USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 813 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 64 LYS NZ :NH3+ -175:sc= 1.44 (180deg=0.209) USER MOD Set 1.2: A 65 TYR OH : rot 30:sc= 0.844 USER MOD Set 2.1: A 40 SER OG : rot -15:sc= 0.751 USER MOD Set 2.2: A 107 GLN : amide:sc= -1.96 K(o=-1.2,f=0.2) USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 42 GLN : amide:sc= -5.07 K(o=-5.1,f=-0.91) USER MOD Set 4.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 31 GLN : amide:sc= 1.21 K(o=1.2,f=-0.038) USER MOD Single : A 1 SER N :NH3+ -122:sc= 0.105 (180deg=-0.00623) USER MOD Single : A 1 SER OG : rot 140:sc= 0.0631 USER MOD Single : A 3 THR OG1 : rot -110:sc= -0.402 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc=-0.00439 USER MOD Single : A 19 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.13) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.576 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 70:sc= -1.22 USER MOD Single : A 35 MET CE :methyl -151:sc= -1.66 (180deg=-4.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -127:sc= -1.49 (180deg=-5.59!) USER MOD Single : A 41 SER OG : rot -37:sc= 0.12 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.017 (180deg=-0.192) USER MOD Single : A 52 ASN : amide:sc= -0.0709 K(o=-0.071,f=-0.97) USER MOD Single : A 54 GLN : amide:sc= -0.924 K(o=-0.92,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.0093) USER MOD Single : A 72 SER OG : rot -51:sc= 0.0091 USER MOD Single : A 78 THR OG1 : rot -80:sc= 0.638 USER MOD Single : A 80 SER OG : rot -150:sc= 1.22 USER MOD Single : A 82 THR OG1 : rot -74:sc= 0.74 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -55:sc= 0.89 USER MOD Single : A 91 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.19) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -4.29 X(o=-4.3,f=-4.5!) USER MOD Single : A 105 MET CE :methyl 175:sc= -2.79 (180deg=-2.89) USER MOD Single : A 108 SER OG : rot -55:sc= 0.626 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.797 1.095 -2.885 1.00 0.00 N ATOM 2 CA SER A 1 2.452 -0.064 -2.070 1.00 0.00 C ATOM 3 C SER A 1 2.818 -1.360 -2.786 1.00 0.00 C ATOM 4 O SER A 1 3.491 -1.344 -3.818 1.00 0.00 O ATOM 5 CB SER A 1 0.959 -0.055 -1.739 1.00 0.00 C ATOM 6 OG SER A 1 0.700 -0.750 -0.531 1.00 0.00 O ATOM 0 H1 SER A 1 3.453 1.706 -2.359 1.00 0.00 H new ATOM 0 H2 SER A 1 3.250 0.778 -3.766 1.00 0.00 H new ATOM 0 H3 SER A 1 1.934 1.629 -3.113 1.00 0.00 H new ATOM 0 HA SER A 1 3.023 -0.008 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.609 0.974 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.400 -0.515 -2.554 1.00 0.00 H new ATOM 0 HG SER A 1 0.022 -0.267 -0.015 1.00 0.00 H new ATOM 12 N LEU A 2 2.371 -2.482 -2.232 1.00 0.00 N ATOM 13 CA LEU A 2 2.651 -3.788 -2.817 1.00 0.00 C ATOM 14 C LEU A 2 1.414 -4.680 -2.773 1.00 0.00 C ATOM 15 O LEU A 2 0.921 -5.129 -3.809 1.00 0.00 O ATOM 16 CB LEU A 2 3.807 -4.463 -2.078 1.00 0.00 C ATOM 17 CG LEU A 2 4.241 -5.829 -2.613 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.400 -5.678 -3.585 1.00 0.00 C ATOM 19 CD2 LEU A 2 4.620 -6.755 -1.466 1.00 0.00 C ATOM 0 H LEU A 2 1.813 -2.513 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 2 2.933 -3.639 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.668 -3.795 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.525 -4.578 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 2 3.401 -6.272 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.695 -6.660 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.093 -5.052 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.244 -5.214 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.926 -7.722 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.444 -6.318 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.761 -6.889 -0.808 1.00 0.00 H new ATOM 31 N THR A 3 0.916 -4.934 -1.567 1.00 0.00 N ATOM 32 CA THR A 3 -0.263 -5.771 -1.388 1.00 0.00 C ATOM 33 C THR A 3 -1.469 -4.939 -0.965 1.00 0.00 C ATOM 34 O THR A 3 -2.216 -5.323 -0.065 1.00 0.00 O ATOM 35 CB THR A 3 -0.018 -6.869 -0.336 1.00 0.00 C ATOM 36 OG1 THR A 3 0.207 -6.276 0.948 1.00 0.00 O ATOM 37 CG2 THR A 3 1.177 -7.728 -0.719 1.00 0.00 C ATOM 0 H THR A 3 1.311 -4.572 -0.699 1.00 0.00 H new ATOM 0 HA THR A 3 -0.467 -6.239 -2.351 1.00 0.00 H new ATOM 0 HB THR A 3 -0.903 -7.504 -0.293 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.145 -6.397 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.331 -8.496 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.991 -8.201 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.067 -7.103 -0.788 1.00 0.00 H new ATOM 45 N ASP A 4 -1.654 -3.798 -1.621 1.00 0.00 N ATOM 46 CA ASP A 4 -2.771 -2.913 -1.315 1.00 0.00 C ATOM 47 C ASP A 4 -4.067 -3.443 -1.920 1.00 0.00 C ATOM 48 O ASP A 4 -4.936 -3.945 -1.207 1.00 0.00 O ATOM 49 CB ASP A 4 -2.489 -1.503 -1.836 1.00 0.00 C ATOM 50 CG ASP A 4 -3.730 -0.632 -1.850 1.00 0.00 C ATOM 51 OD1 ASP A 4 -4.047 -0.034 -0.801 1.00 0.00 O ATOM 52 OD2 ASP A 4 -4.385 -0.549 -2.910 1.00 0.00 O ATOM 0 H ASP A 4 -1.044 -3.465 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.887 -2.876 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.727 -1.034 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.082 -1.566 -2.845 1.00 0.00 H new ATOM 57 N ILE A 5 -4.189 -3.326 -3.238 1.00 0.00 N ATOM 58 CA ILE A 5 -5.379 -3.794 -3.939 1.00 0.00 C ATOM 59 C ILE A 5 -5.613 -5.280 -3.693 1.00 0.00 C ATOM 60 O ILE A 5 -6.742 -5.765 -3.782 1.00 0.00 O ATOM 61 CB ILE A 5 -5.273 -3.546 -5.455 1.00 0.00 C ATOM 62 CG1 ILE A 5 -6.651 -3.228 -6.039 1.00 0.00 C ATOM 63 CG2 ILE A 5 -4.664 -4.756 -6.148 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.805 -1.786 -6.472 1.00 0.00 C ATOM 0 H ILE A 5 -3.479 -2.911 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.222 -3.226 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.621 -2.689 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.833 -3.878 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.414 -3.459 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.596 -4.566 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.667 -4.941 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.293 -5.629 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.806 -1.632 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.655 -1.131 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.065 -1.555 -7.238 1.00 0.00 H new ATOM 76 N LEU A 6 -4.540 -5.999 -3.381 1.00 0.00 N ATOM 77 CA LEU A 6 -4.628 -7.431 -3.120 1.00 0.00 C ATOM 78 C LEU A 6 -4.311 -7.739 -1.660 1.00 0.00 C ATOM 79 O LEU A 6 -4.145 -6.831 -0.846 1.00 0.00 O ATOM 80 CB LEU A 6 -3.669 -8.196 -4.034 1.00 0.00 C ATOM 81 CG LEU A 6 -4.318 -9.141 -5.047 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.729 -8.381 -6.298 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.370 -10.278 -5.399 1.00 0.00 C ATOM 0 H LEU A 6 -3.599 -5.613 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.649 -7.751 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.063 -7.472 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.989 -8.776 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.213 -9.568 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.189 -9.069 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.444 -7.602 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.849 -7.926 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.848 -10.940 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.457 -9.869 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.125 -10.840 -4.498 1.00 0.00 H new ATOM 95 N SER A 7 -4.225 -9.025 -1.337 1.00 0.00 N ATOM 96 CA SER A 7 -3.929 -9.453 0.026 1.00 0.00 C ATOM 97 C SER A 7 -2.492 -9.952 0.138 1.00 0.00 C ATOM 98 O SER A 7 -1.993 -10.685 -0.717 1.00 0.00 O ATOM 99 CB SER A 7 -4.899 -10.554 0.459 1.00 0.00 C ATOM 100 OG SER A 7 -5.351 -10.343 1.785 1.00 0.00 O ATOM 0 H SER A 7 -4.356 -9.789 -2.000 1.00 0.00 H new ATOM 0 HA SER A 7 -4.049 -8.593 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.752 -10.579 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.407 -11.524 0.389 1.00 0.00 H new ATOM 0 HG SER A 7 -5.971 -11.059 2.037 1.00 0.00 H new ATOM 106 N PRO A 8 -1.808 -9.547 1.219 1.00 0.00 N ATOM 107 CA PRO A 8 -0.419 -9.940 1.470 1.00 0.00 C ATOM 108 C PRO A 8 -0.290 -11.418 1.822 1.00 0.00 C ATOM 109 O PRO A 8 0.808 -11.974 1.815 1.00 0.00 O ATOM 110 CB PRO A 8 -0.014 -9.069 2.662 1.00 0.00 C ATOM 111 CG PRO A 8 -1.295 -8.757 3.356 1.00 0.00 C ATOM 112 CD PRO A 8 -2.340 -8.673 2.278 1.00 0.00 C ATOM 0 HA PRO A 8 0.209 -9.801 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.675 -9.596 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.491 -8.160 2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.544 -9.531 4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.223 -7.818 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.312 -9.017 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.473 -7.650 1.926 1.00 0.00 H new ATOM 120 N SER A 9 -1.418 -12.049 2.130 1.00 0.00 N ATOM 121 CA SER A 9 -1.431 -13.463 2.488 1.00 0.00 C ATOM 122 C SER A 9 -1.718 -14.330 1.266 1.00 0.00 C ATOM 123 O SER A 9 -2.206 -15.454 1.390 1.00 0.00 O ATOM 124 CB SER A 9 -2.476 -13.727 3.573 1.00 0.00 C ATOM 125 OG SER A 9 -3.780 -13.789 3.020 1.00 0.00 O ATOM 0 H SER A 9 -2.336 -11.604 2.139 1.00 0.00 H new ATOM 0 HA SER A 9 -0.445 -13.724 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.248 -14.664 4.082 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.433 -12.938 4.324 1.00 0.00 H new ATOM 0 HG SER A 9 -4.430 -13.960 3.733 1.00 0.00 H new ATOM 131 N ASP A 10 -1.413 -13.800 0.087 1.00 0.00 N ATOM 132 CA ASP A 10 -1.637 -14.525 -1.158 1.00 0.00 C ATOM 133 C ASP A 10 -0.344 -14.643 -1.959 1.00 0.00 C ATOM 134 