1 -23.515 8.784 7.142 1.00 0.00 H new ATOM 0 H3 SER A 1 -24.397 7.923 5.974 1.00 0.00 H new ATOM 0 HA SER A 1 -22.498 6.351 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 1 -22.039 5.544 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 1 -23.648 5.237 5.738 1.00 0.00 H new ATOM 0 HG SER A 1 -23.699 6.203 3.615 1.00 0.00 H new ATOM 14 N VAL A 2 -20.298 7.393 6.853 1.00 0.00 N ATOM 15 CA VAL A 2 -19.023 8.149 6.617 1.00 0.00 C ATOM 16 C VAL A 2 -17.831 7.178 6.665 1.00 0.00 C ATOM 17 O VAL A 2 -17.439 6.641 5.641 1.00 0.00 O ATOM 18 CB VAL A 2 -18.834 9.277 7.661 1.00 0.00 C ATOM 19 CG1 VAL A 2 -19.422 10.585 7.114 1.00 0.00 C ATOM 20 CG2 VAL A 2 -19.520 8.923 8.994 1.00 0.00 C ATOM 0 H VAL A 2 -20.199 6.565 7.440 1.00 0.00 H new ATOM 0 HA VAL A 2 -19.077 8.613 5.632 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.767 9.396 7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.289 11.379 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.910 10.856 6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.485 10.450 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.370 9.734 9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.588 8.780 8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.089 8.005 9.393 1.00 0.00 H new ATOM 30 N GLY A 3 -17.258 6.950 7.835 1.00 0.00 N ATOM 31 CA GLY A 3 -16.093 6.017 7.954 1.00 0.00 C ATOM 32 C GLY A 3 -16.529 4.748 8.687 1.00 0.00 C ATOM 33 O GLY A 3 -16.432 4.665 9.901 1.00 0.00 O ATOM 0 H GLY A 3 -17.555 7.376 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -15.712 5.765 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -15.280 6.501 8.495 1.00 0.00 H new ATOM 37 N THR A 4 -17.006 3.766 7.951 1.00 0.00 N ATOM 38 CA THR A 4 -17.458 2.484 8.575 1.00 0.00 C ATOM 39 C THR A 4 -17.903 1.507 7.471 1.00 0.00 C ATOM 40 O THR A 4 -19.081 1.200 7.324 1.00 0.00 O ATOM 41 CB THR A 4 -18.618 2.774 9.541 1.00 0.00 C ATOM 42 OG1 THR A 4 -19.070 1.555 10.112 1.00 0.00 O ATOM 43 CG2 THR A 4 -19.771 3.446 8.788 1.00 0.00 C ATOM 0 H THR A 4 -17.101 3.803 6.936 1.00 0.00 H new ATOM 0 HA THR A 4 -16.639 2.030 9.133 1.00 0.00 H new ATOM 0 HB THR A 4 -18.271 3.442 10.329 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.809 1.737 10.730 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.589 3.648 9.480 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.424 4.383 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.122 2.786 7.995 1.00 0.00 H new ATOM 51 N SER A 5 -16.958 1.020 6.692 1.00 0.00 N ATOM 52 CA SER A 5 -17.284 0.063 5.589 1.00 0.00 C ATOM 53 C SER A 5 -16.416 -1.192 5.732 1.00 0.00 C ATOM 54 O SER A 5 -15.427 -1.184 6.446 1.00 0.00 O ATOM 55 CB SER A 5 -17.004 0.727 4.241 1.00 0.00 C ATOM 56 OG SER A 5 -17.734 0.052 3.226 1.00 0.00 O ATOM 0 H SER A 5 -15.968 1.250 6.778 1.00 0.00 H new ATOM 0 HA SER A 5 -18.337 -0.215 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.291 1.778 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.937 0.694 4.021 1.00 0.00 H new ATOM 0 HG SER A 5 -17.559 0.476 2.360 1.00 0.00 H new ATOM 62 N CYS A 6 -16.783 -2.269 5.058 1.00 0.00 N ATOM 63 CA CYS A 6 -15.994 -3.548 5.138 1.00 0.00 C ATOM 64 C CYS A 6 -15.794 -3.940 6.611 1.00 0.00 C ATOM 65 O CYS A 6 -16.412 -3.367 7.494 1.00 0.00 O ATOM 66 CB CYS A 6 -14.625 -3.367 4.465 1.00 0.00 C ATOM 67 SG CYS A 6 -14.798 -2.378 2.951 1.00 0.00 S ATOM 0 H CYS A 6 -17.602 -2.313 4.452 1.00 0.00 H new ATOM 0 HA CYS A 6 -16.543 -4.336 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -13.936 -2.876 5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -14.197 -4.341 4.226 1.00 0.00 H new ATOM 72 N ILE A 7 -14.939 -4.909 6.873 1.00 0.00 N ATOM 73 CA ILE A 7 -14.688 -5.352 8.283 1.00 0.00 C ATOM 74 C ILE A 7 -13.180 -5.692 8.444 1.00 0.00 C ATOM 75 O ILE A 7 -12.663 -6.462 7.654 1.00 0.00 O ATOM 76 CB ILE A 7 -15.588 -6.576 8.571 1.00 0.00 C ATOM 77 CG1 ILE A 7 -15.693 -6.813 10.093 1.00 0.00 C ATOM 78 CG2 ILE A 7 -15.069 -7.834 7.854 1.00 0.00 C ATOM 79 CD1 ILE A 7 -14.378 -7.348 10.676 1.00 0.00 C ATOM 0 H ILE A 7 -14.404 -5.412 6.165 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.931 -4.566 8.998 1.00 0.00 H new ATOM 0 HB ILE A 7 -16.584 -6.366 8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.958 -5.879 10.589 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -16.496 -7.521 10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -15.724 -8.676 8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -15.055 -7.660 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.059 -8.058 8.198 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -14.492 -7.502 11.749 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -14.127 -8.295 10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -13.580 -6.628 10.495 1.00 0.00 H new ATOM 91 N PRO A 8 -12.499 -5.106 9.439 1.00 0.00 N ATOM 92 CA PRO A 8 -11.051 -5.356 9.651 1.00 0.00 C ATOM 93 C PRO A 8 -10.813 -6.729 10.303 1.00 0.00 C ATOM 94 O PRO A 8 -11.688 -7.263 10.960 1.00 0.00 O ATOM 95 CB PRO A 8 -10.618 -4.229 10.593 1.00 0.00 C ATOM 96 CG PRO A 8 -11.896 -3.747 11.314 1.00 0.00 C ATOM 97 CD PRO A 8 -13.085 -4.164 10.431 1.00 0.00 C ATOM 0 HA PRO A 8 -10.490 -5.368 8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.879 -4.585 11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.155 -3.414 10.036 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.974 -4.195 12.305 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.878 -2.666 11.453 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.868 -4.643 11.019 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.537 -3.302 9.941 1.00 0.00 H new ATOM 105 N GLY A 9 -9.629 -7.298 10.127 1.00 0.00 N ATOM 106 CA GLY A 9 -9.318 -8.635 10.731 1.00 0.00 C ATOM 107 C GLY A 9 -9.846 -9.775 9.834 1.00 0.00 C ATOM 108 O GLY A 9 -9.592 -10.938 10.107 1.00 0.00 O ATOM 0 H GLY A 9 -8.868 -6.886 9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.241 -8.738 10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.769 -8.706 11.721 1.00 0.00 H new ATOM 112 N MET A 10 -10.569 -9.454 8.771 1.00 0.00 N ATOM 113 CA MET A 10 -11.111 -10.506 7.847 1.00 0.00 C ATOM 114 C MET A 10 -10.897 -10.029 6.388 1.00 0.00 C ATOM 115 O MET A 10 -11.511 -9.055 5.996 1.00 0.00 O ATOM 116 CB MET A 10 -12.612 -10.678 8.100 1.00 0.00 C ATOM 117 CG MET A 10 -12.866 -10.941 9.588 1.00 0.00 C ATOM 118 SD MET A 10 -13.954 -12.377 9.766 1.00 0.00 S ATOM 119 CE MET A 10 -12.686 -13.644 9.518 1.00 0.00 C ATOM 0 H MET A 10 -10.805 -8.497 8.508 1.00 0.00 H new ATOM 0 HA MET A 10 -10.602 -11.455 8.017 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.147 -9.783 7.784 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.997 -11.506 7.505 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.922 -11.119 10.104 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.322 -10.066 10.051 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.141 -14.632 9.587 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.235 -13.520 8.533 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.917 -13.544 10.284 1.00 0.00 H new ATOM 129 N ALA A 11 -10.027 -10.677 5.593 1.00 0.00 N ATOM 130 CA ALA A 11 -9.747 -10.239 4.171 1.00 0.00 C ATOM 131 C ALA A 11 -8.646 -9.175 4.207 1.00 0.00 C ATOM 132 O ALA A 11 -7.596 -9.344 3.609 1.00 0.00 O ATOM 133 CB ALA A 11 -10.997 -9.677 3.473 1.00 0.00 C ATOM 0 H ALA A 11 -9.500 -11.499 5.886 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.432 -11.110 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.742 -9.377 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.772 -10.443 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.364 -8.812 4.025 1.00 0.00 H new ATOM 139 N ILE A 12 -8.872 -8.101 4.936 1.00 0.00 N ATOM 140 CA ILE A 12 -7.849 -7.023 5.073 1.00 0.00 C ATOM 141 C ILE A 12 -7.269 -7.134 6.500 1.00 0.00 C ATOM 142 O ILE A 12 -7.929 -6.714 7.438 1.00 0.00 O ATOM 143 CB ILE A 12 -8.515 -5.650 4.891 1.00 0.00 C ATOM 144 CG1 ILE A 12 -9.370 -5.653 3.616 1.00 0.00 C ATOM 145 CG2 ILE A 12 -7.439 -4.562 4.786 1.00 0.00 C ATOM 146 CD1 ILE A 12 -10.234 -4.388 3.563 1.00 0.00 C ATOM 0 H ILE A 12 -9.738 -7.930 5.447 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.066 -7.127 4.321 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.152 -5.445 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.727 -5.702 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.005 -6.539 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.916 -3.590 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.839 -4.554 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.796 -4.767 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.838 -4.397 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.889 -4.358 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.591 -3.508 3.562 1.00 0.00 H new ATOM 158 N PRO A 13 -6.089 -7.739 6.661 1.00 0.00 N ATOM 159 CA PRO A 13 -5.504 -7.937 7.999 1.00 0.00 C ATOM 160 C PRO A 13 -4.786 -6.685 8.488 1.00 0.00 C ATOM 161 O PRO A 13 -4.633 -5.717 7.761 1.00 0.00 O ATOM 162 CB PRO A 13 -4.524 -9.095 7.805 1.00 0.00 C ATOM 163 CG PRO A 13 -4.181 -9.137 6.296 1.00 0.00 C ATOM 164 CD PRO A 13 -5.228 -8.266 5.569 1.00 0.00 C ATOM 0 HA PRO A 13 -6.261 -8.147 8.755 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.625 -8.946 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.968 -10.037 8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.175 -8.758 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.206 -10.161 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.755 -7.458 5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.806 -8.852 4.854 1.00 0.00 H new ATOM 172 N HIS A 14 -4.361 -6.715 9.728 1.00 0.00 N ATOM 173 CA HIS A 14 -3.659 -5.566 10.340 1.00 0.00 C ATOM 174 C HIS A 14 -2.237 -5.461 9.744 1.00 0.00 C ATOM 175 O HIS A 14 -1.625 -6.472 9.440 1.00 0.00 O ATOM 176 CB HIS A 14 -3.584 -5.830 11.846 1.00 0.00 C ATOM 177 CG HIS A 14 -4.973 -6.006 12.409 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.866 -7.045 12.333 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.595 -5.031 13.176 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -7.023 -6.727 13.039 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.809 -5.504 13.528 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.480 -7.515 10.350 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.184 -4.631 10.144 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.989 -6.723 12.038 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.083 -5.000 12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.183 -4.069 13.443 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.904 -7.339 13.164 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.481 -4.990 14.098 1.00 0.00 H new ATOM 189 N ASN A 15 -1.714 -4.254 9.568 1.00 0.00 N ATOM 190 CA ASN A 15 -0.338 -4.075 8.986 1.00 0.00 C ATOM 191 C ASN A 15 -0.327 -4.578 7.516 1.00 0.00 C ATOM 192 O ASN A 15 0.353 -5.541 7.195 1.00 0.00 O ATOM 193 CB ASN A 15 0.682 -4.852 9.839 1.00 0.00 C ATOM 194 CG ASN A 15 2.009 -4.086 9.891 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.432 -3.504 8.910 1.00 0.00 O ATOM 196 ND2 ASN A 15 2.690 -4.064 11.005 1.00 0.00 N ATOM 0 H ASN A 15 -2.190 -3.384 9.806 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.065 -3.020 8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.294 -4.993 10.848 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.841 -5.844 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.575 -3.559 11.052 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.337 -4.551 11.828 1.00 0.00 H new ATOM 203 N PRO A 16 -1.097 -3.914 6.654 1.00 0.00 N ATOM 204 CA PRO A 16 -1.195 -4.292 5.224 1.00 0.00 C ATOM 205 C PRO A 16 -0.030 -3.727 4.397 1.00 0.00 C ATOM 206 O PRO A 16 0.513 -2.679 4.701 1.00 0.00 O ATOM 207 CB PRO A 16 -2.505 -3.640 4.771 1.00 0.00 C ATOM 208 CG PRO A 16 -2.772 -2.469 5.747 1.00 0.00 C ATOM 209 CD PRO A 16 -1.945 -2.747 7.015 1.00 0.00 C ATOM 0 HA PRO A 16 -1.163 -5.373 5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.425 -3.280 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.324 -4.359 4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.483 -1.519 5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.833 -2.399 5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.338 -1.885 7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.587 -2.970 7.867 1.00 0.00 H new ATOM 217 N LEU A 17 0.311 -4.416 3.327 1.00 0.00 N ATOM 218 CA LEU A 17 1.400 -3.964 2.396 1.00 0.00 C ATOM 219 C LEU A 17 2.670 -3.528 3.154 1.00 0.00 C ATOM 220 O LEU A 17 3.376 -2.624 2.725 1.00 0.00 O ATOM 221 CB LEU A 17 0.864 -2.801 1.545 1.00 0.00 C ATOM 222 CG LEU A 17 -0.257 -3.309 0.622 1.00 0.00 C ATOM 223 CD1 LEU A 17 -1.626 -2.866 1.165 1.00 0.00 C ATOM 224 CD2 LEU A 17 -0.059 -2.746 -0.791 1.00 0.00 C ATOM 0 H LEU A 17 -0.132 -5.294 3.055 1.00 0.00 H new ATOM 0 HA LEU A 17 1.684 -4.804 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.486 -2.009 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.670 -2.370 0.951 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.221 -4.398 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.414 -3.230 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.771 -3.276 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.665 -1.778 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.855 -3.108 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.086 -1.657 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.905 -3.072 -1.181 1.00 0.00 H new ATOM 236 N ASP A 18 2.982 -4.181 4.256 1.00 0.00 N ATOM 237 CA ASP A 18 4.226 -3.824 