O ASP A 10 0.016 -15.727 -2.418 1.00 0.00 O ATOM 135 CB ASP A 10 -2.708 -13.824 -1.995 1.00 0.00 C ATOM 136 CG ASP A 10 -3.931 -13.455 -1.179 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.133 -14.060 -0.106 1.00 0.00 O ATOM 138 OD2 ASP A 10 -4.685 -12.560 -1.614 1.00 0.00 O ATOM 0 H ASP A 10 -1.010 -12.871 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.981 -15.529 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.286 -12.923 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.006 -14.475 -2.817 1.00 0.00 H new ATOM 143 N ILE A 11 0.349 -13.521 -2.123 1.00 0.00 N ATOM 144 CA ILE A 11 1.601 -13.499 -2.868 1.00 0.00 C ATOM 145 C ILE A 11 2.649 -14.389 -2.209 1.00 0.00 C ATOM 146 O ILE A 11 3.572 -14.870 -2.865 1.00 0.00 O ATOM 147 CB ILE A 11 2.160 -12.069 -2.987 1.00 0.00 C ATOM 148 CG1 ILE A 11 1.203 -11.189 -3.794 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.539 -12.091 -3.631 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.201 -10.445 -2.940 1.00 0.00 C ATOM 0 H ILE A 11 0.064 -12.615 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 11 1.381 -13.879 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 11 2.254 -11.647 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.783 -10.468 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.667 -11.811 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.921 -11.073 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.217 -12.687 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.469 -12.529 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.444 -9.842 -3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.405 -11.160 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.729 -9.796 -2.241 1.00 0.00 H new ATOM 162 N ALA A 12 2.498 -14.606 -0.906 1.00 0.00 N ATOM 163 CA ALA A 12 3.429 -15.442 -0.158 1.00 0.00 C ATOM 164 C ALA A 12 3.293 -16.908 -0.558 1.00 0.00 C ATOM 165 O ALA A 12 4.265 -17.662 -0.524 1.00 0.00 O ATOM 166 CB ALA A 12 3.201 -15.278 1.337 1.00 0.00 C ATOM 0 H ALA A 12 1.740 -14.214 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 12 4.442 -15.119 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.903 -15.908 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.355 -14.236 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.181 -15.573 1.584 1.00 0.00 H new ATOM 172 N ALA A 13 2.082 -17.304 -0.935 1.00 0.00 N ATOM 173 CA ALA A 13 1.821 -18.679 -1.343 1.00 0.00 C ATOM 174 C ALA A 13 2.297 -18.929 -2.770 1.00 0.00 C ATOM 175 O ALA A 13 2.430 -20.075 -3.198 1.00 0.00 O ATOM 176 CB ALA A 13 0.338 -18.994 -1.216 1.00 0.00 C ATOM 0 H ALA A 13 1.266 -16.692 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 13 2.380 -19.341 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.157 -20.024 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.026 -18.865 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.233 -18.319 -1.853 1.00 0.00 H new ATOM 182 N ALA A 14 2.551 -17.848 -3.502 1.00 0.00 N ATOM 183 CA ALA A 14 3.013 -17.951 -4.880 1.00 0.00 C ATOM 184 C ALA A 14 4.536 -17.924 -4.952 1.00 0.00 C ATOM 185 O ALA A 14 5.141 -18.607 -5.780 1.00 0.00 O ATOM 186 CB ALA A 14 2.423 -16.827 -5.719 1.00 0.00 C ATOM 0 H ALA A 14 2.444 -16.892 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 14 2.674 -18.906 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.776 -16.916 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.335 -16.893 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.734 -15.866 -5.310 1.00 0.00 H new ATOM 192 N LEU A 15 5.150 -17.131 -4.081 1.00 0.00 N ATOM 193 CA LEU A 15 6.604 -17.015 -4.046 1.00 0.00 C ATOM 194 C LEU A 15 7.235 -18.254 -3.420 1.00 0.00 C ATOM 195 O LEU A 15 8.449 -18.447 -3.489 1.00 0.00 O ATOM 196 CB LEU A 15 7.017 -15.767 -3.263 1.00 0.00 C ATOM 197 CG LEU A 15 6.794 -14.428 -3.967 1.00 0.00 C ATOM 198 CD1 LEU A 15 7.253 -13.278 -3.085 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.521 -14.401 -5.303 1.00 0.00 C ATOM 0 H LEU A 15 4.664 -16.559 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 15 6.961 -16.928 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.468 -15.755 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.075 -15.852 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 15 5.727 -14.311 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.086 -12.333 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.687 -13.286 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.315 -13.389 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.351 -13.441 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.589 -14.541 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.144 -15.202 -5.939 1.00 0.00 H new ATOM 211 N ARG A 16 6.402 -19.092 -2.811 1.00 0.00 N ATOM 212 CA ARG A 16 6.878 -20.313 -2.173 1.00 0.00 C ATOM 213 C ARG A 16 6.488 -21.541 -2.990 1.00 0.00 C ATOM 214 O ARG A 16 7.309 -22.426 -3.231 1.00 0.00 O ATOM 215 CB ARG A 16 6.312 -20.429 -0.757 1.00 0.00 C ATOM 216 CG ARG A 16 6.704 -21.714 -0.047 1.00 0.00 C ATOM 217 CD ARG A 16 5.625 -22.777 -0.180 1.00 0.00 C ATOM 218 NE ARG A 16 6.181 -24.127 -0.165 1.00 0.00 N ATOM 219 CZ ARG A 16 5.489 -25.210 -0.500 1.00 0.00 C ATOM 220 NH1 ARG A 16 4.222 -25.102 -0.874 1.00 0.00 N ATOM 221 NH2 ARG A 16 6.065 -26.405 -0.461 1.00 0.00 N ATOM 0 H ARG A 16 5.394 -18.947 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 16 7.966 -20.264 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.655 -19.579 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.225 -20.367 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.639 -22.090 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.884 -21.507 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.909 -22.671 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.076 -22.622 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 16 7.154 -24.245 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.776 -24.185 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.693 -25.936 -1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.040 -26.492 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.533 -27.236 -0.718 1.00 0.00 H new ATOM 235 N ASP A 17 5.230 -21.587 -3.414 1.00 0.00 N ATOM 236 CA ASP A 17 4.730 -22.706 -4.205 1.00 0.00 C ATOM 237 C ASP A 17 5.515 -22.846 -5.506 1.00 0.00 C ATOM 238 O ASP A 17 5.505 -23.903 -6.138 1.00 0.00 O ATOM 239 CB ASP A 17 3.243 -22.519 -4.510 1.00 0.00 C ATOM 240 CG ASP A 17 2.632 -23.733 -5.181 1.00 0.00 C ATOM 241 OD1 ASP A 17 2.824 -23.894 -6.404 1.00 0.00 O ATOM 242 OD2 ASP A 17 1.961 -24.522 -4.483 1.00 0.00 O ATOM 0 H ASP A 17 4.538 -20.863 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 17 4.862 -23.618 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.708 -22.312 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.114 -21.649 -5.153 1.00 0.00 H new ATOM 247 N CYS A 18 6.193 -21.773 -5.899 1.00 0.00 N ATOM 248 CA CYS A 18 6.982 -21.776 -7.126 1.00 0.00 C ATOM 249 C CYS A 18 8.411 -21.316 -6.854 1.00 0.00 C ATOM 250 O CYS A 18 9.101 -20.839 -7.754 1.00 0.00 O ATOM 251 CB CYS A 18 6.334 -20.872 -8.175 1.00 0.00 C ATOM 252 SG CYS A 18 4.562 -21.152 -8.399 1.00 0.00 S ATOM 0 H CYS A 18 6.212 -20.891 -5.387 1.00 0.00 H new ATOM 0 HA CYS A 18 7.014 -22.797 -7.506 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.493 -19.832 -7.891 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.838 -21.022 -9.130 1.00 0.00 H new ATOM 0 HG CYS A 18 4.105 -20.339 -9.305 1.00 0.00 H new ATOM 258 N GLN A 19 8.847 -21.463 -5.607 1.00 0.00 N ATOM 259 CA GLN A 19 10.193 -21.061 -5.216 1.00 0.00 C ATOM 260 C GLN A 19 11.243 -21.824 -6.017 1.00 0.00 C ATOM 261 O GLN A 19 12.385 -21.382 -6.141 1.00 0.00 O ATOM 262 CB GLN A 19 10.405 -21.297 -3.720 1.00 0.00 C ATOM 263 CG GLN A 19 10.588 -22.761 -3.355 1.00 0.00 C ATOM 264 CD GLN A 19 10.829 -22.967 -1.873 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.744 -23.690 -1.475 1.00 0.00 O ATOM 266 NE2 GLN A 19 10.008 -22.332 -1.045 1.00 0.00 N ATOM 0 H GLN A 19 8.288 -21.857 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 19 10.303 -19.997 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.281 -20.737 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.550 -20.899 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.702 -23.320 -3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.429 -23.169 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.263 -21.743 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.122 -22.433 -0.036 1.00 0.00 H new ATOM 275 N ALA A 20 10.848 -22.971 -6.559 1.00 0.00 N ATOM 276 CA ALA A 20 11.755 -23.795 -7.349 1.00 0.00 C ATOM 277 C ALA A 20 12.036 -23.156 -8.705 1.00 0.00 C ATOM 278 O ALA A 20 11.290 -22.301 -9.182 1.00 0.00 O ATOM 279 CB ALA A 20 11.177 -25.191 -7.531 1.00 0.00 C ATOM 0 H ALA A 20 9.906 -23.351 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 20 12.699 -23.872 -6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.865 -25.795 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.033 -25.655 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.218 -25.124 -8.046 1.00 0.00 H new ATOM 285 N PRO A 21 13.137 -23.579 -9.342 1.00 0.00 N ATOM 286 CA PRO A 21 13.542 -23.061 -10.653 1.00 0.00 C ATOM 287 C PRO A 21 12.605 -23.511 -11.768 1.00 0.00 C ATOM 288 O PRO A 21 12.133 -24.648 -11.775 1.00 0.00 O ATOM 289 CB PRO A 21 14.938 -23.657 -10.854 1.00 0.00 C ATOM 290 CG PRO A 21 14.946 -24.892 -10.021 1.00 0.00 C ATOM 291 CD PRO A 21 14.073 -24.596 -8.833 1.00 0.00 C ATOM 0 HA PRO A 21 13.520 -21.972 -10.686 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.123 -23.886 -11.903 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.715 -22.961 -10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.564 -25.744 -10.583 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.959 -25.145 -9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.549 -25.487 -8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.654 -24.221 -7.991 1.00 0.00 H new ATOM 299 N ASP A 22 12.340 -22.612 -12.710 1.00 0.00 N ATOM 300 CA ASP A 22 11.460 -22.917 -13.832 1.00 0.00 C ATOM 301 C ASP A 22 10.073 -23.319 -13.342 1.00 0.00 C ATOM 302 O ASP A 22 9.326 -23.996 -14.048 1.00 0.00 O ATOM 303 CB ASP A 22 12.057 -24.037 -14.686 1.00 0.00 C ATOM 304 CG ASP A 22 13.342 -23.619 -15.374 1.00 0.00 C ATOM 305 OD1 ASP A 22 14.174 -22.955 -14.722 1.00 0.00 O ATOM 306 OD2 ASP A 22 13.514 -23.954 -16.565 1.00 0.00 O ATOM 0 H ASP A 22 12.722 -21.666 -12.719 1.00 0.00 H new ATOM 0 HA ASP A 22 11.364 -22.018 -14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.251 -24.905 -14.057 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.329 -24.344 -15.437 1.00 0.00 H new ATOM 311 N SER A 23 9.736 -22.899 -12.126 1.00 0.00 N ATOM 312 CA SER A 23 8.440 -23.219 -11.539 1.00 0.00 C ATOM 313 C SER A 23 7.618 -21.954 -11.313 1.00 0.00 C ATOM 314 O SER A 23 6.397 -22.011 -11.166 1.00 0.00 O ATOM 315 CB SER A 23 8.627 -23.963 -10.215 1.00 0.00 C ATOM 316 OG SER A 23 7.442 -24.646 -9.842 1.00 0.00 O ATOM 0 H SER A 23 10.342 -22.337 -11.529 1.00 0.00 H new ATOM 0 HA SER A 23 7.901 -23.861 -12.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.447 -24.675 -10.307 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.905 -23.256 -9.433 1.00 0.00 H new ATOM 0 HG SER A 23 7.588 -25.115 -8.994 1.00 0.00 H new ATOM 322 N PHE A 24 8.297 -20.812 -11.287 1.00 0.00 N ATOM 323 CA PHE A 24 7.632 -19.531 -11.078 1.00 0.00 C ATOM 324 C PHE A 24 7.434 -18.799 -12.402 1.00 0.00 C ATOM 325 O PHE A 24 8.280 -18.867 -13.293 1.00 0.00 O ATOM 326 CB PHE A 24 8.444 -18.661 -10.117 1.00 0.00 C ATOM 327 CG PHE A 24 7.893 -17.273 -9.954 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.642 -17.071 -9.395 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.627 -16.170 -10.360 1.00 0.00 C ATOM 330 CE1 PHE A 24 6.132 -15.795 -9.244 1.00 0.00 C ATOM 331 CE2 PHE A 24 8.123 -14.892 -10.211 1.00 0.00 C ATOM 332 CZ PHE A 24 6.874 -14.704 -9.653 1.00 0.00 C ATOM 0 H PHE A 24 9.308 -20.747 -11.408 1.00 0.00 H new ATOM 0 HA PHE A 24 6.653 -19.725 -10.641 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.479 -19.146 -9.142 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.471 -18.596 -10.478 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.058 -17.921 -9.073 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.604 -16.311 -10.798 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.155 -15.651 -8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.706 -14.041 -10.531 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.478 -13.706 -9.537 1.00 0.00 H new ATOM 342 N SER A 25 6.310 -18.099 -12.522 1.00 0.00 N ATOM 343 CA SER A 25 5.998 -17.357 -13.738 1.00 0.00 C ATOM 344 C SER A 25 4.914 -16.317 -13.476 1.00 0.00 C ATOM 345 O SER A 25 4.169 -16.392 -12.499 1.00 0.00 O ATOM 346 CB SER A 25 5.547 -18.314 -14.843 1.00 0.00 C ATOM 347 OG SER A 25 5.865 -19.656 -14.517 1.00 0.00 O ATOM 0 H SER A 25 5.601 -18.030 -11.792 1.00 0.00 H new ATOM 0 HA SER A 25 6.902 -16.841 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.472 -18.218 -14.995 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.027 -18.041 -15.783 1.00 0.00 H new ATOM 0 HG SER A 25 5.565 -20.248 -15.238 1.00 0.00 H new ATOM 353 N PRO A 26 4.822 -15.321 -14.371 1.00 0.00 N ATOM 354 CA PRO A 26 3.831 -14.246 -14.259 1.00 0.00 C ATOM 355 C PRO A 26 2.411 -14.738 -14.514 1.00 0.00 C ATOM 356 O PRO A 26 1.462 -14.285 -13.873 1.00 0.00 O ATOM 357 CB PRO A 26 4.258 -13.257 -15.347 1.00 0.00 C ATOM 358 CG PRO A 26 4.992 -14.085 -16.345 1.00 0.00 C ATOM 359 CD PRO A 26 5.677 -15.169 -15.560 1.00 0.00 C ATOM 0 HA PRO A 26 3.807 -13.816 -13.258 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.395 -12.767 -15.797 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.894 -12.471 -14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.307 -14.509 -17.080 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.716 -13.483 -16.894 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.743 -16.097 -16.129 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.695 -14.888 -15.290 1.00 0.00 H new ATOM 367 N LYS A 27 2.271 -15.667 -15.453 1.00 0.00 N ATOM 368 CA LYS A 27 0.966 -16.223 -15.792 1.00 0.00 C ATOM 369 C LYS A 27 0.683 -17.483 -14.981 1.00 0.00 C ATOM 370 O LYS A 27 -0.040 -18.373 -15.428 1.00 0.00 O ATOM 371 CB LYS A 27 0.897 -16.540 -17.288 1.00 0.00 C ATOM 372 CG LYS A 27 1.514 -15.466 -18.167 1.00 0.00 C ATOM 373 CD LYS A 27 1.417 -15.827 -19.640 1.00 0.00 C ATOM 374 CE LYS A 27 -0.023 -15.793 -20.129 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.104 -15.785 -21.615 1.00 0.00 N ATOM 0 H LYS A 27 3.046 -16.051 -15.994 1.00 0.00 H new ATOM 0 HA LYS A 27 0.208 -15.479 -15.549 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.405 -17.486 -17.474 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.146 -16.677 -17.574 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.010 -14.516 -17.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.560 -15.327 -17.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.018 -15.132 -20.226 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.833 -16.822 -19.800 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.559 -16.659 -19.741 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.520 -14.907 -19.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.102 -15.762 -21.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.385 -14.945 -21.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.348 -16.643 -21.992 1.00 0.00 H new ATOM 389 N LYS A 28 1.257 -17.552 -13.784 1.00 0.00 N ATOM 390 CA LYS A 28 1.066 -18.701 -12.908 1.00 0.00 C ATOM 391 C LYS A 28 0.725 -18.254 -11.490 1.00 0.00 C ATOM 392 O LYS A 28 -0.121 -18.853 -10.826 1.00 0.00 O ATOM 393 CB LYS A 28 2.325 -19.571 -12.891 1.00 0.00 C ATOM 394 CG LYS A 28 2.201 -20.803 -12.012 1.00 0.00 C ATOM 395 CD LYS A 28 1.452 -21.920 -12.719 1.00 0.00 C ATOM 396 CE LYS A 28 1.515 -23.220 -11.931 1.00 0.00 C ATOM 397 NZ LYS A 28 0.444 -23.296 -10.900 1.00 0.00 N ATOM 0 H LYS A 28 1.859 -16.824 -13.399 1.00 0.00 H new ATOM 0 HA LYS A 28 0.232 -19.287 -13.296 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.554 -19.883 -13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.166 -18.971 -12.545 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.195 -21.152 -11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.681 -20.542 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.411 -21.629 -12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.877 -22.074 -13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.422 -24.064 -12.615 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.489 -23.306 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.521 -24.196 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.548 -22.505 -10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.486 -23.240 -11.361 1.00 0.00 H new ATOM 411 N PHE A 29 1.387 -17.196 -11.033 1.00 0.00 N ATOM 412 CA PHE A 29 1.154 -16.668 -9.694 1.00 0.00 C ATOM 413 C PHE A 29 -0.094 -15.791 -9.665 1.00 0.00 C ATOM 414 O PHE A 29 -0.700 -15.589 -8.613 1.00 0.00 O ATOM 415 CB PHE A 29 2.367 -15.864 -9.221 1.00 0.00 C ATOM 416 CG PHE A 29 2.334 -14.424 -9.646 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.507 -14.076 -10.976 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.129 -13.418 -8.715 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.477 -12.751 -11.369 1.00 0.00 C ATOM 420 CE2 PHE A 29 2.099 -12.092 -9.102 1.00 0.00 C ATOM 421 CZ PHE A 29 2.272 -11.758 -10.431 1.00 0.00 C ATOM 0 H PHE A 29 2.089 -16.687 -11.570 1.00 0.00 H new ATOM 0 HA PHE A 29 1.000 -17.511 -9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.423 -15.912 -8.134 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.274 -16.328 -9.608 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.667 -14.848 -11.714 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.991 -13.674 -7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.614 -12.492 -12.409 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.940 -11.318 -8.366 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.247 -10.722 -10.736 1.00 0.00 H new ATOM 431 N PHE A 30 -0.473 -15.273 -10.829 1.00 0.00 N ATOM 432 CA PHE A 30 -1.648 -14.416 -10.938 1.00 0.00 C ATOM 433 C PHE A 30 -2.863 -15.074 -10.290 1.00 0.00 C ATOM 434 O PHE A 30 -3.738 -14.394 -9.756 1.00 0.00 O ATOM 435 CB PHE A 30 -1.944 -14.105 -12.406 1.00 0.00 C ATOM 436 CG PHE A 30 -2.590 -15.245 -13.141 1.00 0.00 C ATOM 437 CD1 PHE A 30 -1.906 -16.433 -13.343 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.881 -15.127 -13.631 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.498 -17.483 -14.019 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.478 -16.174 -14.307 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.785 -17.353 -14.503 1.00 0.00 C ATOM 0 H PHE A 30 0.016 -15.432 -11.710 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.438 -13.485 -10.412 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.595 -13.232 -12.460 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.013 -13.840 -12.908 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.899 -16.540 -12.968 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.426 -14.207 -13.483 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.955 -18.404 -14.169 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.486 -16.071 -14.682 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.249 -18.171 -15.034 1.00 0.00 H new ATOM 451 N GLN A 31 -2.908 -16.401 -10.343 1.00 0.00 N ATOM 452 CA GLN A 31 -4.016 -17.151 -9.763 