5.024 1.00 0.00 C ATOM 238 C ASP A 18 5.451 -4.174 4.171 1.00 0.00 C ATOM 239 O ASP A 18 6.478 -3.491 4.208 1.00 0.00 O ATOM 240 CB ASP A 18 4.275 -4.597 6.352 1.00 0.00 C ATOM 241 CG ASP A 18 3.988 -6.081 6.103 1.00 0.00 C ATOM 242 OD1 ASP A 18 2.827 -6.456 6.154 1.00 0.00 O ATOM 243 OD2 ASP A 18 4.932 -6.817 5.869 1.00 0.00 O ATOM 0 H ASP A 18 2.432 -4.942 4.655 1.00 0.00 H new ATOM 0 HA ASP A 18 4.221 -2.757 5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.255 -4.480 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.543 -4.188 7.048 1.00 0.00 H new ATOM 248 N SER A 19 5.326 -5.217 3.376 1.00 0.00 N ATOM 249 CA SER A 19 6.437 -5.638 2.479 1.00 0.00 C ATOM 250 C SER A 19 6.664 -4.530 1.454 1.00 0.00 C ATOM 251 O SER A 19 7.775 -4.305 1.011 1.00 0.00 O ATOM 252 CB SER A 19 6.042 -6.938 1.770 1.00 0.00 C ATOM 253 OG SER A 19 6.902 -7.986 2.196 1.00 0.00 O ATOM 0 H SER A 19 4.488 -5.796 3.316 1.00 0.00 H new ATOM 0 HA SER A 19 7.351 -5.809 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.005 -7.188 1.996 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.111 -6.812 0.690 1.00 0.00 H new ATOM 0 HG SER A 19 6.556 -8.844 1.873 1.00 0.00 H new ATOM 259 N CYS A 20 5.604 -3.845 1.086 1.00 0.00 N ATOM 260 CA CYS A 20 5.700 -2.731 0.100 1.00 0.00 C ATOM 261 C CYS A 20 6.405 -1.550 0.755 1.00 0.00 C ATOM 262 O CYS A 20 7.146 -0.826 0.109 1.00 0.00 O ATOM 263 CB CYS A 20 4.295 -2.336 -0.342 1.00 0.00 C ATOM 264 SG CYS A 20 3.402 -3.830 -0.850 1.00 0.00 S ATOM 0 H CYS A 20 4.662 -4.019 1.437 1.00 0.00 H new ATOM 0 HA CYS A 20 6.271 -3.044 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.768 -1.840 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.344 -1.626 -1.168 1.00 0.00 H new ATOM 269 N ARG A 21 6.190 -1.372 2.042 1.00 0.00 N ATOM 270 CA ARG A 21 6.847 -0.257 2.786 1.00 0.00 C ATOM 271 C ARG A 21 8.374 -0.453 2.701 1.00 0.00 C ATOM 272 O ARG A 21 9.114 0.439 2.283 1.00 0.00 O ATOM 273 CB ARG A 21 6.319 -0.252 4.259 1.00 0.00 C ATOM 274 CG ARG A 21 7.420 -0.540 5.307 1.00 0.00 C ATOM 275 CD ARG A 21 6.904 -0.206 6.705 1.00 0.00 C ATOM 276 NE ARG A 21 8.049 0.228 7.559 1.00 0.00 N ATOM 277 CZ ARG A 21 8.279 -0.364 8.702 1.00 0.00 C ATOM 278 NH1 ARG A 21 8.127 -1.655 8.817 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.664 0.338 9.734 1.00 0.00 N ATOM 0 H ARG A 21 5.580 -1.961 2.609 1.00 0.00 H new ATOM 0 HA ARG A 21 6.610 0.715 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.869 0.718 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.530 -0.998 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.715 -1.588 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.308 0.052 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.155 0.584 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.417 -1.077 7.144 1.00 0.00 H new ATOM 0 HE ARG A 21 8.654 0.989 7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.828 -2.207 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.308 -2.112 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.785 1.347 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.844 -0.123 10.626 1.00 0.00 H new ATOM 293 N TRP A 22 8.835 -1.620 3.111 1.00 0.00 N ATOM 294 CA TRP A 22 10.311 -1.888 3.081 1.00 0.00 C ATOM 295 C TRP A 22 10.815 -1.952 1.641 1.00 0.00 C ATOM 296 O TRP A 22 11.974 -1.652 1.374 1.00 0.00 O ATOM 297 CB TRP A 22 10.679 -3.173 3.830 1.00 0.00 C ATOM 298 CG TRP A 22 10.737 -2.844 5.272 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.012 -3.402 6.246 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.570 -1.853 5.884 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.351 -2.795 7.452 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.322 -1.822 7.267 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.508 -0.990 5.344 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.007 -0.932 8.102 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.206 -0.092 6.166 1.00 0.00 C ATOM 306 CH2 TRP A 22 12.954 -0.062 7.546 1.00 0.00 C ATOM 0 H TRP A 22 8.259 -2.386 3.460 1.00 0.00 H new ATOM 0 HA TRP A 22 10.799 -1.059 3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.939 -3.951 3.643 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.639 -3.557 3.485 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.285 -4.191 6.119 1.00 0.00 H new ATOM 0 HE1 TRP A 22 9.939 -3.034 8.354 1.00 0.00 H new ATOM 0 HE3 TRP A 22 12.704 -1.008 4.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 11.808 -0.916 9.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 13.937 0.576 5.736 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.489 0.631 8.179 1.00 0.00 H new ATOM 317 N TYR A 23 9.955 -2.317 0.713 1.00 0.00 N ATOM 318 CA TYR A 23 10.373 -2.384 -0.716 1.00 0.00 C ATOM 319 C TYR A 23 10.632 -0.963 -1.203 1.00 0.00 C ATOM 320 O TYR A 23 11.483 -0.755 -2.046 1.00 0.00 O ATOM 321 CB TYR A 23 9.299 -3.069 -1.567 1.00 0.00 C ATOM 322 CG TYR A 23 9.756 -3.179 -3.012 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.078 -3.545 -3.323 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.849 -2.913 -4.045 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.484 -3.638 -4.661 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.255 -3.009 -5.380 1.00 0.00 C ATOM 327 CZ TYR A 23 10.573 -3.369 -5.688 1.00 0.00 C ATOM 328 OH TYR A 23 10.973 -3.459 -7.008 1.00 0.00 O ATOM 0 H TYR A 23 8.983 -2.570 0.891 1.00 0.00 H new ATOM 0 HA TYR A 23 11.282 -2.978 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.090 -4.062 -1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.369 -2.502 -1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.781 -3.755 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.833 -2.633 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.500 -3.917 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.552 -2.805 -6.174 1.00 0.00 H new ATOM 0 HH TYR A 23 10.218 -3.242 -7.594 1.00 0.00 H new ATOM 338 N VAL A 24 9.938 0.020 -0.644 1.00 0.00 N ATOM 339 CA VAL A 24 10.208 1.436 -1.044 1.00 0.00 C ATOM 340 C VAL A 24 11.535 1.820 -0.421 1.00 0.00 C ATOM 341 O VAL A 24 12.344 2.459 -1.049 1.00 0.00 O ATOM 342 CB VAL A 24 9.142 2.409 -0.528 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.513 3.840 -0.967 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.773 2.036 -1.098 1.00 0.00 C ATOM 0 H VAL A 24 9.210 -0.104 0.060 1.00 0.00 H new ATOM 0 HA VAL A 24 10.208 1.499 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 24 9.097 2.355 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.759 4.539 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.485 4.107 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.557 3.887 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.022 2.733 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.806 2.085 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.514 1.024 -0.789 1.00 0.00 H new ATOM 354 N SER A 25 11.751 1.441 0.827 1.00 0.00 N ATOM 355 CA SER A 25 13.036 1.792 1.521 1.00 0.00 C ATOM 356 C SER A 25 14.235 1.337 0.669 1.00 0.00 C ATOM 357 O SER A 25 15.230 2.034 0.575 1.00 0.00 O ATOM 358 CB SER A 25 13.123 1.102 2.886 1.00 0.00 C ATOM 359 OG SER A 25 11.821 0.939 3.436 1.00 0.00 O ATOM 0 H SER A 25 11.091 0.905 1.390 1.00 0.00 H new ATOM 0 HA SER A 25 13.058 2.873 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.606 0.130 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.740 1.693 3.562 1.00 0.00 H new ATOM 0 HG SER A 25 11.891 0.557 4.336 1.00 0.00 H new ATOM 365 N THR A 26 14.139 0.161 0.071 1.00 0.00 N ATOM 366 CA THR A 26 15.267 -0.395 -0.762 1.00 0.00 C ATOM 367 C THR A 26 15.334 0.275 -2.150 1.00 0.00 C ATOM 368 O THR A 26 16.382 0.740 -2.562 1.00 0.00 O ATOM 369 CB THR A 26 15.060 -1.922 -0.906 1.00 0.00 C ATOM 370 OG1 THR A 26 15.242 -2.535 0.362 1.00 0.00 O ATOM 371 CG2 THR A 26 16.054 -2.536 -1.907 1.00 0.00 C ATOM 0 H THR A 26 13.318 -0.442 0.126 1.00 0.00 H new ATOM 0 HA THR A 26 16.214 -0.187 -0.264 1.00 0.00 H new ATOM 0 HB THR A 26 14.051 -2.095 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.706 -1.914 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.879 -3.609 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.916 -2.076 -2.886 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.073 -2.358 -1.563 1.00 0.00 H new ATOM 379 N ARG A 27 14.240 0.293 -2.869 1.00 0.00 N ATOM 380 CA ARG A 27 14.215 0.898 -4.242 1.00 0.00 C ATOM 381 C ARG A 27 14.598 2.381 -4.187 1.00 0.00 C ATOM 382 O ARG A 27 15.031 2.946 -5.178 1.00 0.00 O ATOM 383 CB ARG A 27 12.804 0.770 -4.828 1.00 0.00 C ATOM 384 CG ARG A 27 12.508 -0.694 -5.164 1.00 0.00 C ATOM 385 CD ARG A 27 12.847 -0.963 -6.634 1.00 0.00 C ATOM 386 NE ARG A 27 14.273 -0.615 -6.891 1.00 0.00 N ATOM 387 CZ ARG A 27 15.148 -1.557 -7.113 1.00 0.00 C ATOM 388 NH1 ARG A 27 14.951 -2.423 -8.071 1.00 0.00 N ATOM 389 NH2 ARG A 27 16.222 -1.635 -6.375 1.00 0.00 N ATOM 0 H ARG A 27 13.347 -0.092 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 27 14.934 0.369 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.070 1.144 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.717 1.383 -5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.092 -1.351 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.457 -0.915 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.670 -2.012 -6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.196 -0.375 -7.281 1.00 0.00 H new ATOM 0 HE ARG A 27 14.566 0.362 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.112 -2.364 -8.647 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.637 -3.158 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.376 -0.960 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.907 -2.371 -6.547 1.00 0.00 H new ATOM 403 N THR A 28 14.391 3.014 -3.054 1.00 0.00 N ATOM 404 CA THR A 28 14.680 4.476 -2.919 1.00 0.00 C ATOM 405 C THR A 28 16.064 4.740 -2.271 1.00 0.00 C ATOM 406 O THR A 28 16.943 5.291 -2.915 1.00 0.00 O ATOM 407 CB THR A 28 13.543 5.126 -2.098 1.00 0.00 C ATOM 408 OG1 THR A 28 13.506 4.579 -0.793 1.00 0.00 O ATOM 409 CG2 THR A 28 12.199 4.866 -2.789 1.00 0.00 C ATOM 0 H THR A 28 14.030 2.572 -2.209 1.00 0.00 H new ATOM 0 HA THR A 28 14.722 4.923 -3.912 1.00 0.00 H new ATOM 0 HB THR A 28 13.726 6.198 -2.032 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.739 3.974 -0.713 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.397 5.324 -2.210 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.215 5.297 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.028 3.792 -2.859 1.00 0.00 H new ATOM 417 N CYS A 29 16.257 4.380 -1.010 1.00 0.00 N ATOM 418 CA CYS A 29 17.571 4.637 -0.312 1.00 0.00 C ATOM 419 C CYS A 29 18.443 3.377 -0.251 1.00 0.00 C ATOM 420 O CYS A 29 19.387 3.316 0.523 1.00 0.00 O ATOM 421 CB CYS A 29 17.296 5.136 1.108 1.00 0.00 C ATOM 422 SG CYS A 29 16.739 6.843 1.033 1.00 0.00 S ATOM 0 H CYS A 29 15.554 3.917 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 29 18.115 5.389 -0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 29 16.539 4.514 1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.199 5.061 1.714 1.00 0.00 H new ATOM 427 N GLY A 30 18.136 2.380 -1.043 1.00 0.00 N ATOM 428 CA GLY A 30 18.937 1.106 -1.029 1.00 0.00 C ATOM 429 C GLY A 30 18.959 0.501 0.390 1.00 0.00 C ATOM 430 O GLY A 30 19.827 -0.296 0.710 1.00 0.00 O ATOM 0 H GLY A 30 17.360 2.389 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.507 0.391 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.955 1.305 -1.362 1.00 0.00 H new ATOM 434 N VAL A 31 18.008 0.870 1.232 1.00 0.00 N ATOM 435 CA VAL A 31 17.944 0.326 2.632 1.00 0.00 C ATOM 436 C VAL A 31 16.780 -0.668 2.729 1.00 0.00 C ATOM 437 O VAL A 31 15.881 -0.653 1.904 1.00 0.00 O ATOM 438 CB VAL A 31 17.719 1.481 3.619 1.00 0.00 C ATOM 439 CG1 VAL A 31 17.703 0.945 5.055 1.00 0.00 C ATOM 440 CG2 VAL A 31 18.846 2.513 3.476 1.00 0.00 C ATOM 0 H VAL A 31 17.267 1.533 1.002 1.00 0.00 H new ATOM 0 HA VAL A 31 18.879 -0.179 2.876 1.00 0.00 H new ATOM 0 HB VAL A 31 16.762 1.953 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.543 1.770 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.898 0.218 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.657 0.465 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.682 3.330 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.804 2.038 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.854 2.905 2.459 1.00 0.00 H new ATOM 450 N GLY A 32 16.794 -1.529 3.730 1.00 0.00 N ATOM 451 CA GLY A 32 15.696 -2.537 3.887 1.00 0.00 C ATOM 452 C GLY A 32 16.311 -3.925 4.197 1.00 0.00 C ATOM 453 O GLY A 32 17.528 -4.034 4.215 1.00 0.00 O ATOM 0 H GLY A 32 17.522 -1.573 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.024 -2.237 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.100 -2.587 2.976 1.00 0.00 H new ATOM 457 N PRO A 33 15.491 -4.970 4.418 1.00 0.00 N ATOM 458 CA PRO A 33 16.042 -6.322 4.697 1.00 0.00 C ATOM 459 C PRO A 33 16.767 -6.860 3.452 1.00 0.00 C ATOM 460 O PRO A 33 16.738 -6.235 2.402 1.00 0.00 O ATOM 461 CB PRO A 33 14.811 -7.157 5.083 1.00 0.00 C ATOM 462 CG PRO A 33 13.590 -6.422 4.506 1.00 0.00 C ATOM 463 CD PRO A 33 13.990 -4.940 4.405 1.00 0.00 C ATOM 0 HA PRO A 33 16.788 -6.339 5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.884 -8.166 4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.731 -7.253 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.322 -6.821 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.720 -6.547 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.607 -4.484 3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.595 -4.362 5.240 1.00 0.00 