1.00 0.00 C ATOM 453 C GLN A 31 -3.771 -17.427 -8.284 1.00 0.00 C ATOM 454 O GLN A 31 -4.712 -17.519 -7.495 1.00 0.00 O ATOM 455 CB GLN A 31 -4.216 -18.469 -10.514 1.00 0.00 C ATOM 456 CG GLN A 31 -3.247 -19.562 -10.092 1.00 0.00 C ATOM 457 CD GLN A 31 -3.069 -20.627 -11.157 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.040 -21.223 -11.623 1.00 0.00 O ATOM 459 NE2 GLN A 31 -1.824 -20.871 -11.548 1.00 0.00 N ATOM 0 H GLN A 31 -2.191 -16.979 -10.781 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.919 -16.547 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.236 -18.818 -10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.105 -18.289 -11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.279 -19.116 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.607 -20.027 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.049 -20.353 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.643 -21.577 -12.262 1.00 0.00 H new ATOM 468 N ILE A 32 -2.501 -17.559 -7.914 1.00 0.00 N ATOM 469 CA ILE A 32 -2.133 -17.824 -6.529 1.00 0.00 C ATOM 470 C ILE A 32 -2.353 -16.593 -5.656 1.00 0.00 C ATOM 471 O ILE A 32 -2.940 -16.680 -4.578 1.00 0.00 O ATOM 472 CB ILE A 32 -0.663 -18.267 -6.412 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.440 -19.578 -7.168 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.270 -18.419 -4.950 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.966 -19.737 -7.701 1.00 0.00 C ATOM 0 H ILE A 32 -1.710 -17.487 -8.554 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.776 -18.632 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.032 -17.500 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.665 -20.413 -6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.143 -19.633 -7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.772 -18.733 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.395 -17.465 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.905 -19.169 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.051 -20.689 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.188 -18.922 -8.390 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.674 -19.715 -6.872 1.00 0.00 H new ATOM 487 N SER A 33 -1.879 -15.446 -6.131 1.00 0.00 N ATOM 488 CA SER A 33 -2.022 -14.196 -5.394 1.00 0.00 C ATOM 489 C SER A 33 -3.446 -13.661 -5.502 1.00 0.00 C ATOM 490 O SER A 33 -4.091 -13.371 -4.496 1.00 0.00 O ATOM 491 CB SER A 33 -1.032 -13.154 -5.919 1.00 0.00 C ATOM 492 OG SER A 33 0.298 -13.640 -5.863 1.00 0.00 O ATOM 0 H SER A 33 -1.393 -15.356 -7.023 1.00 0.00 H new ATOM 0 HA SER A 33 -1.807 -14.395 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.284 -12.894 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.114 -12.241 -5.330 1.00 0.00 H new ATOM 0 HG SER A 33 0.415 -14.349 -6.529 1.00 0.00 H new ATOM 498 N GLY A 34 -3.931 -13.532 -6.734 1.00 0.00 N ATOM 499 CA GLY A 34 -5.276 -13.032 -6.953 1.00 0.00 C ATOM 500 C GLY A 34 -5.310 -11.869 -7.924 1.00 0.00 C ATOM 501 O GLY A 34 -6.144 -10.972 -7.799 1.00 0.00 O ATOM 0 H GLY A 34 -3.417 -13.765 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.903 -13.838 -7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.704 -12.719 -6.001 1.00 0.00 H new ATOM 505 N MET A 35 -4.402 -11.883 -8.895 1.00 0.00 N ATOM 506 CA MET A 35 -4.333 -10.820 -9.891 1.00 0.00 C ATOM 507 C MET A 35 -5.307 -11.082 -11.035 1.00 0.00 C ATOM 508 O MET A 35 -5.731 -10.156 -11.726 1.00 0.00 O ATOM 509 CB MET A 35 -2.909 -10.696 -10.437 1.00 0.00 C ATOM 510 CG MET A 35 -1.930 -10.082 -9.449 1.00 0.00 C ATOM 511 SD MET A 35 -0.674 -9.069 -10.254 1.00 0.00 S ATOM 512 CE MET A 35 -0.262 -10.097 -11.661 1.00 0.00 C ATOM 0 H MET A 35 -3.705 -12.618 -9.013 1.00 0.00 H new ATOM 0 HA MET A 35 -4.612 -9.884 -9.407 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.551 -11.685 -10.723 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.927 -10.089 -11.342 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.479 -9.472 -8.732 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.443 -10.877 -8.884 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.773 -9.918 -11.951 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.388 -11.146 -11.394 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.920 -9.853 -12.495 1.00 0.00 H new ATOM 522 N SER A 36 -5.658 -12.350 -11.228 1.00 0.00 N ATOM 523 CA SER A 36 -6.579 -12.734 -12.291 1.00 0.00 C ATOM 524 C SER A 36 -7.876 -11.934 -12.202 1.00 0.00 C ATOM 525 O SER A 36 -8.500 -11.624 -13.217 1.00 0.00 O ATOM 526 CB SER A 36 -6.884 -14.231 -12.215 1.00 0.00 C ATOM 527 OG SER A 36 -8.029 -14.478 -11.417 1.00 0.00 O ATOM 0 H SER A 36 -5.319 -13.128 -10.662 1.00 0.00 H new ATOM 0 HA SER A 36 -6.102 -12.516 -13.247 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.045 -14.624 -13.219 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.026 -14.760 -11.799 1.00 0.00 H new ATOM 0 HG SER A 36 -8.204 -15.442 -11.385 1.00 0.00 H new ATOM 533 N LYS A 37 -8.276 -11.603 -10.978 1.00 0.00 N ATOM 534 CA LYS A 37 -9.497 -10.839 -10.753 1.00 0.00 C ATOM 535 C LYS A 37 -9.362 -9.423 -11.304 1.00 0.00 C ATOM 536 O LYS A 37 -10.351 -8.796 -11.683 1.00 0.00 O ATOM 537 CB LYS A 37 -9.822 -10.786 -9.258 1.00 0.00 C ATOM 538 CG LYS A 37 -10.145 -12.144 -8.659 1.00 0.00 C ATOM 539 CD LYS A 37 -9.262 -12.449 -7.460 1.00 0.00 C ATOM 540 CE LYS A 37 -9.728 -11.702 -6.220 1.00 0.00 C ATOM 541 NZ LYS A 37 -10.550 -12.566 -5.328 1.00 0.00 N ATOM 0 H LYS A 37 -7.772 -11.852 -10.127 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.311 -11.339 -11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.974 -10.355 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.669 -10.118 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.192 -12.170 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.013 -12.917 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.270 -13.521 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.232 -12.174 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.861 -11.334 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.310 -10.830 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.848 -12.020 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.390 -12.897 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.986 -13.385 -5.022 1.00 0.00 H new ATOM 555 N LYS A 38 -8.131 -8.925 -11.348 1.00 0.00 N ATOM 556 CA LYS A 38 -7.865 -7.584 -11.855 1.00 0.00 C ATOM 557 C LYS A 38 -8.372 -7.434 -13.286 1.00 0.00 C ATOM 558 O LYS A 38 -8.972 -8.353 -13.842 1.00 0.00 O ATOM 559 CB LYS A 38 -6.366 -7.283 -11.800 1.00 0.00 C ATOM 560 CG LYS A 38 -5.767 -7.430 -10.411 1.00 0.00 C ATOM 561 CD LYS A 38 -6.606 -6.716 -9.364 1.00 0.00 C ATOM 562 CE LYS A 38 -7.504 -7.688 -8.613 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.532 -7.401 -7.152 1.00 0.00 N ATOM 0 H LYS A 38 -7.301 -9.431 -11.038 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.395 -6.872 -11.223 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.844 -7.952 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.195 -6.267 -12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.689 -8.487 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.755 -7.025 -10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.951 -6.204 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.217 -5.952 -9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.516 -7.631 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.153 -8.707 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.300 -8.266 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.834 -6.662 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.481 -7.074 -6.881 1.00 0.00 H new ATOM 577 N SER A 39 -8.125 -6.269 -13.878 1.00 0.00 N ATOM 578 CA SER A 39 -8.558 -5.998 -15.243 1.00 0.00 C ATOM 579 C SER A 39 -7.915 -4.720 -15.773 1.00 0.00 C ATOM 580 O SER A 39 -8.607 -3.795 -16.199 1.00 0.00 O ATOM 581 CB SER A 39 -10.082 -5.879 -15.303 1.00 0.00 C ATOM 582 OG SER A 39 -10.595 -5.294 -14.119 1.00 0.00 O ATOM 0 H SER A 39 -7.627 -5.498 -13.433 1.00 0.00 H new ATOM 0 HA SER A 39 -8.241 -6.831 -15.871 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.369 -5.276 -16.164 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.522 -6.866 -15.445 1.00 0.00 H new ATOM 0 HG SER A 39 -11.571 -5.228 -14.183 1.00 0.00 H new ATOM 588 N SER A 40 -6.587 -4.676 -15.744 1.00 0.00 N ATOM 589 CA SER A 40 -5.850 -3.511 -16.217 1.00 0.00 C ATOM 590 C SER A 40 -6.392 -2.232 -15.587 1.00 0.00 C ATOM 591 O SER A 40 -6.262 -1.145 -16.151 1.00 0.00 O ATOM 592 CB SER A 40 -5.931 -3.415 -17.742 1.00 0.00 C ATOM 593 OG SER A 40 -7.203 -2.949 -18.157 1.00 0.00 O ATOM 0 H SER A 40 -5.999 -5.434 -15.398 1.00 0.00 H new ATOM 0 HA SER A 40 -4.807 -3.627 -15.921 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.156 -2.742 -18.109 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.737 -4.393 -18.182 1.00 0.00 H new ATOM 0 HG SER A 40 -7.835 -3.014 -17.410 1.00 0.00 H new ATOM 599 N SER A 41 -7.000 -2.370 -14.413 1.00 0.00 N ATOM 600 CA SER A 41 -7.566 -1.227 -13.706 1.00 0.00 C ATOM 601 C SER A 41 -7.014 -1.139 -12.286 1.00 0.00 C ATOM 602 O SER A 41 -7.211 -0.141 -11.594 1.00 0.00 O ATOM 603 CB SER A 41 -9.092 -1.329 -13.667 1.00 0.00 C ATOM 604 OG SER A 41 -9.672 -0.122 -13.203 1.00 0.00 O ATOM 0 H SER A 41 -7.113 -3.262 -13.931 1.00 0.00 H new ATOM 0 HA SER A 41 -7.283 -0.322 -14.244 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.470 -1.558 -14.663 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.388 -2.152 -13.017 1.00 0.00 H new ATOM 0 HG SER A 41 -9.111 0.260 -12.496 1.00 0.00 H new ATOM 610 N GLN A 42 -6.323 -2.192 -11.860 1.00 0.00 N ATOM 611 CA GLN A 42 -5.743 -2.234 -10.523 1.00 0.00 C ATOM 612 C GLN A 42 -4.284 -2.674 -10.576 1.00 0.00 C ATOM 613 O GLN A 42 -3.576 -2.637 -9.569 1.00 0.00 O ATOM 614 CB GLN A 42 -6.542 -3.182 -9.628 1.00 0.00 C ATOM 615 CG GLN A 42 -8.038 -2.910 -9.635 1.00 0.00 C ATOM 616 CD GLN A 42 -8.823 -3.984 -10.360 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.898 -4.391 -9.917 1.00 0.00 O ATOM 618 NE2 GLN A 42 -8.291 -4.450 -11.484 1.00 0.00 N ATOM 0 H GLN A 42 -6.151 -3.026 -12.421 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.785 -1.229 -10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.366 -4.208 -9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.171 -3.102 -8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.395 -2.836 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.226 -1.946 -10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.398 -4.085 -11.815 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.775 -5.173 -12.016 1.00 0.00 H new ATOM 627 N LEU A 43 -3.840 -3.092 -11.756 1.00 0.00 N ATOM 628 CA LEU A 43 -2.464 -3.540 -11.941 1.00 0.00 C ATOM 629 C LEU A 43 -1.478 -2.423 -11.613 1.00 0.00 C ATOM 630 O LEU A 43 -0.758 -2.489 -10.616 1.00 0.00 O ATOM 631 CB LEU A 43 -2.251 -4.017 -13.379 1.00 0.00 C ATOM 632 CG LEU A 43 -3.389 -4.835 -13.990 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.973 -5.404 -15.338 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.810 -5.952 -13.045 1.00 0.00 C ATOM 0 H LEU A 43 -4.413 -3.130 -12.599 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.284 -4.370 -11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.079 -3.144 -14.009 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.341 -4.617 -13.411 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.243 -4.175 -14.145 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.795 -5.983 -15.758 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.721 -4.588 -16.015 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.104 -6.049 -15.208 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.621 -6.524 -13.496 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.961 -6.610 -12.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.150 -5.523 -12.102 1.00 0.00 H new ATOM 646 N LYS A 44 -1.453 -1.396 -12.456 1.00 0.00 N ATOM 647 CA LYS A 44 -0.560 -0.262 -12.254 1.00 0.00 C ATOM 648 C LYS A 44 -0.863 0.443 -10.936 1.00 0.00 C ATOM 649 O LYS A 44 -0.040 1.200 -10.423 1.00 0.00 O ATOM 650 CB LYS A 44 -0.688 0.727 -13.415 1.00 0.00 C ATOM 651 CG LYS A 44 -1.892 1.646 -13.300 1.00 0.00 C ATOM 652 CD LYS A 44 -3.196 0.869 -13.370 1.00 0.00 C ATOM 653 CE LYS A 44 -4.340 1.744 -13.859 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.213 2.066 -15.307 1.00 0.00 N ATOM 0 H LYS A 44 -2.042 -1.326 -13.286 1.00 0.00 H new ATOM 0 HA LYS A 44 0.462 -0.639 -12.216 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.217 1.332 -13.467 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.754 0.171 -14.350 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.844 2.194 -12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.864 2.385 -14.101 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.077 0.016 -14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.437 0.470 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.288 1.235 -13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.362 2.669 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.131 2.390 -15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.505 2.817 -15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.914 1.216 -15.827 1.00 0.00 H new ATOM 668 N GLU A 45 -2.049 0.187 -10.393 1.00 0.00 N ATOM 669 CA GLU A 45 -2.460 0.798 -9.134 1.00 0.00 C ATOM 670 C GLU A 45 -1.370 0.648 -8.076 1.00 0.00 C ATOM 671 O GLU A 45 -1.017 1.610 -7.394 1.00 0.00 O ATOM 672 CB GLU A 45 -3.761 0.165 -8.635 1.00 0.00 C ATOM 673 CG GLU A 45 -4.477 0.995 -7.583 1.00 0.00 C ATOM 674 CD GLU A 45 -5.170 2.209 -8.170 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.523 3.272 -8.269 1.00 0.00 O ATOM 676 OE2 GLU A 45 -6.360 2.095 -8.531 1.00 0.00 O ATOM 0 H GLU A 45 -2.742 -0.439 -10.805 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.626 1.860 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.429 0.013 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.541 -0.819 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.212 0.373 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.758 1.320 -6.831 1.00 0.00 H new ATOM 683 N ILE A 46 -0.843 -0.565 -7.946 1.00 0.00 N ATOM 684 CA ILE A 46 0.207 -0.841 -6.973 1.00 0.00 C ATOM 685 C ILE A 46 1.580 -0.479 -7.528 1.00 0.00 C ATOM 686 O ILE A 46 2.552 -0.363 -6.781 1.00 0.00 O ATOM 687 CB ILE A 46 0.209 -2.322 -6.552 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.208 -2.775 -6.192 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.154 -2.539 -5.380 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.936 -3.448 -7.334 1.00 0.00 C ATOM 0 H ILE A 46 -1.126 -1.372 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.002 -0.224 -6.099 1.00 0.00 H new ATOM 0 HB ILE A 46 0.560 -2.922 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.157 -3.463 -5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.785 -1.910 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.144 -3.591 -5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.165 -2.251 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.831 -1.931 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.933 -3.742 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.019 -2.755 -8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.382 -4.332 -7.648 1.00 0.00 H new ATOM 702 N PHE A 47 1.653 -0.301 -8.842 1.00 0.00 N ATOM 703 CA PHE A 47 2.908 0.048 -9.498 1.00 0.00 C ATOM 704 C PHE A 47 4.079 -0.695 -8.863 1.00 0.00 C ATOM 705 O PHE A 47 5.161 -0.134 -8.685 1.00 0.00 O ATOM 706 CB PHE A 47 3.145 1.558 -9.422 1.00 0.00 C ATOM 707 CG PHE A 47 3.044 2.111 -8.029 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.828 2.548 -7.529 1.00 0.00 C ATOM 709 CD2 PHE A 47 4.166 2.192 -7.219 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.734 3.058 -6.247 1.00 0.00 C ATOM 711 CE2 PHE A 47 4.077 2.700 -5.937 1.00 0.00 C ATOM 712 CZ PHE A 47 2.859 3.133 -5.450 1.00 0.00 C ATOM 0 H PHE A 47 0.858 -0.393 -9.474 1.00 0.00 H new ATOM 0 HA PHE A 47 2.837 -0.249 -10.544 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.133 1.783 -9.823 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.420 2.064 -10.059 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.944 2.490 -8.147 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.121 1.854 -7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.781 3.398 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.959 2.758 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.787 3.529 -4.448 1.00 0.00 H new ATOM 722 N ARG A 48 3.855 -1.960 -8.522 1.00 0.00 N ATOM 723 CA ARG A 48 4.890 -2.779 -7.904 1.00 0.00 C ATOM 724 C ARG A 48 4.793 -4.226 -8.380 1.00 0.00 C ATOM 725 O ARG A 48 5.412 -5.122 -7.804 1.00 0.00 O ATOM 726 CB ARG A 48 4.773 -2.724 -6.380 1.00 0.00 C ATOM 727 CG ARG A 48 5.629 -1.642 -5.742 1.00 0.00 C ATOM 728 CD ARG A 48 6.289 -2.136 -4.464 1.00 0.00 C ATOM 729 NE ARG A 48 7.642 -2.630 -4.702 1.00 0.00 N ATOM 730 CZ ARG A 48 8.704 -1.840 -4.815 1.00 0.00 C ATOM 731 NH1 ARG A 48 8.570 -0.525 -4.712 1.00 0.00 N ATOM 732 NH2 ARG A 48 9.903 -2.365 -5.032 1.00 0.00 N ATOM 0 H ARG A 48 2.966 -2.440 -8.663 1.00 0.00 H new ATOM 0 HA ARG A 48 5.860 -2.380 -8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.730 -2.557 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.058 -3.692 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.395 -1.319 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.012 -0.771 -5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.322 -1.325 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.684 -2.931 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 48 7.779 -3.637 -4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.650 -0.118 -4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.387 0.079 -4.799 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.010 -3.376 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.718 -1.757 -5.119 1.00 0.00 H new ATOM 746 N ILE A 49 4.014 -4.446 -9.433 1.00 0.00 N ATOM 747 CA ILE A 49 3.837 -5.783 -9.986 1.00 0.00 C ATOM 748 C ILE A 49 4.346 -5.856 -11.422 1.00 0.00 C ATOM 749 O ILE A 49 4.635 -6.938 -11.935 1.00 0.00 O ATOM 750 CB ILE A 49 2.359 -6.215 -9.954 1.00 0.00 C ATOM 751 CG1 ILE A 49 1.515 -5.284 -10.827 1.00 0.00 C ATOM 752 CG2 ILE A 49 1.841 -6.225 -8.524 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.117 -5.801 -11.085 1.00 0.00 C ATOM 0 H ILE A 49 3.495 -3.716 -9.921 1.00 0.00 H new ATOM 0 HA ILE A 49 4.418 -6.462 -9.362 1.00 0.00 H new ATOM 0 HB ILE A 49 2.282 -7.226 -10.354 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.450 -4.308 -10.346 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.021 -5.136 -11.781 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.795 -6.532 -8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.428 -6.925 -7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.928 -5.225 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.424 -5.091 -11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.173 -6.763 -11.594 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.407 -5.922 -10.137 1.00 0.00 H new ATOM 765 N LEU A 50 4.455 -4.699 -12.064 1.00 0.00 N ATOM 766 CA LEU A 50 4.931 -4.630 -13.441 1.00 0.00 C ATOM 767 C LEU A 50 6.443 -4.437 -13.485 1.00 0.00 C ATOM 768 O LEU A 50 7.179 -5.322 -13.923 1.00 0.00 O ATOM 769 CB LEU A 50 4.238 -3.487 -14.185 1.00 0.00 C ATOM 770 CG LEU A 50 2.743 -3.315 -13.909 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.297 -1.902 -14.249 1.00 0.00 C ATOM 772 CD2 LEU A 50 1.935 -4.336 -14.698 1.00 0.00 C ATOM 0 H LEU A 