H new ATOM 471 N ARG A 34 17.443 -7.990 3.572 1.00 0.00 N ATOM 472 CA ARG A 34 18.206 -8.551 2.414 1.00 0.00 C ATOM 473 C ARG A 34 17.341 -9.552 1.640 1.00 0.00 C ATOM 474 O ARG A 34 17.384 -10.754 1.862 1.00 0.00 O ATOM 475 CB ARG A 34 19.476 -9.240 2.927 1.00 0.00 C ATOM 476 CG ARG A 34 20.338 -9.666 1.737 1.00 0.00 C ATOM 477 CD ARG A 34 21.742 -10.025 2.225 1.00 0.00 C ATOM 478 NE ARG A 34 22.742 -9.618 1.198 1.00 0.00 N ATOM 479 CZ ARG A 34 22.744 -10.193 0.026 1.00 0.00 C ATOM 480 NH1 ARG A 34 22.727 -11.495 -0.064 1.00 0.00 N ATOM 481 NH2 ARG A 34 22.760 -9.465 -1.058 1.00 0.00 N ATOM 0 H ARG A 34 17.494 -8.543 4.427 1.00 0.00 H new ATOM 0 HA ARG A 34 18.481 -7.739 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.036 -8.562 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.213 -10.109 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 34 19.886 -10.522 1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.391 -8.859 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.950 -9.523 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 34 21.811 -11.097 2.411 1.00 0.00 H new ATOM 0 HE ARG A 34 23.425 -8.891 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 34 22.712 -12.065 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 34 22.729 -11.943 -0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 34 22.771 -8.447 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 34 22.762 -9.914 -1.974 1.00 0.00 H new ATOM 495 N LEU A 35 16.568 -9.034 0.718 1.00 0.00 N ATOM 496 CA LEU A 35 15.683 -9.882 -0.134 1.00 0.00 C ATOM 497 C LEU A 35 15.734 -9.333 -1.561 1.00 0.00 C ATOM 498 O LEU A 35 15.597 -8.139 -1.769 1.00 0.00 O ATOM 499 CB LEU A 35 14.249 -9.824 0.396 1.00 0.00 C ATOM 500 CG LEU A 35 14.199 -10.453 1.792 1.00 0.00 C ATOM 501 CD1 LEU A 35 12.858 -10.124 2.451 1.00 0.00 C ATOM 502 CD2 LEU A 35 14.364 -11.976 1.682 1.00 0.00 C ATOM 0 H LEU A 35 16.514 -8.035 0.517 1.00 0.00 H new ATOM 0 HA LEU A 35 16.017 -10.919 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.906 -8.790 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.578 -10.355 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 35 15.009 -10.050 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.821 -10.571 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.750 -9.043 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.046 -10.523 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.328 -12.419 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.559 -12.386 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.323 -12.205 1.218 1.00 0.00 H new ATOM 514 N ALA A 36 15.951 -10.191 -2.541 1.00 0.00 N ATOM 515 CA ALA A 36 16.041 -9.731 -3.971 1.00 0.00 C ATOM 516 C ALA A 36 14.819 -8.857 -4.320 1.00 0.00 C ATOM 517 O ALA A 36 13.735 -9.088 -3.812 1.00 0.00 O ATOM 518 CB ALA A 36 16.082 -10.947 -4.899 1.00 0.00 C ATOM 0 H ALA A 36 16.070 -11.195 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 36 16.950 -9.143 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.147 -10.613 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.952 -11.558 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.176 -11.538 -4.765 1.00 0.00 H new ATOM 524 N THR A 37 14.991 -7.853 -5.169 1.00 0.00 N ATOM 525 CA THR A 37 13.852 -6.954 -5.543 1.00 0.00 C ATOM 526 C THR A 37 12.689 -7.750 -6.126 1.00 0.00 C ATOM 527 O THR A 37 11.595 -7.668 -5.628 1.00 0.00 O ATOM 528 CB THR A 37 14.313 -5.917 -6.577 1.00 0.00 C ATOM 529 OG1 THR A 37 15.342 -6.465 -7.392 1.00 0.00 O ATOM 530 CG2 THR A 37 14.835 -4.668 -5.858 1.00 0.00 C ATOM 0 H THR A 37 15.879 -7.624 -5.616 1.00 0.00 H new ATOM 0 HA THR A 37 13.517 -6.452 -4.636 1.00 0.00 H new ATOM 0 HB THR A 37 13.467 -5.645 -7.208 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.629 -5.797 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.161 -3.934 -6.595 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.040 -4.241 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.676 -4.940 -5.220 1.00 0.00 H new ATOM 538 N GLN A 38 12.910 -8.492 -7.190 1.00 0.00 N ATOM 539 CA GLN A 38 11.794 -9.276 -7.836 1.00 0.00 C ATOM 540 C GLN A 38 11.008 -10.090 -6.793 1.00 0.00 C ATOM 541 O GLN A 38 9.798 -10.231 -6.897 1.00 0.00 O ATOM 542 CB GLN A 38 12.382 -10.220 -8.897 1.00 0.00 C ATOM 543 CG GLN A 38 12.085 -9.677 -10.298 1.00 0.00 C ATOM 544 CD GLN A 38 12.700 -10.606 -11.349 1.00 0.00 C ATOM 545 OE1 GLN A 38 13.769 -10.339 -11.861 1.00 0.00 O ATOM 546 NE2 GLN A 38 12.064 -11.692 -11.694 1.00 0.00 N ATOM 0 H GLN A 38 13.818 -8.591 -7.643 1.00 0.00 H new ATOM 0 HA GLN A 38 11.105 -8.573 -8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.458 -10.316 -8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.956 -11.217 -8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.008 -9.602 -10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.492 -8.672 -10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.167 -11.916 -11.264 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.464 -12.317 -12.394 1.00 0.00 H new ATOM 555 N GLU A 39 11.690 -10.624 -5.804 1.00 0.00 N ATOM 556 CA GLU A 39 11.008 -11.441 -4.746 1.00 0.00 C ATOM 557 C GLU A 39 10.150 -10.538 -3.856 1.00 0.00 C ATOM 558 O GLU A 39 9.062 -10.915 -3.441 1.00 0.00 O ATOM 559 CB GLU A 39 12.065 -12.139 -3.889 1.00 0.00 C ATOM 560 CG GLU A 39 12.583 -13.379 -4.622 1.00 0.00 C ATOM 561 CD GLU A 39 13.190 -14.351 -3.608 1.00 0.00 C ATOM 562 OE1 GLU A 39 12.428 -14.995 -2.906 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.406 -14.432 -3.550 1.00 0.00 O ATOM 0 H GLU A 39 12.698 -10.528 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 39 10.368 -12.183 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.889 -11.456 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.638 -12.424 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.769 -13.862 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.331 -13.092 -5.361 1.00 0.00 H new ATOM 570 N MET A 40 10.638 -9.350 -3.561 1.00 0.00 N ATOM 571 CA MET A 40 9.885 -8.396 -2.694 1.00 0.00 C ATOM 572 C MET A 40 8.604 -8.017 -3.442 1.00 0.00 C ATOM 573 O MET A 40 7.504 -8.168 -2.941 1.00 0.00 O ATOM 574 CB MET A 40 10.748 -7.143 -2.490 1.00 0.00 C ATOM 575 CG MET A 40 10.409 -6.378 -1.185 1.00 0.00 C ATOM 576 SD MET A 40 8.689 -6.618 -0.643 1.00 0.00 S ATOM 577 CE MET A 40 9.023 -7.977 0.501 1.00 0.00 C ATOM 0 H MET A 40 11.538 -9.003 -3.892 1.00 0.00 H new ATOM 0 HA MET A 40 9.647 -8.835 -1.725 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.799 -7.432 -2.472 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.615 -6.475 -3.341 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.082 -6.706 -0.393 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.591 -5.314 -1.337 1.00 0.00 H new ATOM 0 HE1 MET A 40 8.205 -8.696 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.953 -8.470 0.219 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.113 -7.586 1.514 1.00 0.00 H new ATOM 587 N LYS A 41 8.772 -7.540 -4.656 1.00 0.00 N ATOM 588 CA LYS A 41 7.617 -7.142 -5.524 1.00 0.00 C ATOM 589 C LYS A 41 6.621 -8.310 -5.605 1.00 0.00 C ATOM 590 O LYS A 41 5.418 -8.103 -5.637 1.00 0.00 O ATOM 591 CB LYS A 41 8.166 -6.791 -6.923 1.00 0.00 C ATOM 592 CG LYS A 41 7.029 -6.642 -7.948 1.00 0.00 C ATOM 593 CD LYS A 41 6.926 -7.922 -8.783 1.00 0.00 C ATOM 594 CE LYS A 41 5.820 -7.767 -9.829 1.00 0.00 C ATOM 595 NZ LYS A 41 6.162 -6.651 -10.757 1.00 0.00 N ATOM 0 H LYS A 41 9.685 -7.408 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 41 7.098 -6.277 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.735 -5.863 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.855 -7.569 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.086 -6.452 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.218 -5.786 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.878 -8.125 -9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.712 -8.773 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.702 -8.695 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.867 -7.567 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.983 -6.948 -11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.575 -5.822 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.166 -6.404 -10.648 1.00 0.00 H new ATOM 609 N ALA A 42 7.126 -9.526 -5.626 1.00 0.00 N ATOM 610 CA ALA A 42 6.237 -10.727 -5.691 1.00 0.00 C ATOM 611 C ALA A 42 5.377 -10.776 -4.425 1.00 0.00 C ATOM 612 O ALA A 42 4.180 -11.032 -4.484 1.00 0.00 O ATOM 613 CB ALA A 42 7.095 -11.992 -5.777 1.00 0.00 C ATOM 0 H ALA A 42 8.124 -9.735 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 42 5.596 -10.667 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.448 -12.868 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.716 -11.950 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.733 -12.059 -4.896 1.00 0.00 H new ATOM 619 N ARG A 43 5.988 -10.527 -3.284 1.00 0.00 N ATOM 620 CA ARG A 43 5.239 -10.548 -1.987 1.00 0.00 C ATOM 621 C ARG A 43 4.127 -9.496 -2.011 1.00 0.00 C ATOM 622 O ARG A 43 2.993 -9.785 -1.664 1.00 0.00 O ATOM 623 CB ARG A 43 6.202 -10.247 -0.833 1.00 0.00 C ATOM 624 CG ARG A 43 6.662 -11.558 -0.190 1.00 0.00 C ATOM 625 CD ARG A 43 8.002 -11.980 -0.795 1.00 0.00 C ATOM 626 NE ARG A 43 8.460 -13.248 -0.157 1.00 0.00 N ATOM 627 CZ ARG A 43 8.838 -13.253 1.092 1.00 0.00 C ATOM 628 NH1 ARG A 43 9.711 -12.379 1.516 1.00 0.00 N ATOM 629 NH2 ARG A 43 8.345 -14.135 1.918 1.00 0.00 N ATOM 0 H ARG A 43 6.981 -10.309 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 43 4.797 -11.534 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.063 -9.689 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.710 -9.619 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.761 -11.431 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.916 -12.336 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.899 -12.119 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.744 -11.196 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 43 8.478 -14.113 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.099 -11.691 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.005 -12.385 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.665 -14.819 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.640 -14.140 2.894 1.00 0.00 H new ATOM 643 N CYS A 44 4.449 -8.278 -2.411 1.00 0.00 N ATOM 644 CA CYS A 44 3.419 -7.188 -2.454 1.00 0.00 C ATOM 645 C CYS A 44 2.283 -7.534 -3.416 1.00 0.00 C ATOM 646 O CYS A 44 1.159 -7.147 -3.185 1.00 0.00 O ATOM 647 CB CYS A 44 4.022 -5.890 -2.935 1.00 0.00 C ATOM 648 SG CYS A 44 4.829 -5.087 -1.553 1.00 0.00 S ATOM 0 H CYS A 44 5.383 -7.997 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 44 3.040 -7.085 -1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.739 -6.079 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.248 -5.244 -3.348 1.00 0.00 H new ATOM 653 N CYS A 45 2.576 -8.227 -4.503 1.00 0.00 N ATOM 654 CA CYS A 45 1.502 -8.580 -5.493 1.00 0.00 C ATOM 655 C CYS A 45 0.630 -9.685 -4.909 1.00 0.00 C ATOM 656 O CYS A 45 -0.543 -9.788 -5.235 1.00 0.00 O ATOM 657 CB CYS A 45 2.122 -9.065 -6.811 1.00 0.00 C ATOM 658 SG CYS A 45 2.645 -7.678 -7.872 1.00 0.00 S ATOM 0 H CYS A 45 3.510 -8.560 -4.743 1.00 0.00 H new ATOM 0 HA CYS A 45 0.901 -7.693 -5.695 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.981 -9.700 -6.595 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.399 -9.679 -7.348 1.00 0.00 H new ATOM 663 N ARG A 46 1.195 -10.512 -4.054 1.00 0.00 N ATOM 664 CA ARG A 46 0.412 -11.622 -3.440 1.00 0.00 C ATOM 665 C ARG A 46 -0.515 -11.046 -2.371 1.00 0.00 C ATOM 666 O ARG A 46 -1.617 -11.533 -2.174 1.00 0.00 O ATOM 667 CB ARG A 46 1.374 -12.622 -2.797 1.00 0.00 C ATOM 668 CG ARG A 46 0.691 -13.984 -2.671 1.00 0.00 C ATOM 669 CD ARG A 46 0.908 -14.783 -3.958 1.00 0.00 C ATOM 670 NE ARG A 46 0.641 -16.225 -3.698 1.00 0.00 N ATOM 671 CZ ARG A 46 -0.561 -16.704 -3.863 1.00 0.00 C ATOM 672 NH1 ARG A 46 -1.535 -16.300 -3.094 1.00 0.00 N ATOM 673 NH2 ARG A 46 -0.789 -17.588 -4.796 1.00 0.00 N ATOM 0 H ARG A 46 2.170 -10.460 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.179 -12.127 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.278 -12.712 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.681 -12.266 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.097 -14.529 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.375 -13.853 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.247 -14.415 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.930 -14.650 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 46 1.397 -16.837 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.356 -15.610 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.475 -16.674 -3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.027 -17.904 -5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.729 -17.963 -4.925 1.00 0.00 H new ATOM 687 N GLN A 47 -0.069 -10.011 -1.684 1.00 0.00 N ATOM 688 CA GLN A 47 -0.914 -9.382 -0.616 1.00 0.00 C ATOM 689 C GLN A 47 -1.969 -8.464 -1.247 1.00 0.00 C ATOM 690 O GLN A 47 -3.090 -8.369 -0.772 1.00 0.00 O ATOM 691 CB GLN A 47 -0.025 -8.572 0.334 1.00 0.00 C ATOM 692 CG GLN A 47 1.076 -9.476 0.912 1.00 0.00 C ATOM 693 CD GLN A 47 1.180 -9.263 2.426 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.559 -9.970 3.195 1.00 0.00 O ATOM 695 NE2 GLN A 47 1.947 -8.314 2.885 1.00 0.00 N ATOM 0 H GLN A 47 0.844 -9.578 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.421 -10.168 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.423 -7.733 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.626 -8.153 1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.852 -10.521 0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.031 -9.251 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.468 -7.721 2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.027 -8.164 3.891 1.00 0.00 H new ATOM 704 N LEU A 48 -1.595 -7.784 -2.305 1.00 0.00 N ATOM 705 CA LEU A 48 -2.511 -6.837 -3.001 1.00 0.00 C ATOM 706 C LEU A 48 -3.614 -7.606 -3.725 1.00 0.00 C ATOM 707 O LEU A 48 -4.758 -7.176 -3.739 1.00 0.00 O ATOM 708 CB LEU A 48 -1.699 -6.015 -4.010 1.00 0.00 C ATOM 709 CG LEU A 48 -2.530 -4.824 -4.501 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.670 -3.561 -4.510 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.040 -5.100 -5.920 1.00 0.00 C ATOM 0 H LEU A 48 -0.667 -7.851 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.975 -6.174 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.778 -5.661 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.411 -6.641 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.377 -4.681 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.266 -2.718 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.311 -3.358 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.819 -3.705 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.630 -4.251 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.192 -5.249 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.661 -5.996 -5.916 1.00 0.00 H new ATOM 723 N GLU A 49 -3.283 -8.737 -4.316 1.00 0.00 N ATOM 724 CA GLU A 49 -4.317 -9.541 -5.035 1.00 0.00 C ATOM 725 C GLU A 49 -5.149 -10.300 -4.001 1.00 0.00 C ATOM 726 O GLU A 49 -6.364 -10.347 -4.093 1.00 0.00 O ATOM 727 CB GLU A 49 -3.640 -10.524 -5.995 1.00 0.00 C ATOM 728 CG GLU A 49 -4.703 -11.278 -6.810 1.00 0.00 C ATOM 729 CD GLU A 49 -4.574 -12.785 -6.567 1.00 0.00 C ATOM 730 OE1 GLU A 49 -3.619 -13.364 -7.056 1.00 0.00 O ATOM 731 OE2 GLU A 49 -5.433 -13.331 -5.894 1.00 0.00 O ATOM 0 H GLU A 49 -2.343 -9.132 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.963 -8.884 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.969 -9.987 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.030 -11.232 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.699 -10.939 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.582 -11.060 -7.871 1.00 0.00 H new ATOM 738 N ALA A 50 -4.498 -10.870 -2.997 1.00 0.00 N ATOM 739 CA ALA A 50 -5.237 -11.607 -1.910 1.00 0.00 C ATOM 740 C ALA A 50 -6.293 -10.661 -1.337 1.00 0.00 C ATOM 741 O ALA A 50 -7.407 -11.053 -1.040 1.00 0.00 O ATOM 742 CB ALA A 50 -4.261 -12.020 -0.806 1.00 0.00 C ATOM 0 H ALA A 50 -3.484 -10.854 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.706 -12.505 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.801 -12.552 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.493 -12.671 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.792 -11.131 -0.383 1.00 0.00 H new ATOM 748 N ILE A 51 -5.931 -9.403 -1.240 1.00 0.00 N ATOM 749 CA ILE A 51 -6.861 -8.343 -0.758 1.00 0.00 C ATOM 750 C ILE A 51 -7.655 -7.850 -1.984 1.00 0.00 C ATOM 751 O ILE A 51 -7.078 -7.187 -2.825 1.00 0.00 O ATOM 752 CB ILE A 51 -6.061 -7.184 -0.158 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.178 -7.706 0.977 1.00 0.00 C ATOM 754 CG2 ILE A 51 -7.027 -6.137 0.400 1.00 0.00 C ATOM 755 CD1 ILE A 51 -4.066 -6.696 1.264 1.00 0.00 C ATOM 0 H ILE A 51 -5.001 -9.062 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.529 -8.730 0.011 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.437 -6.736 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.777 -7.868 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.747 -8.669 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.460 -5.310 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.663 -5.764 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.648 -6.590 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.437 -7.068 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.461 -6.557 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.507 -5.743 1.556 1.00 0.00 H new ATOM 767 N PRO A 52 -8.925 -8.224 -2.108 1.00 0.00 N ATOM 768 CA PRO A 52 -9.732 -7.844 -3.290 1.00 0.00 C ATOM 769 C PRO A 52 -9.887 -6.325 -3.378 1.00 0.00 C ATOM 770 O PRO A 52 -10.020 -5.644 -2.376 1.00 0.00 O ATOM 771 CB PRO A 52 -11.067 -8.567 -3.080 1.00 0.00 C ATOM 772 CG PRO A 52 -11.147 -8.888 -1.574 1.00 0.00 C ATOM 773 CD PRO A 52 -9.689 -8.989 -1.090 1.00 0.00 C ATOM 0 HA PRO A 52 -9.271 -8.129 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.903 -7.940 -3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.115 -9.478 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.685 -8.108 -1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.682 -9.822 -1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.567 -8.562 -0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.356 -10.026 -1.035 1.00 0.00 H new ATOM 781 N ALA A 53 -9.839 -5.803 -4.589 1.00 0.00 N ATOM 782 CA ALA A 53 -9.950 -4.324 -4.831 1.00 0.00 C ATOM 783 C ALA A 53 -11.059 -3.700 -3.971 1.00 0.00 C ATOM 784 O ALA A 53 -10.960 -2.548 -3.578 1.00 0.00 O ATOM 785 CB ALA A 53 -10.243 -4.089 -6.311 1.00 0.00 C ATOM 0 H ALA A 53 -9.725 -6.356 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.009 -3.849 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.326 -3.019 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.433 -4.502 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.179 -4.578 -6.579 1.00 0.00 H new ATOM 791 N TYR A 54 -12.092 -4.461 -3.656 1.00 0.00 N ATOM 792 CA TYR A 54 -13.196 -3.929 -2.793 1.00 0.00 C ATOM 793 C TYR A 54 -12.645 -3.789 -1.371 1.00 0.00 C ATOM 794 O TYR A 54 -12.346 -4.773 -0.724 1.00 0.00 O ATOM 795 CB TYR A 54 -14.388 -4.898 -2.812 1.00 0.00 C ATOM 796 CG TYR A 54 -15.653 -4.143 -3.154 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.063 -3.068 -2.355 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.413 -4.515 -4.269 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.232 -2.365 -2.671 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.582 -3.812 -4.586 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.992 -2.738 -3.787 1.00 0.00 C ATOM 802 OH TYR A 54 -19.145 -2.045 -4.098 1.00 0.00 O ATOM 0 H TYR A 54 -12.213 -5.426 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.542 -2.963 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.215 -5.688 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.492 -5.381 -1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.477 -2.781 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.098 -5.344 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.547 -1.536 -2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.167 -4.098 -5.447 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.552 -2.431 -4.902 1.00 0.00 H new ATOM 812 N CYS A 55 -12.467 -2.557 -0.921 1.00 0.00 N ATOM 813 CA CYS A 55 -11.877 -2.254 0.439 1.00 0.00 C ATOM 814 C CYS A 55 -10.340 -2.220 0.339 1.00 0.00 C ATOM 815 O CYS A 55 -9.675 -1.730 1.237 1.00 0.00 O ATOM 816 CB CYS A 55 -12.283 -3.284 1.509 1.00 0.00 C ATOM 817 SG CYS A 55 -14.074 -3.553 1.471 1.00 0.00 S ATOM 0 H CYS A 55 -12.714 -1.725 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 55 -12.270 -1.285 0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.763 -4.226 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.982 -2.932 2.496 1.00 0.00 H new ATOM 822 N ARG A 56 -9.775 -2.742 -0.744 1.00 0.00 N ATOM 823 CA ARG A 56 -8.281 -2.760 -0.934 1.00 0.00 C ATOM 824 C ARG A 56 -7.666 -1.389 -0.584 1.00 0.00 C ATOM 825 O ARG A 56 -7.144 -1.224 0.498 1.00 0.00 O ATOM 826 CB ARG A 56 -7.974 -3.128 -2.397 1.00 0.00 C ATOM 827 CG ARG A 56 -6.458 -3.106 -2.649 1.00 0.00 C ATOM 828 CD ARG A 56 -5.951 -4.536 -2.920 1.00 0.00 C ATOM 829 NE ARG A 56 -6.208 -4.964 -4.349 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.131 -4.107 -5.340 1.00 0.00 C ATOM 831 NH1 ARG A 56 -5.146 -3.252 -5.398 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.047 -4.102 -6.264 1.00 0.00 N ATOM 0 H ARG A 56 -10.300 -3.161 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.840 -3.500 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.372 -4.118 -2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.471 -2.426 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.231 -2.463 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.943 -2.686 -1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.882 -4.588 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.442 -5.231 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.445 -5.936 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.431 -3.248 -4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.092 -2.588 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.822 -4.763 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.990 -3.437 -7.035 1.00 0.00 H new ATOM 846 N CYS A 57 -7.703 -0.431 -1.511 1.00 0.00 N ATOM 847 CA CYS A 57 -7.113 0.952 -1.295 1.00 0.00 C ATOM 848 C CYS A 57 -7.014 1.373 0.193 1.00 0.00 C ATOM 849 O CYS A 57 -6.007 1.931 0.591 1.00 0.00 O ATOM 850 CB CYS A 57 -7.970 1.965 -2.053 1.00 0.00 C ATOM 851 SG CYS A 57 -7.808 1.657 -3.831 1.00 0.00 S ATOM 0 H CYS A 57 -8.129 -0.557 -2.429 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.089 0.924 -1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.013 1.879 -1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.652 2.980 -1.816 1.00 0.00 H new ATOM 856 N GLU A 58 -8.038 1.117 1.008 1.00 0.00 N ATOM 857 CA GLU A 58 -8.002 1.496 2.470 1.00 0.00 C ATOM 858 C GLU A 58 -6.622 1.199 3.096 1.00 0.00 C ATOM 859 O GLU A 58 -5.997 2.086 3.640 1.00 0.00 O ATOM 860 CB GLU A 58 -9.070 0.701 3.221 1.00 0.00 C ATOM 861 CG GLU A 58 -10.458 1.211 2.830 1.00 0.00 C ATOM 862 CD GLU A 58 -10.665 2.617 3.395 1.00 0.00 C ATOM 863 OE1 GLU A 58 -10.897 2.728 4.587 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.588 3.561 2.625 1.00 0.00 O ATOM 0 H GLU A 58 -8.900 0.658 0.713 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.192 2.566 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.981 -0.360 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.924 0.802 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.559 1.226 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.225 0.538 3.212 1.00 0.00 H new ATOM 871 N ALA A 59 -6.166 -0.043 3.028 1.00 0.00 N ATOM 872 CA ALA A 59 -4.831 -0.451 3.614 1.00 0.00 C ATOM 873 C ALA A 59 -3.742 0.614 3.393 1.00 0.00 C ATOM 874 O ALA A 59 -2.988 0.927 4.299 1.00 0.00 O ATOM 875 CB ALA A 59 -4.387 -1.764 2.964 1.00 0.00 C ATOM 0 H ALA A 59 -6.674 -0.806 2.581 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.961 -0.568 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.426 -2.068 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.129 -2.537 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.290 -1.622 1.888 1.00 0.00 H new ATOM 881 N VAL A 60 -3.656 1.159 2.203 1.00 0.00 N ATOM 882 CA VAL A 60 -2.619 2.209 1.903 1.00 0.00 C ATOM 883 C VAL A 60 -2.824 3.394 2.859 1.00 0.00 C ATOM 884 O VAL A 60 -1.897 3.850 3.522 1.00 0.00 O ATOM 885 CB VAL A 60 -2.769 2.678 0.451 1.00 0.00 C ATOM 886 CG1 VAL A 60 -1.635 3.645 0.106 1.00 0.00 C ATOM 887 CG2 VAL A 60 -2.704 1.473 -0.495 1.00 0.00 C ATOM 0 H VAL A 60 -4.263 0.922 1.418 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.619 1.796 2.039 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.730 3.179 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.742 3.978 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.677 4.507 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.677 3.140 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.811 1.813 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.745 0.969 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.510 0.779 -0.256 1.00 0.00 H new ATOM 897 N ARG A 61 -4.049 3.869 2.941 1.00 0.00 N ATOM 898 CA ARG A 61 -4.391 4.998 3.857 1.00 0.00 C ATOM 899 C ARG A 61 -4.090 4.585 5.304 1.00 0.00 C ATOM 900 O ARG A 61 -3.876 5.421 6.154 1.00 0.00 O ATOM 901 CB ARG A 61 -5.879 5.337 3.719 1.00 0.00 C ATOM 902 CG ARG A 61 -6.071 6.442 2.666 1.00 0.00 C ATOM 903 CD ARG A 61 -6.671 7.691 3.320 1.00 0.00 C ATOM 904 NE ARG A 61 -7.679 8.298 2.404 1.00 0.00 N ATOM 905 CZ ARG A 61 -8.952 8.089 2.602 1.00 0.00 C ATOM 906 NH1 ARG A 61 -9.567 8.685 3.588 1.00 0.00 N ATOM 907 NH2 ARG A 61 -9.612 7.286 1.812 1.00 0.00 N ATOM 0 H ARG A 61 -4.836 3.512 2.400 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.796 5.873 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.438 4.447 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.276 5.665 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.114 6.687 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.726 6.088 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.138 7.428 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.884 8.412 3.541 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.373 8.877 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.052 9.314 4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.562 8.521 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.133 6.822 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.607 7.122 1.967 1.00 0.00 H new ATOM 921 N ILE A 62 -4.102 3.299 5.581 1.00 0.00 N ATOM 922 CA ILE A 62 -3.830 2.792 6.964 1.00 0.00 C ATOM 923 C ILE A 62 -2.328 2.822 7.244 1.00 0.00 C ATOM 924 O ILE A 62 -1.919 2.955 8.385 1.00 0.00 O ATOM 925 CB ILE A 62 -4.356 1.349 7.065 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.883 