50 4.220 -3.795 -11.653 1.00 0.00 H new ATOM 0 HA LEU A 50 4.689 -5.573 -13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.744 -2.555 -13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.374 -3.642 -15.255 1.00 0.00 H new ATOM 0 HG LEU A 50 2.567 -3.484 -12.847 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.231 -1.798 -14.046 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.853 -1.189 -13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.487 -1.705 -15.304 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.874 -4.200 -14.490 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.116 -4.198 -15.764 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.236 -5.342 -14.406 1.00 0.00 H new ATOM 784 N ASP A 51 6.900 -3.276 -13.028 1.00 0.00 N ATOM 785 CA ASP A 51 8.325 -2.969 -13.012 1.00 0.00 C ATOM 786 C ASP A 51 8.638 -1.896 -11.973 1.00 0.00 C ATOM 787 O ASP A 51 7.742 -1.394 -11.297 1.00 0.00 O ATOM 788 CB ASP A 51 8.784 -2.505 -14.396 1.00 0.00 C ATOM 789 CG ASP A 51 7.947 -1.360 -14.930 1.00 0.00 C ATOM 790 OD1 ASP A 51 8.165 -0.211 -14.491 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.075 -1.612 -15.787 1.00 0.00 O ATOM 0 H ASP A 51 6.304 -2.532 -12.664 1.00 0.00 H new ATOM 0 HA ASP A 51 8.864 -3.878 -12.744 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.828 -2.195 -14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.734 -3.343 -15.092 1.00 0.00 H new ATOM 796 N ASN A 52 9.916 -1.551 -11.853 1.00 0.00 N ATOM 797 CA ASN A 52 10.347 -0.539 -10.895 1.00 0.00 C ATOM 798 C ASN A 52 10.969 0.656 -11.610 1.00 0.00 C ATOM 799 O ASN A 52 11.160 1.718 -11.016 1.00 0.00 O ATOM 800 CB ASN A 52 11.352 -1.137 -9.908 1.00 0.00 C ATOM 801 CG ASN A 52 11.706 -0.175 -8.790 1.00 0.00 C ATOM 802 OD1 ASN A 52 10.894 0.661 -8.395 1.00 0.00 O ATOM 803 ND2 ASN A 52 12.925 -0.290 -8.276 1.00 0.00 N ATOM 0 H ASN A 52 10.671 -1.957 -12.407 1.00 0.00 H new ATOM 0 HA ASN A 52 9.470 -0.196 -10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.938 -2.050 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.259 -1.418 -10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.221 0.330 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.565 -0.998 -8.635 1.00 0.00 H new ATOM 810 N ASP A 53 11.283 0.477 -12.888 1.00 0.00 N ATOM 811 CA ASP A 53 11.882 1.541 -13.685 1.00 0.00 C ATOM 812 C ASP A 53 10.905 2.697 -13.870 1.00 0.00 C ATOM 813 O ASP A 53 11.291 3.864 -13.811 1.00 0.00 O ATOM 814 CB ASP A 53 12.318 1.002 -15.049 1.00 0.00 C ATOM 815 CG ASP A 53 13.637 0.257 -14.982 1.00 0.00 C ATOM 816 OD1 ASP A 53 14.408 0.499 -14.030 1.00 0.00 O ATOM 817 OD2 ASP A 53 13.897 -0.569 -15.881 1.00 0.00 O ATOM 0 H ASP A 53 11.133 -0.395 -13.395 1.00 0.00 H new ATOM 0 HA ASP A 53 12.758 1.911 -13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.547 0.336 -15.437 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.407 1.830 -15.752 1.00 0.00 H new ATOM 822 N GLN A 54 9.638 2.364 -14.096 1.00 0.00 N ATOM 823 CA GLN A 54 8.606 3.375 -14.292 1.00 0.00 C ATOM 824 C GLN A 54 8.954 4.289 -15.462 1.00 0.00 C ATOM 825 O GLN A 54 8.459 5.412 -15.554 1.00 0.00 O ATOM 826 CB GLN A 54 8.426 4.204 -13.019 1.00 0.00 C ATOM 827 CG GLN A 54 7.179 3.843 -12.228 1.00 0.00 C ATOM 828 CD GLN A 54 6.964 2.346 -12.130 1.00 0.00 C ATOM 829 OE1 GLN A 54 7.919 1.568 -12.128 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.705 1.932 -12.047 1.00 0.00 N ATOM 0 H GLN A 54 9.302 1.402 -14.148 1.00 0.00 H new ATOM 0 HA GLN A 54 7.671 2.863 -14.520 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.301 4.071 -12.382 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.383 5.260 -13.286 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.256 4.262 -11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.309 4.301 -12.699 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.944 2.611 -12.052 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.499 0.935 -11.978 1.00 0.00 H new ATOM 839 N SER A 55 9.808 3.799 -16.355 1.00 0.00 N ATOM 840 CA SER A 55 10.225 4.573 -17.519 1.00 0.00 C ATOM 841 C SER A 55 9.239 4.398 -18.670 1.00 0.00 C ATOM 842 O SER A 55 9.001 5.324 -19.444 1.00 0.00 O ATOM 843 CB SER A 55 11.626 4.149 -17.963 1.00 0.00 C ATOM 844 OG SER A 55 12.624 4.794 -17.191 1.00 0.00 O ATOM 0 H SER A 55 10.225 2.870 -16.295 1.00 0.00 H new ATOM 0 HA SER A 55 10.244 5.626 -17.237 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.730 3.068 -17.867 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.765 4.390 -19.017 1.00 0.00 H new ATOM 0 HG SER A 55 13.510 4.504 -17.494 1.00 0.00 H new ATOM 850 N GLY A 56 8.668 3.202 -18.775 1.00 0.00 N ATOM 851 CA GLY A 56 7.715 2.926 -19.834 1.00 0.00 C ATOM 852 C GLY A 56 7.606 1.446 -20.146 1.00 0.00 C ATOM 853 O GLY A 56 6.507 0.897 -20.209 1.00 0.00 O ATOM 0 H GLY A 56 8.848 2.420 -18.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.735 3.306 -19.545 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.012 3.463 -20.735 1.00 0.00 H new ATOM 857 N PHE A 57 8.750 0.800 -20.343 1.00 0.00 N ATOM 858 CA PHE A 57 8.779 -0.625 -20.653 1.00 0.00 C ATOM 859 C PHE A 57 9.605 -1.389 -19.621 1.00 0.00 C ATOM 860 O PHE A 57 10.056 -0.820 -18.627 1.00 0.00 O ATOM 861 CB PHE A 57 9.354 -0.853 -22.052 1.00 0.00 C ATOM 862 CG PHE A 57 8.509 -0.270 -23.149 1.00 0.00 C ATOM 863 CD1 PHE A 57 8.493 1.097 -23.377 1.00 0.00 C ATOM 864 CD2 PHE A 57 7.731 -1.088 -23.952 1.00 0.00 C ATOM 865 CE1 PHE A 57 7.717 1.636 -24.386 1.00 0.00 C ATOM 866 CE2 PHE A 57 6.953 -0.554 -24.962 1.00 0.00 C ATOM 867 CZ PHE A 57 6.945 0.810 -25.178 1.00 0.00 C ATOM 0 H PHE A 57 9.669 1.240 -20.294 1.00 0.00 H new ATOM 0 HA PHE A 57 7.755 -0.999 -20.623 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.352 -0.417 -22.102 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.466 -1.924 -22.220 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.094 1.748 -22.759 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.732 -2.155 -23.787 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.715 2.703 -24.555 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.352 -1.203 -25.582 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.336 1.230 -25.965 1.00 0.00 H new ATOM 877 N ILE A 58 9.797 -2.681 -19.866 1.00 0.00 N ATOM 878 CA ILE A 58 10.568 -3.523 -18.960 1.00 0.00 C ATOM 879 C ILE A 58 11.648 -4.294 -19.711 1.00 0.00 C ATOM 880 O ILE A 58 11.557 -4.488 -20.923 1.00 0.00 O ATOM 881 CB ILE A 58 9.664 -4.522 -18.214 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.375 -3.836 -17.758 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.402 -5.118 -17.025 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.402 -4.770 -17.075 1.00 0.00 C ATOM 0 H ILE A 58 9.429 -3.167 -20.684 1.00 0.00 H new ATOM 0 HA ILE A 58 11.038 -2.859 -18.235 1.00 0.00 H new ATOM 0 HB ILE A 58 9.401 -5.330 -18.896 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.627 -3.024 -17.075 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.887 -3.385 -18.623 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.750 -5.822 -16.508 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.294 -5.638 -17.374 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.692 -4.321 -16.340 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.512 -4.215 -16.779 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.120 -5.568 -17.762 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.871 -5.201 -16.191 1.00 0.00 H new ATOM 896 N GLU A 59 12.669 -4.733 -18.982 1.00 0.00 N ATOM 897 CA GLU A 59 13.767 -5.485 -19.580 1.00 0.00 C ATOM 898 C GLU A 59 14.155 -6.671 -18.703 1.00 0.00 C ATOM 899 O GLU A 59 13.617 -6.852 -17.611 1.00 0.00 O ATOM 900 CB GLU A 59 14.979 -4.576 -19.795 1.00 0.00 C ATOM 901 CG GLU A 59 15.725 -4.853 -21.089 1.00 0.00 C ATOM 902 CD GLU A 59 16.363 -3.607 -21.672 1.00 0.00 C ATOM 903 OE1 GLU A 59 17.519 -3.306 -21.309 1.00 0.00 O ATOM 904 OE2 GLU A 59 15.706 -2.933 -22.493 1.00 0.00 O ATOM 0 H GLU A 59 12.759 -4.581 -17.977 1.00 0.00 H new ATOM 0 HA GLU A 59 13.431 -5.864 -20.545 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.649 -3.537 -19.791 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.666 -4.696 -18.957 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.497 -5.601 -20.906 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.035 -5.279 -21.818 1.00 0.00 H new ATOM 911 N GLU A 60 15.094 -7.477 -19.189 1.00 0.00 N ATOM 912 CA GLU A 60 15.554 -8.647 -18.450 1.00 0.00 C ATOM 913 C GLU A 60 16.281 -8.233 -17.174 1.00 0.00 C ATOM 914 O GLU A 60 16.388 -9.012 -16.227 1.00 0.00 O ATOM 915 CB GLU A 60 16.477 -9.499 -19.324 1.00 0.00 C ATOM 916 CG GLU A 60 17.738 -8.775 -19.764 1.00 0.00 C ATOM 917 CD GLU A 60 18.360 -9.388 -21.003 1.00 0.00 C ATOM 918 OE1 GLU A 60 17.714 -9.352 -22.071 1.00 0.00 O ATOM 919 OE2 GLU A 60 19.493 -9.904 -20.905 1.00 0.00 O ATOM 0 H GLU A 60 15.551 -7.341 -20.091 1.00 0.00 H new ATOM 0 HA GLU A 60 14.681 -9.238 -18.174 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.757 -10.397 -18.774 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.928 -9.825 -20.208 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.502 -7.729 -19.960 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.464 -8.791 -18.951 1.00 0.00 H new ATOM 926 N ASP A 61 16.781 -7.002 -17.158 1.00 0.00 N ATOM 927 CA ASP A 61 17.498 -6.483 -15.999 1.00 0.00 C ATOM 928 C ASP A 61 16.530 -6.131 -14.874 1.00 0.00 C ATOM 929 O ASP A 61 16.948 -5.783 -13.770 1.00 0.00 O ATOM 930 CB ASP A 61 18.316 -5.252 -16.389 1.00 0.00 C ATOM 931 CG ASP A 61 19.108 -4.690 -15.224 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.145 -5.288 -14.868 1.00 0.00 O ATOM 933 OD2 ASP A 61 18.690 -3.652 -14.669 1.00 0.00 O ATOM 0 H ASP A 61 16.703 -6.345 -17.934 1.00 0.00 H new ATOM 0 HA ASP A 61 18.174 -7.260 -15.642 