1.335 6.873 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.995 0.731 8.417 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.578 2.174 7.954 1.00 0.00 C ATOM 0 H ILE A 62 -4.292 2.570 4.894 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.330 3.423 7.698 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.887 0.755 6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.133 1.726 5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.249 0.309 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.377 -0.289 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.911 0.718 8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.439 1.323 9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.656 2.149 7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.345 1.766 8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.227 3.204 7.896 1.00 0.00 H new ATOM 940 N LEU A 63 -1.514 2.681 6.226 1.00 0.00 N ATOM 941 CA LEU A 63 -0.040 2.695 6.441 1.00 0.00 C ATOM 942 C LEU A 63 0.433 4.131 6.616 1.00 0.00 C ATOM 943 O LEU A 63 1.273 4.403 7.458 1.00 0.00 O ATOM 944 CB LEU A 63 0.674 2.038 5.250 1.00 0.00 C ATOM 945 CG LEU A 63 2.200 2.027 5.480 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.739 0.595 5.349 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.885 2.925 4.440 1.00 0.00 C ATOM 0 H LEU A 63 -1.810 2.557 5.258 1.00 0.00 H new ATOM 0 HA LEU A 63 0.199 2.129 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.312 1.018 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.441 2.580 4.334 1.00 0.00 H new ATOM 0 HG LEU A 63 2.411 2.401 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.817 0.595 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.260 -0.044 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.524 0.215 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.962 2.916 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.668 2.553 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.512 3.945 4.537 1.00 0.00 H new ATOM 959 N MET A 64 -0.092 5.044 5.832 1.00 0.00 N ATOM 960 CA MET A 64 0.328 6.471 5.952 1.00 0.00 C ATOM 961 C MET A 64 -0.360 7.127 7.159 1.00 0.00 C ATOM 962 O MET A 64 0.295 7.719 8.001 1.00 0.00 O ATOM 963 CB MET A 64 -0.052 7.222 4.667 1.00 0.00 C ATOM 964 CG MET A 64 0.432 8.676 4.745 1.00 0.00 C ATOM 965 SD MET A 64 -0.990 9.773 4.976 1.00 0.00 S ATOM 966 CE MET A 64 -0.058 11.294 5.276 1.00 0.00 C ATOM 0 H MET A 64 -0.793 4.859 5.115 1.00 0.00 H new ATOM 0 HA MET A 64 1.407 6.516 6.097 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.392 6.728 3.803 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.133 7.197 4.528 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.133 8.793 5.571 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.966 8.942 3.833 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.751 12.118 5.447 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.576 11.165 6.153 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.564 11.517 4.409 1.00 0.00 H new ATOM 976 N ASP A 65 -1.675 7.040 7.228 1.00 0.00 N ATOM 977 CA ASP A 65 -2.435 7.672 8.362 1.00 0.00 C ATOM 978 C ASP A 65 -2.400 6.795 9.625 1.00 0.00 C ATOM 979 O ASP A 65 -2.584 7.299 10.722 1.00 0.00 O ATOM 980 CB ASP A 65 -3.894 8.019 7.958 1.00 0.00 C ATOM 981 CG ASP A 65 -3.896 9.332 7.173 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.721 10.370 7.789 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.072 9.277 5.967 1.00 0.00 O ATOM 0 H ASP A 65 -2.255 6.556 6.543 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.932 8.610 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.317 7.218 7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.519 8.111 8.846 1.00 0.00 H new ATOM 988 N GLY A 66 -2.184 5.497 9.485 1.00 0.00 N ATOM 989 CA GLY A 66 -2.158 4.588 10.682 1.00 0.00 C ATOM 990 C GLY A 66 -3.593 4.175 11.060 1.00 0.00 C ATOM 991 O GLY A 66 -4.527 4.943 10.904 1.00 0.00 O ATOM 0 H GLY A 66 -2.025 5.032 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.561 3.702 10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.683 5.093 11.523 1.00 0.00 H new ATOM 995 N VAL A 67 -3.757 2.960 11.547 1.00 0.00 N ATOM 996 CA VAL A 67 -5.117 2.441 11.944 1.00 0.00 C ATOM 997 C VAL A 67 -5.139 2.103 13.438 1.00 0.00 C ATOM 998 O VAL A 67 -4.107 1.895 14.050 1.00 0.00 O ATOM 999 CB VAL A 67 -5.455 1.185 11.130 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.353 0.139 11.321 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.801 0.597 11.582 1.00 0.00 C ATOM 0 H VAL A 67 -2.996 2.296 11.688 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.858 3.214 11.742 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.526 1.459 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.594 -0.753 10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.401 0.547 10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.278 -0.122 12.377 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.025 -0.293 10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.746 0.330 12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.589 1.336 11.435 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.322 2.043 14.011 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.462 1.710 15.460 1.00 0.00 C ATOM 1013 C VAL A 68 -7.210 0.378 15.590 1.00 0.00 C ATOM 1014 O VAL A 68 -7.908 -0.053 14.687 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.210 2.833 16.203 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -7.543 2.400 17.644 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.313 4.071 16.257 1.00 0.00 C ATOM 0 H VAL A 68 -7.203 2.213 13.526 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.475 1.617 15.912 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.138 3.051 15.674 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.071 3.206 18.153 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.173 1.511 17.620 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.620 2.176 18.179 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.832 4.874 16.781 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.391 3.829 16.785 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.076 4.393 15.243 1.00 0.00 H new ATOM 1027 N THR A 69 -7.017 -0.270 16.709 1.00 0.00 N ATOM 1028 CA THR A 69 -7.637 -1.597 16.976 1.00 0.00 C ATOM 1029 C THR A 69 -8.568 -1.487 18.177 1.00 0.00 C ATOM 1030 O THR A 69 -8.482 -0.558 18.959 1.00 0.00 O ATOM 1031 CB THR A 69 -6.550 -2.640 17.249 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.669 -2.158 18.251 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.764 -2.911 15.965 1.00 0.00 C ATOM 0 H THR A 69 -6.436 0.080 17.471 1.00 0.00 H new ATOM 0 HA THR A 69 -8.209 -1.910 16.102 1.00 0.00 H new ATOM 0 HB THR A 69 -7.016 -3.565 17.590 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.071 -1.484 17.865 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.991 -3.654 16.162 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.440 -3.286 15.197 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.300 -1.987 15.620 1.00 0.00 H new ATOM 1041 N SER A 70 -9.477 -2.419 18.283 1.00 0.00 N ATOM 1042 CA SER A 70 -10.476 -2.426 19.392 1.00 0.00 C ATOM 1043 C SER A 70 -9.768 -2.580 20.733 1.00 0.00 C ATOM 1044 O SER A 70 -10.195 -2.035 21.739 1.00 0.00 O ATOM 1045 CB SER A 70 -11.432 -3.598 19.182 1.00 0.00 C ATOM 1046 OG SER A 70 -12.527 -3.480 20.082 1.00 0.00 O ATOM 0 H SER A 70 -9.571 -3.196 17.629 1.00 0.00 H new ATOM 0 HA SER A 70 -11.028 -1.486 19.393 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.792 -3.609 18.153 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.911 -4.541 19.347 1.00 0.00 H new ATOM 0 HG SER A 70 -13.143 -4.230 19.948 1.00 0.00 H new ATOM 1052 N SER A 71 -8.693 -3.318 20.736 1.00 0.00 N ATOM 1053 CA SER A 71 -7.905 -3.544 21.989 1.00 0.00 C ATOM 1054 C SER A 71 -7.331 -2.215 22.494 1.00 0.00 C ATOM 1055 O SER A 71 -6.942 -2.109 23.647 1.00 0.00 O ATOM 1056 CB SER A 71 -6.758 -4.510 21.700 1.00 0.00 C ATOM 1057 OG SER A 71 -6.123 -4.133 20.485 1.00 0.00 O ATOM 0 H SER A 71 -8.318 -3.784 19.910 1.00 0.00 H new ATOM 0 HA SER A 71 -8.560 -3.965 22.751 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.039 -4.495 22.519 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.136 -5.530 21.625 1.00 0.00 H new ATOM 0 HG SER A 71 -5.385 -4.750 20.297 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.261 -1.215 21.637 1.00 0.00 N ATOM 1064 CA GLY A 72 -6.694 0.109 22.044 1.00 0.00 C ATOM 1065 C GLY A 72 -5.244 0.219 21.540 1.00 0.00 C ATOM 1066 O GLY A 72 -4.509 1.091 21.973 1.00 0.00 O ATOM 0 H GLY A 72 -7.576 -1.265 20.668 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.297 0.918 21.631 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.723 0.212 23.129 1.00 0.00 H new ATOM 1070 N GLN A 73 -4.824 -0.661 20.634 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.421 -0.613 20.108 1.00 0.00 C ATOM 1072 C GLN A 73 -3.429 0.002 18.706 1.00 0.00 C ATOM 1073 O GLN A 73 -4.440 -0.010 18.040 1.00 0.00 O ATOM 1074 CB GLN A 73 -2.847 -2.033 20.054 1.00 0.00 C ATOM 1075 CG GLN A 73 -2.673 -2.575 21.481 1.00 0.00 C ATOM 1076 CD GLN A 73 -1.197 -2.512 21.886 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -0.423 -3.381 21.538 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -0.773 -1.515 22.615 1.00 0.00 N ATOM 0 H GLN A 73 -5.402 -1.406 20.244 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.801 -0.003 20.765 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.512 -2.683 19.486 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.888 -2.029 19.537 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.275 -1.991 22.177 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.030 -3.603 21.535 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.422 -0.785 22.908 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.208 -1.466 22.892 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.314 0.546 18.263 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.253 1.176 16.910 1.00 0.00 C ATOM 1089 C HIS A 74 -1.293 0.379 16.033 1.00 0.00 C ATOM 1090 O HIS A 74 -0.403 -0.294 16.529 1.00 0.00 O ATOM 1091 CB HIS A 74 -1.717 2.597 17.032 1.00 0.00 C ATOM 1092 CG HIS A 74 -2.802 3.544 17.472 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -2.910 4.824 16.950 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -3.821 3.427 18.387 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -3.957 5.420 17.548 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -4.548 4.613 18.432 1.00 0.00 N ATOM 0 H HIS A 74 -1.441 0.578 18.789 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.252 1.188 16.474 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.896 2.620 17.748 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.313 2.921 16.073 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.026 2.548 18.981 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.280 6.429 17.338 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.359 4.821 19.015 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.479 0.457 14.736 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.599 -0.289 13.786 1.00 0.00 C ATOM 1106 C GLU A 75 -0.296 0.572 12.566 1.00 0.00 C ATOM 1107 O GLU A 75 -0.729 1.711 12.480 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.286 -1.582 13.340 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.613 -2.444 14.560 1.00 0.00 C ATOM 1110 CD GLU A 75 -0.319 -3.007 15.152 1.00 0.00 C ATOM 1111 OE1 GLU A 75 0.396 -3.680 14.428 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -0.066 -2.755 16.319 1.00 0.00 O ATOM 0 H GLU A 75 -2.211 1.012 14.293 1.00 0.00 H new ATOM 0 HA GLU A 75 0.334 -0.533 14.294 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.200 -1.349 12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.638 -2.132 12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.138 -1.850 15.308 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.279 -3.258 14.275 1.00 0.00 H new ATOM 1119 N GLY A 76 0.465 0.035 11.629 1.00 0.00 N ATOM 1120 CA GLY A 76 0.838 0.803 10.399 1.00 0.00 C ATOM 1121 C GLY A 76 1.416 2.158 10.811 1.00 0.00 C ATOM 1122 O GLY A 76 2.007 2.288 11.871 1.00 0.00 O ATOM 0 H GLY A 76 0.844 -0.911 11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.569 0.245 9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.037 0.945 9.764 1.00 0.00 H new ATOM 1126 N ARG A 77 1.228 3.158 9.988 1.00 0.00 N ATOM 1127 CA ARG A 77 1.737 4.531 10.311 1.00 0.00 C ATOM 1128 C ARG A 77 3.266 4.512 10.501 1.00 0.00 C ATOM 1129 O ARG A 77 3.826 5.438 11.069 1.00 0.00 O ATOM 1130 CB ARG A 77 1.067 5.023 11.602 1.00 0.00 C ATOM 1131 CG ARG A 77 0.694 6.500 11.459 1.00 0.00 C ATOM 1132 CD ARG A 77 0.007 6.980 12.738 1.00 0.00 C ATOM 1133 NE ARG A 77 1.020 7.136 13.820 1.00 0.00 N ATOM 1134 CZ ARG A 77 1.358 8.327 14.233 1.00 0.00 C ATOM 1135 NH1 ARG A 77 1.806 9.211 13.384 1.00 0.00 N ATOM 1136 NH2 ARG A 77 1.248 8.634 15.497 1.00 0.00 N ATOM 0 H ARG A 77 0.739 3.084 9.096 1.00 0.00 H new ATOM 0 HA ARG A 77 1.498 5.201 9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.175 4.431 11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.742 4.889 12.447 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.587 7.095 11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.032 6.637 10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.497 7.930 12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.758 6.266 13.042 1.00 0.00 H new ATOM 0 HE ARG A 77 1.450 6.311 14.238 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.892 8.971 12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.070 10.141 13.708 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.898 7.943 16.161 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.512 9.565 15.821 1.00 0.00 H new ATOM 1150 N LEU A 78 3.939 3.477 10.030 1.00 0.00 N ATOM 1151 CA LEU A 78 5.426 3.393 10.175 1.00 0.00 C ATOM 1152 C LEU A 78 6.104 4.288 9.125 1.00 0.00 C ATOM 1153 O LEU A 78 7.266 4.633 9.263 1.00 0.00 O ATOM 1154 CB LEU A 78 5.870 1.940 9.996 1.00 0.00 C ATOM 1155 CG LEU A 78 5.131 1.061 11.010 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.400 -0.415 10.711 1.00 0.00 C ATOM 1157 CD2 LEU A 78 5.624 1.388 12.420 1.00 0.00 C ATOM 0 H LEU A 78 3.512 2.685 9.549 1.00 0.00 H new ATOM 0 HA LEU A 78 5.716 3.738 11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.657 1.604 8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.947 1.856 10.140 1.00 0.00 H new ATOM 0 HG LEU A 78 4.061 1.254 10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.872 -1.035 11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.050 -0.652 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.470 -0.611 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.099 0.763 13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.695 1.196 12.485 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.430 2.438 12.639 1.00 0.00 H new ATOM 1169 N LEU A 79 5.379 4.680 8.086 1.00 0.00 N ATOM 1170 CA LEU A 79 5.941 5.570 7.021 1.00 0.00 C ATOM 1171 C LEU A 79 6.571 6.809 7.696 1.00 0.00 C ATOM 1172 O LEU A 79 5.880 7.745 8.062 1.00 0.00 O ATOM 1173 CB LEU A 79 4.768 5.925 6.065 1.00 0.00 C ATOM 1174 CG LEU A 79 4.891 7.331 5.437 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.446 7.277 3.972 1.00 0.00 C ATOM 1176 CD2 LEU A 79 3.981 8.303 6.198 1.00 0.00 C ATOM 0 H LEU A 79 4.406 4.411 7.938 1.00 0.00 H new ATOM 0 HA LEU A 79 6.730 5.094 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.721 5.182 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.829 5.862 6.615 1.00 0.00 H new ATOM 0 HG LEU A 79 5.927 7.666 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.533 8.269 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.079 6.578 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.409 6.945 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.063 9.297 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.948 7.962 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.284 8.342 7.244 1.00 0.00 H new ATOM 1188 N GLN A 80 7.877 6.790 7.870 1.00 0.00 N ATOM 1189 CA GLN A 80 8.584 7.932 8.528 1.00 0.00 C ATOM 1190 C GLN A 80 9.906 8.208 7.816 1.00 0.00 C ATOM 1191 O GLN A 80 10.312 7.471 6.933 1.00 0.00 O ATOM 1192 CB GLN A 80 8.859 7.584 9.994 1.00 0.00 C ATOM 1193 CG GLN A 80 7.530 7.405 10.731 1.00 0.00 C ATOM 1194 CD GLN A 80 7.679 7.883 12.177 1.00 0.00 C ATOM 1195 OE1 GLN A 80 7.729 9.070 12.434 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.753 7.003 13.138 1.00 0.00 N ATOM 0 H GLN A 80 8.484 6.023 7.580 1.00 0.00 H new ATOM 0 HA GLN A 80 7.955 8.821 8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.449 6.670 10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.444 8.375 10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.745 7.970 10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.230 6.357 10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.711 6.007 12.922 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.853 7.311 14.105 1.00 0.00 H new ATOM 1205 N ASP A 81 10.559 9.283 8.196 1.00 0.00 N ATOM 1206 CA ASP A 81 11.852 9.671 7.562 1.00 0.00 C ATOM 1207 C ASP A 81 12.934 8.622 7.831 1.00 0.00 C ATOM 1208 O ASP A 81 13.542 8.585 8.889 1.00 0.00 O ATOM 1209 CB ASP A 81 12.313 11.020 8.114 1.00 0.00 C ATOM 1210 CG ASP A 81 11.293 12.101 7.747 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.434 12.684 6.685 1.00 0.00 O ATOM 1212 OD2 ASP A 81 10.389 12.327 8.534 1.00 0.00 O ATOM 0 H ASP A 81 10.241 9.915 8.931 1.00 0.00 H new ATOM 0 HA ASP A 81 11.694 9.741 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.423 10.963 9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.291 11.276 7.707 1.00 0.00 H new ATOM 1217 N LEU A 82 13.197 7.813 6.840 1.00 0.00 N ATOM 1218 CA LEU A 82 14.267 6.772 6.920 1.00 0.00 C ATOM 1219 C LEU A 82 15.615 7.472 6.622 1.00 0.00 C ATOM 1220 O LEU A 82 15.610 8.644 6.269 1.00 0.00 O ATOM 1221 CB LEU A 82 13.952 5.687 5.875 1.00 0.00 C ATOM 1222 CG LEU A 82 12.912 4.713 6.446 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.441 3.756 5.347 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.536 3.894 7.581 1.00 0.00 C ATOM 0 H LEU A 82 12.699 7.831 5.950 1.00 0.00 H new ATOM 0 HA LEU A 82 14.320 6.301 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.573 6.146 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.862 5.149 5.608 1.00 0.00 H new ATOM 0 HG LEU A 82 12.065 5.285 6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.703 3.066 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.992 4.328 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.292 3.192 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.794 3.204 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.386 3.329 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.873 4.565 8.371 1.00 0.00 H new ATOM 1236 N PRO A 83 16.739 6.779 6.773 1.00 0.00 N ATOM 1237 CA PRO A 83 18.055 7.401 6.522 1.00 0.00 C ATOM 1238 C PRO A 83 18.213 7.775 5.048 1.00 0.00 C ATOM 1239 O PRO A 83 18.518 6.946 4.206 1.00 0.00 O ATOM 1240 CB PRO A 83 19.066 6.350 6.993 1.00 0.00 C ATOM 1241 CG PRO A 83 18.316 5.003 7.007 1.00 0.00 C ATOM 1242 CD PRO A 83 16.823 5.347 7.173 1.00 0.00 C ATOM 0 HA PRO A 83 18.195 8.342 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 83 19.925 6.310 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.446 6.594 7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.488 4.451 6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.664 4.372 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.195 4.718 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.491 5.199 8.201 1.00 0.00 H new ATOM 1250 N GLY A 84 18.003 9.042 4.758 1.00 0.00 N ATOM 1251 CA GLY A 84 18.123 9.568 3.363 1.00 0.00 C ATOM 1252 C GLY A 84 16.770 9.495 2.627 1.00 0.00 C ATOM 1253 O GLY A 84 16.653 10.016 1.529 1.00 0.00 O ATOM 0 H GLY A 84 17.748 9.746 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.472 10.600 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.870 8.992 2.816 1.00 0.00 H new ATOM 1257 N CYS A 85 15.745 8.862 3.205 1.00 0.00 N ATOM 1258 CA CYS A 85 14.415 8.774 2.513 1.00 0.00 C ATOM 1259 C CYS A 85 13.332 9.505 3.338 1.00 0.00 C ATOM 1260 O CYS A 85 12.742 8.903 4.207 1.00 0.00 O ATOM 1261 CB CYS A 85 14.003 7.310 2.302 1.00 0.00 C ATOM 1262 SG CYS A 85 14.751 6.673 0.779 1.00 0.00 S ATOM 0 H CYS A 85 15.785 8.411 4.119 1.00 0.00 H new ATOM 0 HA CYS A 85 14.510 9.253 1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.320 6.707 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 85 12.917 7.233 2.244 1.00 0.00 H new ATOM 1267 N PRO A 86 13.095 10.787 3.070 1.00 0.00 N ATOM 1268 CA PRO A 86 12.090 11.561 3.834 1.00 0.00 C ATOM 1269 C PRO A 86 10.674 11.122 3.484 1.00 0.00 C ATOM 1270 O PRO A 86 10.454 10.485 2.470 1.00 0.00 O ATOM 1271 CB PRO A 86 12.318 13.011 3.395 1.00 0.00 C ATOM 1272 CG PRO A 86 13.061 12.947 2.044 1.00 0.00 C ATOM 1273 CD PRO A 86 13.751 11.570 1.988 1.00 0.00 C ATOM 0 HA PRO A 86 12.196 11.420 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.370 13.539 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.906 13.553 4.136 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.366 13.066 1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.793 13.751 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.616 11.096 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.825 11.656 2.154 1.00 0.00 H new ATOM 1281 N ARG A 87 9.704 11.490 4.312 1.00 0.00 N ATOM 1282 CA ARG A 87 8.275 11.147 4.044 1.00 0.00 C ATOM 1283 C ARG A 87 7.925 11.501 2.593 1.00 0.00 C ATOM 1284 O ARG A 87 7.052 10.905 1.992 1.00 0.00 O ATOM 1285 CB ARG A 87 7.386 12.001 4.946 1.00 0.00 C ATOM 1286 CG ARG A 87 7.711 11.746 6.420 1.00 0.00 C ATOM 1287 CD ARG A 87 6.485 11.166 7.133 1.00 0.00 C ATOM 1288 NE ARG A 87 5.539 12.265 7.481 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.860 13.140 8.398 1.00 0.00 C ATOM 1290 NH1 ARG A 87 6.235 12.740 9.582 1.00 0.00 N ATOM 1291 NH2 ARG A 87 5.799 14.416 8.130 1.00 0.00 N ATOM 0 H ARG A 87 9.857 12.020 5.170 1.00 0.00 H new ATOM 0 HA ARG A 87 8.122 10.083 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.530 13.056 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.338 11.772 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.550 11.055 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.015 12.676 6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.990 10.437 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.793 10.639 8.036 1.00 0.00 H new ATOM 0 HE ARG A 87 4.641 12.334 7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.278 11.743 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.485 13.424 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.501 14.729 7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.049 15.100 8.844 1.00 0.00 H new ATOM 1305 N GLN A 88 8.599 12.501 2.061 1.00 0.00 N ATOM 1306 CA GLN A 88 8.329 12.970 0.657 1.00 0.00 C ATOM 1307 C GLN A 88 8.463 11.819 -0.354 1.00 0.00 C ATOM 1308 O GLN A 88 7.597 11.624 -1.199 1.00 0.00 O ATOM 1309 CB GLN A 88 9.327 14.074 0.296 1.00 0.00 C ATOM 1310 CG GLN A 88 8.817 14.866 -0.923 1.00 0.00 C ATOM 1311 CD GLN A 88 9.828 14.798 -2.086 1.00 0.00 C ATOM 1312 OE1 GLN A 88 10.973 14.417 -1.912 1.00 0.00 O ATOM 1313 NE2 GLN A 88 9.444 15.163 -3.280 1.00 0.00 N ATOM 0 H GLN A 88 9.333 13.017 2.546 1.00 0.00 H new ATOM 0 HA GLN A 88 7.307 13.347 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.463 14.744 1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.301 13.637 0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.857 14.464 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.649 15.906 -0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.488 15.483 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.101 15.128 -4.060 1.00 0.00 H new ATOM 1322 N VAL A 89 9.542 11.071 -0.279 1.00 0.00 N ATOM 1323 CA VAL A 89 9.773 9.941 -1.221 1.00 0.00 C ATOM 1324 C VAL A 89 8.673 8.909 -1.037 1.00 0.00 C ATOM 1325 O VAL A 89 8.200 8.313 -1.992 1.00 0.00 O ATOM 1326 CB VAL A 89 11.131 9.334 -0.897 1.00 0.00 C ATOM 1327 CG1 VAL A 89 11.423 8.144 -1.822 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.186 10.409 -1.083 1.00 0.00 C ATOM 0 H VAL A 89 10.282 11.204 0.411 1.00 0.00 H new ATOM 0 HA VAL A 89 9.759 10.283 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 89 11.138 8.970 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.398 7.723 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.654 7.383 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.424 8.481 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.169 9.997 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.169 10.761 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.978 11.243 -0.412 1.00 0.00 H new ATOM 1338 N GLN A 90 8.262 8.719 0.189 1.00 0.00 N ATOM 1339 CA GLN A 90 7.168 7.742 0.488 1.00 0.00 C ATOM 1340 C GLN A 90 5.882 8.236 -0.177 1.00 0.00 C ATOM 1341 O GLN A 90 5.031 7.450 -0.557 1.00 0.00 O ATOM 1342 CB GLN A 90 6.926 7.626 2.005 1.00 0.00 C ATOM 1343 CG GLN A 90 8.245 7.649 2.802 1.00 0.00 C ATOM 1344 CD GLN A 90 9.204 6.573 2.285 1.00 0.00 C ATOM 1345 OE1 GLN A 90 8.793 5.477 1.958 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.478 6.843 2.206 1.00 0.00 N ATOM 0 H GLN A 90 8.639 9.202 1.004 1.00 0.00 H new ATOM 0 HA GLN A 90 7.458 6.763 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.289 8.447 2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.390 6.701 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.711 8.631 2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.040 7.484 3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.822 7.763 2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.130 6.134 1.870 1.00 0.00 H new ATOM 1355 N ARG A 91 5.745 9.542 -0.309 1.00 0.00 N ATOM 1356 CA ARG A 91 4.523 10.130 -0.941 1.00 0.00 C ATOM 1357 C ARG A 91 4.609 9.996 -2.468 1.00 0.00 C ATOM 1358 O ARG A 91 3.594 9.926 -3.139 1.00 0.00 O ATOM 1359 CB ARG A 91 4.404 11.613 -0.549 1.00 0.00 C ATOM 1360 CG ARG A 91 3.036 11.870 0.098 1.00 0.00 C ATOM 1361 CD ARG A 91 2.926 11.100 1.422 1.00 0.00 C ATOM 1362 NE ARG A 91 1.765 10.156 1.356 1.00 0.00 N ATOM 1363 CZ ARG A 91 0.553 10.546 1.687 1.00 0.00 C ATOM 1364 NH1 ARG A 91 0.237 11.817 1.736 1.00 0.00 N ATOM 1365 NH2 ARG A 91 -0.356 9.648 1.964 1.00 0.00 N ATOM 0 H ARG A 91 6.437 10.226 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 91 3.641 9.594 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.201 11.881 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.524 12.243 -1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.904 12.937 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.240 11.560 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.847 10.548 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.795 11.796 2.250 1.00 0.00 H new ATOM 0 HE ARG A 91 1.917 9.195 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.937 12.525 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.709 12.098 1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.122 8.656 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.299 9.939 2.222 1.00 0.00 H new ATOM 