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.000 -5.515 -17.196 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.647 -4.482 -16.775 1.00 0.00 H new ATOM 938 N GLU A 62 15.236 -6.225 -15.162 1.00 0.00 N ATOM 939 CA GLU A 62 14.210 -5.914 -14.174 1.00 0.00 C ATOM 940 C GLU A 62 13.387 -7.154 -13.835 1.00 0.00 C ATOM 941 O GLU A 62 12.268 -7.052 -13.331 1.00 0.00 O ATOM 942 CB GLU A 62 13.291 -4.805 -14.692 1.00 0.00 C ATOM 943 CG GLU A 62 13.808 -3.405 -14.410 1.00 0.00 C ATOM 944 CD GLU A 62 13.516 -2.949 -12.994 1.00 0.00 C ATOM 945 OE1 GLU A 62 12.439 -3.301 -12.469 1.00 0.00 O ATOM 946 OE2 GLU A 62 14.363 -2.240 -12.411 1.00 0.00 O ATOM 0 H GLU A 62 14.873 -6.514 -16.071 1.00 0.00 H new ATOM 0 HA GLU A 62 14.708 -5.570 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.161 -4.925 -15.767 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.307 -4.918 -14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.884 -3.378 -14.582 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.355 -2.706 -15.113 1.00 0.00 H new ATOM 953 N LEU A 63 13.950 -8.324 -14.116 1.00 0.00 N ATOM 954 CA LEU A 63 13.270 -9.585 -13.842 1.00 0.00 C ATOM 955 C LEU A 63 14.009 -10.382 -12.772 1.00 0.00 C ATOM 956 O LEU A 63 13.417 -10.812 -11.782 1.00 0.00 O ATOM 957 CB LEU A 63 13.155 -10.415 -15.122 1.00 0.00 C ATOM 958 CG LEU A 63 12.722 -9.655 -16.377 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.628 -10.599 -17.566 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.392 -8.955 -16.144 1.00 0.00 C ATOM 0 H LEU A 63 14.875 -8.426 -14.533 1.00 0.00 H new ATOM 0 HA LEU A 63 12.270 -9.356 -13.473 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.121 -10.880 -15.318 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.443 -11.221 -14.946 1.00 0.00 H new ATOM 0 HG LEU A 63 13.474 -8.898 -16.598 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.319 -10.041 -18.450 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.602 -11.055 -17.747 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.896 -11.379 -17.355 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.100 -8.419 -17.047 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.630 -9.694 -15.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.492 -8.249 -15.320 1.00 0.00 H new ATOM 972 N LYS A 64 15.308 -10.572 -12.976 1.00 0.00 N ATOM 973 CA LYS A 64 16.132 -11.313 -12.027 1.00 0.00 C ATOM 974 C LYS A 64 15.873 -10.844 -10.599 1.00 0.00 C ATOM 975 O LYS A 64 15.853 -11.646 -9.666 1.00 0.00 O ATOM 976 CB LYS A 64 17.614 -11.148 -12.369 1.00 0.00 C ATOM 977 CG LYS A 64 18.027 -9.705 -12.605 1.00 0.00 C ATOM 978 CD LYS A 64 19.467 -9.608 -13.081 1.00 0.00 C ATOM 979 CE LYS A 64 19.810 -8.196 -13.533 1.00 0.00 C ATOM 980 NZ LYS A 64 21.222 -7.842 -13.220 1.00 0.00 N ATOM 0 H LYS A 64 15.814 -10.223 -13.790 1.00 0.00 H new ATOM 0 HA LYS A 64 15.865 -12.367 -12.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.214 -11.561 -11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.840 -11.732 -13.261 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.367 -9.253 -13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.909 -9.136 -11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.138 -9.907 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.627 -10.304 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.643 -8.107 -14.606 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.141 -7.486 -13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.393 -6.846 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.399 -7.983 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.862 -8.449 -13.771 1.00 0.00 H new ATOM 994 N TYR A 65 15.674 -9.540 -10.437 1.00 0.00 N ATOM 995 CA TYR A 65 15.418 -8.964 -9.122 1.00 0.00 C ATOM 996 C TYR A 65 13.952 -8.564 -8.980 1.00 0.00 C ATOM 997 O TYR A 65 13.639 -7.463 -8.526 1.00 0.00 O ATOM 998 CB TYR A 65 16.315 -7.747 -8.892 1.00 0.00 C ATOM 999 CG TYR A 65 17.748 -7.961 -9.323 1.00 0.00 C ATOM 1000 CD1 TYR A 65 18.404 -9.157 -9.055 1.00 0.00 C ATOM 1001 CD2 TYR A 65 18.446 -6.968 -10.000 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.714 -9.356 -9.447 1.00 0.00 C ATOM 1003 CE2 TYR A 65 19.756 -7.160 -10.396 1.00 0.00 C ATOM 1004 CZ TYR A 65 20.385 -8.355 -10.117 1.00 0.00 C ATOM 1005 OH TYR A 65 21.689 -8.550 -10.510 1.00 0.00 O ATOM 0 H TYR A 65 15.685 -8.863 -11.200 1.00 0.00 H new ATOM 0 HA TYR A 65 15.644 -9.721 -8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.904 -6.896 -9.435 1.00 0.00 H new ATOM 0 HB3 TYR A 65 16.298 -7.488 -7.833 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.881 -9.944 -8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.957 -6.031 -10.220 1.00 0.00 H new ATOM 0 HE1 TYR A 65 20.210 -10.291 -9.230 1.00 0.00 H new ATOM 0 HE2 TYR A 65 20.284 -6.378 -10.921 1.00 0.00 H new ATOM 0 HH TYR A 65 21.838 -9.502 -10.688 1.00 0.00 H new ATOM 1015 N PHE A 66 13.059 -9.467 -9.370 1.00 0.00 N ATOM 1016 CA PHE A 66 11.626 -9.209 -9.287 1.00 0.00 C ATOM 1017 C PHE A 66 11.059 -9.713 -7.962 1.00 0.00 C ATOM 1018 O PHE A 66 10.338 -8.994 -7.269 1.00 0.00 O ATOM 1019 CB PHE A 66 10.897 -9.879 -10.454 1.00 0.00 C ATOM 1020 CG PHE A 66 9.413 -9.646 -10.447 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.579 -10.433 -9.669 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.853 -8.640 -11.217 1.00 0.00 C ATOM 1023 CE1 PHE A 66 7.213 -10.221 -9.662 1.00 0.00 C ATOM 1024 CE2 PHE A 66 7.488 -8.424 -11.213 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.667 -9.215 -10.434 1.00 0.00 C ATOM 0 H PHE A 66 13.302 -10.383 -9.746 1.00 0.00 H new ATOM 0 HA PHE A 66 11.472 -8.131 -9.342 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.311 -9.508 -11.392 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.088 -10.952 -10.424 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.001 -11.220 -9.062 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.490 -8.017 -11.827 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.573 -10.842 -9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.064 -7.637 -11.819 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.600 -9.047 -10.429 1.00 0.00 H new ATOM 1035 N LEU A 67 11.389 -10.952 -7.617 1.00 0.00 N ATOM 1036 CA LEU A 67 10.914 -11.553 -6.376 1.00 0.00 C ATOM 1037 C LEU A 67 11.206 -10.646 -5.185 1.00 0.00 C ATOM 1038 O LEU A 67 10.465 -10.641 -4.202 1.00 0.00 O ATOM 1039 CB LEU A 67 11.569 -12.919 -6.165 1.00 0.00 C ATOM 1040 CG LEU A 67 11.494 -13.890 -7.344 1.00 0.00 C ATOM 1041 CD1 LEU A 67 12.072 -15.243 -6.959 1.00 0.00 C ATOM 1042 CD2 LEU A 67 10.057 -14.038 -7.822 1.00 0.00 C ATOM 0 H LEU A 67 11.984 -11.561 -8.179 1.00 0.00 H new ATOM 0 HA LEU A 67 9.835 -11.683 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.619 -12.762 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.104 -13.393 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 67 12.088 -13.484 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.010 -15.921 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.115 -15.123 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.506 -15.656 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.022 -14.733 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.441 -14.421 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.677 -13.067 -8.139 1.00 0.00 H new ATOM 1054 N GLN A 68 12.288 -9.881 -5.282 1.00 0.00 N ATOM 1055 CA GLN A 68 12.676 -8.969 -4.212 1.00 0.00 C ATOM 1056 C GLN A 68 11.563 -7.967 -3.921 1.00 0.00 C ATOM 1057 O GLN A 68 11.460 -7.445 -2.811 1.00 0.00 O ATOM 1058 CB GLN A 68 13.960 -8.228 -4.586 1.00 0.00 C ATOM 1059 CG GLN A 68 15.050 -8.328 -3.531 1.00 0.00 C ATOM 1060 CD GLN A 68 16.442 -8.370 -4.131 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.278 -7.511 -3.849 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.698 -9.372 -4.963 1.00 0.00 N ATOM 0 H GLN A 68 12.911 -9.874 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 68 12.854 -9.558 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.339 -8.627 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.726 -7.177 -4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.975 -7.476 -2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.890 -9.225 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.975 -10.062 -5.168 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.618 -9.452 -5.397 1.00 0.00 H new ATOM 1071 N ARG A 69 10.734 -7.702 -4.925 1.00 0.00 N ATOM 1072 CA ARG A 69 9.630 -6.762 -4.777 1.00 0.00 C ATOM 1073 C ARG A 69 8.702 -7.186 -3.642 1.00 0.00 C ATOM 1074 O ARG A 69 8.405 -6.401 -2.742 1.00 0.00 O ATOM 1075 CB ARG A 69 8.841 -6.658 -6.083 1.00 0.00 C ATOM 1076 CG ARG A 69 9.381 -5.607 -7.039 1.00 0.00 C ATOM 1077 CD ARG A 69 10.874 -5.780 -7.272 1.00 0.00 C ATOM 1078 NE ARG A 69 11.668 -4.956 -6.365 1.00 0.00 N ATOM 1079 CZ ARG A 69 12.889 -4.516 -6.650 1.00 0.00 C ATOM 1080 NH1 ARG A 69 13.452 -4.820 -7.811 1.00 0.00 N ATOM 1081 NH2 ARG A 69 13.549 -3.771 -5.773 1.00 0.00 N ATOM 0 H ARG A 69 10.806 -8.125 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 69 10.049 -5.785 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.849 -7.628 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.801 -6.427 -5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.853 -5.673 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.187 -4.613 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.143 -6.828 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.113 -5.518 -8.303 1.00 0.00 H new ATOM 0 HE ARG A 69 11.263 -4.704 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.948 -5.393 -8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.389 -4.481 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.119 -3.535 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.486 -3.434 -5.993 1.00 0.00 