1379 N ALA A 92 5.810 9.966 -3.013 1.00 0.00 N ATOM 1380 CA ALA A 92 5.977 9.841 -4.498 1.00 0.00 C ATOM 1381 C ALA A 92 5.681 8.400 -4.937 1.00 0.00 C ATOM 1382 O ALA A 92 4.970 8.174 -5.903 1.00 0.00 O ATOM 1383 CB ALA A 92 7.414 10.209 -4.878 1.00 0.00 C ATOM 0 H ALA A 92 6.682 10.023 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 92 5.282 10.515 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.539 10.119 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.620 11.235 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.107 9.535 -4.375 1.00 0.00 H new ATOM 1389 N PHE A 93 6.236 7.438 -4.236 1.00 0.00 N ATOM 1390 CA PHE A 93 6.026 5.993 -4.577 1.00 0.00 C ATOM 1391 C PHE A 93 4.650 5.515 -4.082 1.00 0.00 C ATOM 1392 O PHE A 93 4.115 4.543 -4.591 1.00 0.00 O ATOM 1393 CB PHE A 93 7.145 5.164 -3.926 1.00 0.00 C ATOM 1394 CG PHE A 93 6.920 3.685 -4.165 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.027 2.973 -3.353 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.606 3.031 -5.192 1.00 0.00 C ATOM 1397 CE1 PHE A 93 5.822 1.607 -3.570 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.402 1.664 -5.409 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.511 0.952 -4.598 1.00 0.00 C ATOM 0 H PHE A 93 6.837 7.597 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 93 6.055 5.866 -5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.111 5.461 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.177 5.364 -2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.497 3.479 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.293 3.581 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.133 1.058 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.932 1.158 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.355 -0.103 -4.765 1.00 0.00 H new ATOM 1409 N ALA A 94 4.107 6.156 -3.069 1.00 0.00 N ATOM 1410 CA ALA A 94 2.791 5.726 -2.494 1.00 0.00 C ATOM 1411 C ALA A 94 1.708 5.561 -3.588 1.00 0.00 C ATOM 1412 O ALA A 94 1.087 4.517 -3.646 1.00 0.00 O ATOM 1413 CB ALA A 94 2.323 6.757 -1.465 1.00 0.00 C ATOM 0 H ALA A 94 4.526 6.967 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 94 2.936 4.755 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.366 6.445 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.060 6.834 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.208 7.727 -1.948 1.00 0.00 H new ATOM 1419 N PRO A 95 1.494 6.579 -4.418 1.00 0.00 N ATOM 1420 CA PRO A 95 0.470 6.519 -5.491 1.00 0.00 C ATOM 1421 C PRO A 95 0.900 5.567 -6.614 1.00 0.00 C ATOM 1422 O PRO A 95 0.080 5.137 -7.410 1.00 0.00 O ATOM 1423 CB PRO A 95 0.355 7.966 -5.978 1.00 0.00 C ATOM 1424 CG PRO A 95 1.663 8.670 -5.563 1.00 0.00 C ATOM 1425 CD PRO A 95 2.241 7.861 -4.386 1.00 0.00 C ATOM 0 HA PRO A 95 -0.486 6.129 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.220 8.002 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.509 8.458 -5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.367 8.702 -6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.471 9.702 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.313 7.700 -4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.098 8.381 -3.438 1.00 0.00 H new ATOM 1433 N LYS A 96 2.172 5.221 -6.667 1.00 0.00 N ATOM 1434 CA LYS A 96 2.674 4.276 -7.715 1.00 0.00 C ATOM 1435 C LYS A 96 2.515 2.817 -7.237 1.00 0.00 C ATOM 1436 O LYS A 96 3.065 1.908 -7.839 1.00 0.00 O ATOM 1437 CB LYS A 96 4.155 4.561 -7.983 1.00 0.00 C ATOM 1438 CG LYS A 96 4.334 6.025 -8.400 1.00 0.00 C ATOM 1439 CD LYS A 96 4.466 6.119 -9.925 1.00 0.00 C ATOM 1440 CE LYS A 96 3.137 6.578 -10.531 1.00 0.00 C ATOM 1441 NZ LYS A 96 3.089 6.192 -11.970 1.00 0.00 N ATOM 0 H LYS A 96 2.886 5.559 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 96 2.095 4.416 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.742 4.353 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.526 3.902 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.482 6.615 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.220 6.443 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.258 6.820 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.748 5.150 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.304 6.125 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.032 7.658 -10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.187 6.503 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.876 6.644 -12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.171 5.159 -12.055 1.00 0.00 H new ATOM 1455 N LEU A 97 1.787 2.593 -6.153 1.00 0.00 N ATOM 1456 CA LEU A 97 1.602 1.200 -5.606 1.00 0.00 C ATOM 1457 C LEU A 97 0.664 0.363 -6.505 1.00 0.00 C ATOM 1458 O LEU A 97 1.070 -0.670 -7.016 1.00 0.00 O ATOM 1459 CB LEU A 97 1.006 1.296 -4.193 1.00 0.00 C ATOM 1460 CG LEU A 97 1.970 0.676 -3.178 1.00 0.00 C ATOM 1461 CD1 LEU A 97 1.804 1.369 -1.824 1.00 0.00 C ATOM 1462 CD2 LEU A 97 1.658 -0.814 -3.026 1.00 0.00 C ATOM 0 H LEU A 97 1.311 3.323 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 97 2.573 0.705 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.817 2.339 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.046 0.781 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 97 2.995 0.802 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.491 0.927 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.023 2.431 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.779 1.243 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.343 -1.257 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.633 -0.937 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.775 -1.310 -3.989 1.00 0.00 H new ATOM 1474 N VAL A 98 -0.583 0.773 -6.699 1.00 0.00 N ATOM 1475 CA VAL A 98 -1.516 -0.021 -7.562 1.00 0.00 C ATOM 1476 C VAL A 98 -1.414 0.434 -9.026 1.00 0.00 C ATOM 1477 O VAL A 98 -2.350 0.278 -9.797 1.00 0.00 O ATOM 1478 CB VAL A 98 -2.947 0.153 -7.054 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -2.990 -0.184 -5.569 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -3.424 1.600 -7.259 1.00 0.00 C ATOM 0 H VAL A 98 -0.984 1.620 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.239 -1.074 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.604 -0.513 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.008 -0.063 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.670 -1.215 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.323 0.485 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.445 1.702 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.771 2.279 -6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.395 1.846 -8.321 1.00 0.00 H new ATOM 1490 N THR A 99 -0.292 0.987 -9.407 1.00 0.00 N ATOM 1491 CA THR A 99 -0.110 1.444 -10.818 1.00 0.00 C ATOM 1492 C THR A 99 0.682 0.382 -11.580 1.00 0.00 C ATOM 1493 O THR A 99 1.148 -0.576 -10.987 1.00 0.00 O ATOM 1494 CB THR A 99 0.649 2.781 -10.843 1.00 0.00 C ATOM 1495 OG1 THR A 99 2.007 2.578 -10.466 1.00 0.00 O ATOM 1496 CG2 THR A 99 0.002 3.747 -9.863 1.00 0.00 C ATOM 0 H THR A 99 0.511 1.143 -8.798 1.00 0.00 H new ATOM 0 HA THR A 99 -1.083 1.587 -11.288 1.00 0.00 H new ATOM 0 HB THR A 99 0.611 3.192 -11.852 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.520 3.395 -10.638 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.539 4.696 -9.879 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.037 3.913 -10.148 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.040 3.326 -8.858 1.00 0.00 H new ATOM 1504 N GLU A 100 0.834 0.528 -12.884 1.00 0.00 N ATOM 1505 CA GLU A 100 1.599 -0.486 -13.672 1.00 0.00 C ATOM 1506 C GLU A 100 3.070 -0.608 -13.193 1.00 0.00 C ATOM 1507 O GLU A 100 3.807 -1.403 -13.755 1.00 0.00 O ATOM 1508 CB GLU A 100 1.580 -0.075 -15.150 1.00 0.00 C ATOM 1509 CG GLU A 100 1.167 -1.268 -16.020 1.00 0.00 C ATOM 1510 CD GLU A 100 0.269 -0.783 -17.159 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -0.814 -0.303 -16.870 1.00 0.00 O ATOM 1512 OE2 GLU A 100 0.682 -0.898 -18.302 1.00 0.00 O ATOM 0 H GLU A 100 0.460 1.305 -13.428 1.00 0.00 H new ATOM 0 HA GLU A 100 1.125 -1.457 -13.529 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.885 0.751 -15.297 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.566 0.281 -15.450 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.052 -1.760 -16.425 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.640 -2.007 -15.416 1.00 0.00 H new ATOM 1519 N VAL A 101 3.525 0.155 -12.188 1.00 0.00 N ATOM 1520 CA VAL A 101 4.949 0.036 -11.746 1.00 0.00 C ATOM 1521 C VAL A 101 5.083 -0.954 -10.577 1.00 0.00 C ATOM 1522 O VAL A 101 6.184 -1.169 -10.095 1.00 0.00 O ATOM 1523 CB VAL A 101 5.467 1.411 -11.312 1.00 0.00 C ATOM 1524 CG1 VAL A 101 6.972 1.327 -11.047 1.00 0.00 C ATOM 1525 CG2 VAL A 101 5.210 2.434 -12.422 1.00 0.00 C ATOM 0 H VAL A 101 2.966 0.838 -11.676 1.00 0.00 H new ATOM 0 HA VAL A 101 5.539 -0.337 -12.583 1.00 0.00 H new ATOM 0 HB VAL A 101 4.948 1.720 -10.405 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.342 2.305 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.162 0.601 -10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.485 1.016 -11.957 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.580 3.411 -12.109 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.727 2.124 -13.330 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.140 2.497 -12.618 1.00 0.00 H new ATOM 1535 N GLU A 102 3.991 -1.551 -10.107 1.00 0.00 N ATOM 1536 CA GLU A 102 4.110 -2.515 -8.958 1.00 0.00 C ATOM 1537 C GLU A 102 3.074 -3.660 -9.049 1.00 0.00 C ATOM 1538 O GLU A 102 3.372 -4.698 -9.622 1.00 0.00 O ATOM 1539 CB GLU A 102 3.964 -1.744 -7.643 1.00 0.00 C ATOM 1540 CG GLU A 102 4.124 -2.696 -6.453 1.00 0.00 C ATOM 1541 CD GLU A 102 4.798 -1.958 -5.296 1.00 0.00 C ATOM 1542 OE1 GLU A 102 4.197 -1.025 -4.786 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.904 -2.334 -4.943 1.00 0.00 O ATOM 0 H GLU A 102 3.046 -1.411 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 102 5.092 -2.985 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.714 -0.955 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.988 -1.260 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.150 -3.071 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.721 -3.561 -6.743 1.00 0.00 H new ATOM 1550 N CYS A 103 1.890 -3.510 -8.462 1.00 0.00 N ATOM 1551 CA CYS A 103 0.877 -4.631 -8.491 1.00 0.00 C ATOM 1552 C CYS A 103 -0.546 -4.076 -8.792 1.00 0.00 C ATOM 1553 O CYS A 103 -1.510 -4.435 -8.126 1.00 0.00 O ATOM 1554 CB CYS A 103 0.887 -5.322 -7.113 1.00 0.00 C ATOM 1555 SG CYS A 103 2.535 -5.990 -6.758 1.00 0.00 S ATOM 0 H CYS A 103 1.589 -2.668 -7.971 1.00 0.00 H new ATOM 0 HA CYS A 103 1.136 -5.341 -9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.601 -4.610 -6.339 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.150 -6.125 -7.095 1.00 0.00 H new ATOM 1560 N ASN A 104 -0.686 -3.191 -9.776 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.028 -2.591 -10.114 1.00 0.00 C ATOM 1562 C ASN A 104 -3.160 -3.627 -10.130 1.00 0.00 C ATOM 1563 O ASN A 104 -4.003 -3.630 -9.248 1.00 0.00 O ATOM 1564 CB ASN A 104 -1.948 -1.917 -11.494 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.281 -1.237 -11.868 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.249 -1.281 -11.128 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -3.367 -0.600 -13.004 1.00 0.00 N ATOM 0 H ASN A 104 0.083 -2.861 -10.360 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.261 -1.867 -9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.148 -1.176 -11.493 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.693 -2.660 -12.249 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.240 -0.143 -13.268 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.561 -0.559 -13.628 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.198 -4.480 -11.135 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.300 -5.500 -11.232 1.00 0.00 C ATOM 1576 C LEU A 105 -5.694 -4.817 -11.094 1.00 0.00 C ATOM 1577 O LEU A 105 -6.621 -5.394 -10.544 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.115 -6.536 -10.115 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.952 -7.466 -10.463 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -1.664 -6.925 -9.838 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.238 -8.866 -9.910 1.00 0.00 C ATOM 0 H LEU A 105 -2.514 -4.513 -11.891 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.254 -5.988 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.920 -6.033 -9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.030 -7.114 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.837 -7.518 -11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.834 -7.587 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.461 -5.928 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.778 -6.875 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.410 -9.531 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.351 -8.813 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.157 -9.251 -10.352 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.843 -3.597 -11.598 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.153 -2.865 -11.514 1.00 0.00 C ATOM 1595 C ALA A 106 -7.505 -2.603 -10.049 1.00 0.00 C ATOM 1596 O ALA A 106 -7.159 -3.380 -9.181 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.255 -3.705 -12.165 1.00 0.00 C ATOM 0 H ALA A 106 -5.100 -3.079 -12.067 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.067 -1.914 -12.039 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.204 -3.172 -12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.007 -3.883 -13.211 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.340 -4.659 -11.645 1.00 0.00 H new ATOM 1603 N THR A 107 -8.185 -1.504 -9.784 1.00 0.00 N ATOM 1604 CA THR A 107 -8.571 -1.145 -8.374 1.00 0.00 C ATOM 1605 C THR A 107 -10.108 -1.032 -8.302 1.00 0.00 C ATOM 1606 O THR A 107 -10.804 -1.470 -9.206 1.00 0.00 O ATOM 1607 CB THR A 107 -7.915 0.210 -7.980 1.00 0.00 C ATOM 1608 OG1 THR A 107 -8.683 1.303 -8.477 1.00 0.00 O ATOM 1609 CG2 THR A 107 -6.514 0.315 -8.583 1.00 0.00 C ATOM 0 H THR A 107 -8.491 -0.836 -10.491 1.00 0.00 H new ATOM 0 HA THR A 107 -8.225 -1.912 -7.681 1.00 0.00 H new ATOM 0 HB THR A 107 -7.867 0.248 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.130 2.112 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.066 1.268 -8.300 1.00 0.00 H new ATOM 0 HG22 THR A 107 -5.895 -0.502 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.580 0.254 -9.669 1.00 0.00 H new ATOM 1617 N ILE A 108 -10.632 -0.426 -7.251 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.118 -0.250 -7.124 1.00 0.00 C ATOM 1619 C ILE A 108 -12.585 0.745 -8.198 1.00 0.00 C ATOM 1620 O ILE A 108 -13.698 0.661 -8.691 1.00 0.00 O ATOM 1621 CB ILE A 108 -12.465 0.273 -5.719 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -13.983 0.442 -5.591 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -11.784 1.624 -5.471 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -14.421 0.085 -4.169 1.00 0.00 C ATOM 0 H ILE A 108 -10.089 -0.046 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.623 -1.205 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.111 -0.447 -4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.266 1.469 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -14.492 -0.199 -6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.038 1.982 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.703 1.507 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.126 2.345 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -15.501 0.206 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.153 -0.949 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -13.922 0.744 -3.458 1.00 0.00 H new ATOM 1636 N HIS A 109 -11.724 1.677 -8.554 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.052 2.703 -9.594 1.00 0.00 C ATOM 1638 C HIS A 109 -12.099 2.086 -11.007 1.00 0.00 C ATOM 1639 O HIS A 109 -12.343 2.796 -11.971 1.00 0.00 O ATOM 1640 CB HIS A 109 -10.974 3.786 -9.558 1.00 0.00 C ATOM 1641 CG HIS A 109 -10.981 4.474 -8.223 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -10.224 4.289 -7.092 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -11.835 5.526 -7.939 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -10.601 5.212 -6.121 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -11.573 5.934 -6.685 1.00 0.00 N flip ATOM 0 H HIS A 109 -10.789 1.767 -8.156 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.036 3.118 -9.376 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -9.995 3.343 -9.743 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -11.150 4.512 -10.352 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -9.496 3.583 -6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -12.577 5.943 -8.604 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -10.195 5.321 -5.126 1.00 0.00 H new ATOM 1653 N GLY A 110 -11.872 0.786 -11.149 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.907 0.144 -12.501 1.00 0.00 C ATOM 1655 C GLY A 110 -10.839 0.774 -13.395 1.00 0.00 C ATOM 1656 O GLY A 110 -11.051 0.952 -14.584 1.00 0.00 O ATOM 0 H GLY A 110 -11.665 0.150 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.734 -0.928 -12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.892 0.271 -12.950 1.00 0.00 H new ATOM 1660 N GLY A 111 -9.698 1.112 -12.826 1.00 0.00 N ATOM 1661 CA GLY A 111 -8.596 1.737 -13.626 1.00 0.00 C ATOM 1662 C GLY A 111 -7.301 1.797 -12.793 1.00 0.00 C ATOM 1663 O GLY A 111 -7.318 1.473 -11.619 1.00 0.00 O ATOM 0 H GLY A 111 -9.486 0.979 -11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.425 1.161 -14.536 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.885 2.742 -13.934 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.207 2.216 -13.424 1.00 0.00 N ATOM 1668 CA PRO A 112 -4.892 2.330 -12.753 1.00 0.00 C ATOM 1669 C PRO A 112 -4.837 3.601 -11.889 1.00 0.00 C ATOM 1670 O PRO A 112 -4.247 4.603 -12.274 1.00 0.00 O ATOM 1671 CB PRO A 112 -3.894 2.408 -13.924 1.00 0.00 C ATOM 1672 CG PRO A 112 -4.694 2.893 -15.153 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.177 2.613 -14.857 1.00 0.00 C ATOM 0 HA PRO A 112 -4.680 1.501 -12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.081 3.096 -13.695 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.443 1.434 -14.115 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.529 3.956 -15.327 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.374 2.369 -16.054 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -6.790 3.496 -15.036 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.566 1.820 -15.496 1.00 0.00 H new ATOM 1681 N PHE A 113 -5.441 3.558 -10.716 1.00 0.00 N ATOM 1682 CA PHE A 113 -5.427 4.749 -9.797 1.00 0.00 C ATOM 1683 C PHE A 113 -6.304 4.511 -8.557 1.00 0.00 C ATOM 1684 O PHE A 113 -7.113 3.600 -8.518 1.00 0.00 O ATOM 1685 CB PHE A 113 -5.912 6.025 -10.526 1.00 0.00 C ATOM 1686 CG PHE A 113 -7.240 5.846 -11.274 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -8.016 4.673 -11.173 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -7.696 6.899 -12.082 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -9.225 4.568 -11.869 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -8.908 6.789 -12.774 1.00 0.00 C ATOM 1691 CZ PHE A 113 -9.672 5.623 -12.669 1.00 0.00 C ATOM 0 H PHE A 113 -5.944 2.746 -10.357 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.394 4.890 -9.479 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.022 6.828 -9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.146 6.340 -11.235 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.676 3.854 -10.557 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.108 7.800 -12.171 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.816 3.667 -11.788 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.253 7.606 -13.390 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.606 5.538 -13.205 1.00 0.00 H new ATOM 1701 N CYS A 114 -6.136 5.348 -7.547 1.00 0.00 N ATOM 1702 CA CYS A 114 -6.940 5.234 -6.284 1.00 0.00 C ATOM 1703 C CYS A 114 -6.444 6.279 -5.277 1.00 0.00 C ATOM 1704 O CYS A 114 -5.378 6.844 -5.442 1.00 0.00 O ATOM 1705 CB CYS A 114 -6.776 3.839 -5.668 1.00 0.00 C ATOM 1706 SG CYS A 114 -8.247 3.430 -4.689 1.00 0.00 S ATOM 0 H CYS A 114 -5.464 6.115 -7.550 1.00 0.00 H new ATOM 0 HA CYS A 114 -7.991 5.400 -6.520 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -6.632 3.098 -6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.888 3.811 -5.037 1.00 0.00 H new ATOM 1711 N LEU A 115 -7.215 6.525 -4.230 1.00 0.00 N ATOM 1712 CA LEU A 115 -6.830 7.523 -3.168 1.00 0.00 C ATOM 1713 C LEU A 115 -7.037 8.956 -3.681 1.00 0.00 C ATOM 1714 O LEU A 115 -8.016 9.598 -3.333 1.00 0.00 O ATOM 1715 CB LEU A 115 -5.363 7.322 -2.737 1.00 0.00 C ATOM 1716 CG LEU A 115 -5.287 7.185 -1.210 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -5.186 5.706 -0.829 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -4.055 7.930 -0.689 1.00 0.00 C ATOM 0 H LEU A 115 -8.111 6.066 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.471 7.363 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.953 6.431 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.758 8.167 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.186 7.612 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.132 5.613 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.064 5.175 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.289 5.276 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.002 7.832 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.157 7.505 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.128 8.985 -0.955 1.00 0.00 H new ATOM 1730 N SER A 116 -6.125 9.464 -4.495 1.00 0.00 N ATOM 1731 CA SER A 116 -6.254 10.863 -5.028 1.00 0.00 C ATOM 1732 C SER A 116 -7.624 11.036 -5.711 1.00 0.00 C ATOM 1733 O SER A 116 -8.581 11.411 -5.060 1.00 0.00 O ATOM 1734 CB SER A 116 -5.113 11.150 -6.016 1.00 0.00 C ATOM 1735 OG SER A 116 -4.847 9.985 -6.788 1.00 0.00 O ATOM 0 H SER A 116 -5.295 8.963 -4.811 1.00 0.00 H new ATOM 0 HA SER A 116 -6.186 11.574 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.385 11.978 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.217 11.452 -5.474 1.00 0.00 H new ATOM 0 HG SER A 116 -4.120 10.170 -7.419 1.00 0.00 H new ATOM 1741 N LEU A 117 -7.723 10.752 -7.001 1.00 0.00 N ATOM 1742 CA LEU A 117 -9.027 10.882 -7.741 1.00 0.00 C ATOM 1743 C LEU A 117 -9.646 12.277 -7.509 1.00 0.00 C ATOM 1744 O LEU A 117 -9.405 13.191 -8.281 1.00 0.00 O ATOM 1745 CB LEU A 117 -9.988 9.778 -7.271 1.00 0.00 C ATOM 1746 CG LEU A 117 -10.081 8.661 -8.322 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -10.641 9.226 -9.628 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -8.694 8.059 -8.578 1.00 0.00 C ATOM 0 H LEU A 117 -6.943 10.432 -7.575 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.847 10.770 -8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -9.642 9.366 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.977 10.200 -7.092 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.745 7.881 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.705 8.431 -10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -11.635 9.637 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.983 10.013 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.773 7.269 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.022 8.836 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.301 7.644 -7.650 1.00 0.00 H new ATOM 1760 N LEU A 118 -10.445 12.443 -6.465 1.00 0.00 N ATOM 1761 CA LEU A 118 -11.091 13.769 -6.184 1.00 0.00 C ATOM 1762 C LEU A 118 -10.074 14.933 -6.157 1.00 0.00 C ATOM 1763 O LEU A 118 -10.471 16.081 -6.273 1.00 0.00 O ATOM 1764 CB LEU A 118 -11.847 13.712 -4.851 1.00 0.00 C ATOM 1765 CG LEU A 118 -13.230 13.093 -5.070 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -13.082 11.634 -5.507 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -14.024 13.153 -3.764 1.00 0.00 C ATOM 0 H LEU A 118 -10.674 11.708 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.786 13.964 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.284 13.122 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.948 14.715 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.755 13.650 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.069 11.198 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.516 11.588 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.555 11.074 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.009 12.713 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.494 12.597 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.135 14.192 -3.453 1.00 0.00 H new ATOM 1779 N GLY A 119 -8.784 14.665 -6.012 1.00 0.00 N ATOM 1780 CA GLY A 119 -7.767 15.764 -5.985 1.00 0.00 C ATOM 1781 C GLY A 119 -6.936 15.714 -7.269 1.00 0.00 C ATOM 1782 O GLY A 119 -6.797 14.665 -7.879 1.00 0.00 O ATOM 0 H GLY A 119 -8.400 13.725 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.262 16.731 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.120 15.655 -5.115 1.00 0.00 H new ATOM 1786 N ALA A 120 -6.387 16.840 -7.677 1.00 0.00 N ATOM 1787 CA ALA A 120 -5.555 16.893 -8.925 1.00 0.00 C ATOM 1788 C ALA A 120 -6.374 16.373 -10.121 1.00 0.00 C ATOM 1789 O ALA A 120 -6.093 15.323 -10.688 1.00 0.00 O ATOM 1790 CB ALA A 120 -4.293 16.047 -8.727 1.00 0.00 C ATOM 0 H ALA A 120 -6.482 17.732 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.263 17.923 -9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.686 16.083 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.719 16.441 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.576 15.015 -8.520 1.00 0.00 H new ATOM 1796 N GLY A 121 -7.384 17.120 -10.506 1.00 0.00 N ATOM 1797 CA GLY A 121 -8.245 16.723 -11.664 1.00 0.00 C ATOM 1798 C GLY A 121 -7.398 16.664 -12.939 1.00 0.00 C ATOM 1799 O GLY A 121 -7.763 16.000 -13.895 1.00 0.00 O ATOM 0 H GLY A 121 -7.650 17.998 -10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -8.702 15.752 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.057 17.439 -11.788 1.00 0.00 H new ATOM 1803 N GLU A 122 -6.273 17.357 -12.955 1.00 0.00 N ATOM 1804 CA GLU A 122 -5.386 17.357 -14.161 1.00 0.00 C ATOM 1805 C GLU A 122 -4.029 17.967 -13.799 1.00 0.00 C ATOM 1806 O GLU A 122 -3.054 17.621 -14.446 1.00 0.00 O ATOM 1807 CB GLU A 122 -6.037 18.186 -15.272 1.00 0.00 C ATOM 1808 CG GLU A 122 -6.406 19.569 -14.733 1.00 0.00 C ATOM 1809 CD GLU A 122 -7.832 19.537 -14.179 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -8.732 19.209 -14.935 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -7.999 19.842 -13.010 1.00 0.00 O ATOM 1812 OXT GLU A 122 -3.987 18.770 -12.880 1.00 0.00 O ATOM 0 H GLU A 122 -5.935 17.923 -12.177 1.00 0.00 H new ATOM 0 HA GLU A 122 -5.243 16.333 -14.506 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.353 18.284 -16.115 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -6.928 17.680 -15.642 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -5.707 19.864 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.329 20.313 -15.526 1.00 0.00 H new TER 1819 GLU A 122