H new ATOM 1095 N PHE A 70 8.248 -8.434 -3.692 1.00 0.00 N ATOM 1096 CA PHE A 70 7.353 -8.963 -2.670 1.00 0.00 C ATOM 1097 C PHE A 70 8.133 -9.737 -1.611 1.00 0.00 C ATOM 1098 O PHE A 70 8.125 -9.378 -0.434 1.00 0.00 O ATOM 1099 CB PHE A 70 6.297 -9.870 -3.306 1.00 0.00 C ATOM 1100 CG PHE A 70 5.617 -9.255 -4.495 1.00 0.00 C ATOM 1101 CD1 PHE A 70 6.195 -9.323 -5.752 1.00 0.00 C ATOM 1102 CD2 PHE A 70 4.399 -8.610 -4.356 1.00 0.00 C ATOM 1103 CE1 PHE A 70 5.571 -8.757 -6.848 1.00 0.00 C ATOM 1104 CE2 PHE A 70 3.770 -8.043 -5.448 1.00 0.00 C ATOM 1105 CZ PHE A 70 4.356 -8.118 -6.696 1.00 0.00 C ATOM 0 H PHE A 70 8.485 -9.098 -4.429 1.00 0.00 H new ATOM 0 HA PHE A 70 6.856 -8.121 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.768 -10.805 -3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.546 -10.120 -2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.144 -9.824 -5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.935 -8.550 -3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.033 -8.814 -7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.821 -7.542 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.865 -7.678 -7.552 1.00 0.00 H new ATOM 1115 N GLU A 71 8.806 -10.801 -2.040 1.00 0.00 N ATOM 1116 CA GLU A 71 9.590 -11.626 -1.129 1.00 0.00 C ATOM 1117 C GLU A 71 10.508 -10.764 -0.267 1.00 0.00 C ATOM 1118 O GLU A 71 10.590 -10.946 0.947 1.00 0.00 O ATOM 1119 CB GLU A 71 10.418 -12.646 -1.913 1.00 0.00 C ATOM 1120 CG GLU A 71 11.255 -13.558 -1.032 1.00 0.00 C ATOM 1121 CD GLU A 71 10.414 -14.559 -0.264 1.00 0.00 C ATOM 1122 OE1 GLU A 71 9.808 -14.168 0.755 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.362 -15.734 -0.683 1.00 0.00 O ATOM 0 H GLU A 71 8.824 -11.111 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 71 8.898 -12.157 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.748 -13.256 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.076 -12.115 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.976 -14.093 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.826 -12.953 -0.328 1.00 0.00 H new ATOM 1130 N SER A 72 11.199 -9.824 -0.906 1.00 0.00 N ATOM 1131 CA SER A 72 12.115 -8.936 -0.200 1.00 0.00 C ATOM 1132 C SER A 72 13.261 -9.724 0.427 1.00 0.00 C ATOM 1133 O SER A 72 13.977 -9.220 1.291 1.00 0.00 O ATOM 1134 CB SER A 72 11.368 -8.154 0.882 1.00 0.00 C ATOM 1135 OG SER A 72 12.021 -6.929 1.168 1.00 0.00 O ATOM 0 H SER A 72 11.141 -9.658 -1.911 1.00 0.00 H new ATOM 0 HA SER A 72 12.532 -8.235 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.347 -7.958 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.301 -8.755 1.789 1.00 0.00 H new ATOM 0 HG SER A 72 12.970 -7.098 1.345 1.00 0.00 H new ATOM 1141 N GLY A 73 13.429 -10.967 -0.017 1.00 0.00 N ATOM 1142 CA GLY A 73 14.489 -11.806 0.510 1.00 0.00 C ATOM 1143 C GLY A 73 15.312 -12.457 -0.584 1.00 0.00 C ATOM 1144 O GLY A 73 16.508 -12.691 -0.414 1.00 0.00 O ATOM 0 H GLY A 73 12.850 -11.407 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.142 -11.206 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.055 -12.580 1.143 1.00 0.00 H new ATOM 1148 N ALA A 74 14.669 -12.751 -1.710 1.00 0.00 N ATOM 1149 CA ALA A 74 15.350 -13.378 -2.836 1.00 0.00 C ATOM 1150 C ALA A 74 16.593 -12.590 -3.234 1.00 0.00 C ATOM 1151 O ALA A 74 16.855 -11.513 -2.698 1.00 0.00 O ATOM 1152 CB ALA A 74 14.403 -13.506 -4.020 1.00 0.00 C ATOM 0 H ALA A 74 13.678 -12.565 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 74 15.667 -14.374 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.925 -13.976 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.547 -14.118 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.058 -12.516 -4.319 1.00 0.00 H new ATOM 1158 N ARG A 75 17.357 -13.135 -4.175 1.00 0.00 N ATOM 1159 CA ARG A 75 18.574 -12.483 -4.643 1.00 0.00 C ATOM 1160 C ARG A 75 18.598 -12.404 -6.167 1.00 0.00 C ATOM 1161 O ARG A 75 18.576 -11.317 -6.743 1.00 0.00 O ATOM 1162 CB ARG A 75 19.807 -13.238 -4.142 1.00 0.00 C ATOM 1163 CG ARG A 75 19.561 -14.719 -3.908 1.00 0.00 C ATOM 1164 CD ARG A 75 20.779 -15.552 -4.276 1.00 0.00 C ATOM 1165 NE ARG A 75 20.859 -16.781 -3.492 1.00 0.00 N ATOM 1166 CZ ARG A 75 21.099 -16.805 -2.185 1.00 0.00 C ATOM 1167 NH1 ARG A 75 21.282 -15.673 -1.520 1.00 0.00 N ATOM 1168 NH2 ARG A 75 21.157 -17.964 -1.541 1.00 0.00 N ATOM 0 H ARG A 75 17.155 -14.026 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 75 18.589 -11.469 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.613 -13.122 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 75 20.148 -12.784 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.308 -14.886 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 75 18.705 -15.044 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.741 -15.801 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.682 -14.962 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 75 20.723 -17.670 -3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.239 -14.780 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.466 -15.695 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 75 21.017 -18.837 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 75 21.341 -17.981 -0.538 1.00 0.00 H new ATOM 1182 N VAL A 76 18.643 -13.565 -6.814 1.00 0.00 N ATOM 1183 CA VAL A 76 18.669 -13.628 -8.270 1.00 0.00 C ATOM 1184 C VAL A 76 17.851 -14.807 -8.784 1.00 0.00 C ATOM 1185 O VAL A 76 17.690 -15.814 -8.093 1.00 0.00 O ATOM 1186 CB VAL A 76 20.110 -13.746 -8.802 1.00 0.00 C ATOM 1187 CG1 VAL A 76 20.156 -13.447 -10.292 1.00 0.00 C ATOM 1188 CG2 VAL A 76 21.038 -12.817 -8.034 1.00 0.00 C ATOM 0 H VAL A 76 18.662 -14.474 -6.352 1.00 0.00 H new ATOM 0 HA VAL A 76 18.230 -12.699 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 76 20.452 -14.770 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 76 21.182 -13.535 -10.649 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.524 -14.157 -10.825 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.795 -12.434 -10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.052 -12.913 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.700 -11.787 -8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 76 21.028 -13.084 -6.977 1.00 0.00 H new ATOM 1198 N LEU A 77 17.336 -14.677 -10.002 1.00 0.00 N ATOM 1199 CA LEU A 77 16.534 -15.733 -10.610 1.00 0.00 C ATOM 1200 C LEU A 77 17.325 -16.464 -11.690 1.00 0.00 C ATOM 1201 O LEU A 77 18.520 -16.225 -11.869 1.00 0.00 O ATOM 1202 CB LEU A 77 15.253 -15.147 -11.208 1.00 0.00 C ATOM 1203 CG LEU A 77 14.195 -14.684 -10.206 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.432 -13.486 -10.751 1.00 0.00 C ATOM 1205 CD2 LEU A 77 13.240 -15.821 -9.876 1.00 0.00 C ATOM 0 H LEU A 77 17.460 -13.851 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 77 16.270 -16.449 -9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.524 -14.299 -11.837 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.804 -15.897 -11.860 1.00 0.00 H new ATOM 0 HG LEU A 77 14.699 -14.381 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.683 -13.170 -10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.126 -12.666 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.939 -13.762 -11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.494 -15.474 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.743 -16.154 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.798 -16.651 -9.443 1.00 0.00 H new ATOM 1217 N THR A 78 16.650 -17.355 -12.409 1.00 0.00 N ATOM 1218 CA THR A 78 17.289 -18.121 -13.472 1.00 0.00 C ATOM 1219 C THR A 78 16.913 -17.575 -14.845 1.00 0.00 C ATOM 1220 O THR A 78 15.910 -16.876 -14.993 1.00 0.00 O ATOM 1221 CB THR A 78 16.904 -19.610 -13.401 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.483 -19.755 -13.514 1.00 0.00 O ATOM 1223 CG2 THR A 78 17.380 -20.231 -12.097 1.00 0.00 C ATOM 0 H THR A 78 15.661 -17.564 -12.275 1.00 0.00 H new ATOM 0 HA THR A 78 18.365 -18.025 -13.328 1.00 0.00 H new ATOM 0 HB THR A 78 17.389 -20.127 -14.229 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.065 -19.567 -12.648 1.00 0.00 H new ATOM 0 HG21 THR A 78 17.096 -21.283 -12.070 1.00 0.00 H new ATOM 0 HG22 THR A 78 18.464 -20.146 -12.028 1.00 0.00 H new ATOM 0 HG23 THR A 78 16.921 -19.710 -11.257 1.00 0.00 H new ATOM 1231 N ALA A 79 17.723 -17.899 -15.848 1.00 0.00 N ATOM 1232 CA ALA A 79 17.473 -17.443 -17.209 1.00 0.00 C ATOM 1233 C ALA A 79 16.162 -18.008 -17.746 1.00 0.00 C ATOM 1234 O ALA A 79 15.633 -17.530 -18.749 1.00 0.00 O ATOM 1235 CB ALA A 79 18.630 -17.834 -18.117 1.00 0.00 C ATOM 0 H ALA A 79 18.558 -18.476 -15.743 1.00 0.00 H new ATOM 0 HA ALA A 79 17.389 -16.356 -17.192 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.430 -17.487 -19.131 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.550 -17.377 -17.752 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.740 -18.918 -18.120 1.00 0.00 H new ATOM 1241 N SER A 80 15.644 -19.030 -17.071 1.00 0.00 N ATOM 1242 CA SER A 80 14.397 -19.663 -17.483 1.00 0.00 C ATOM 1243 C SER A 80 13.194 -18.856 -17.006 1.00 0.00 C ATOM 1244 O SER A 80 12.309 -18.517 -17.792 1.00 0.00 O ATOM 1245 CB SER A 80 14.319 -21.089 -16.934 1.00 0.00 C ATOM 1246 OG SER A 80 14.583 -22.042 -17.948 1.00 0.00 O ATOM 0 H SER A 80 16.068 -19.437 -16.237 1.00 0.00 H new ATOM 0 HA SER A 80 14.379 -19.699 -18.572 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.037 -21.209 -16.122 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.329 -21.266 -16.513 1.00 0.00 H new ATOM 0 HG SER A 80 14.095 -22.869 -17.754 1.00 0.00 H new ATOM 1252 N GLU A 81 13.169 -18.551 -15.713 1.00 0.00 N ATOM 1253 CA GLU A 81 12.074 -17.784 -15.130 1.00 0.00 C ATOM 1254 C GLU A 81 11.994 -16.392 -15.751 1.00 0.00 C ATOM 1255 O GLU A 81 10.984 -16.025 -16.354 1.00 0.00 O ATOM 1256 CB GLU A 81 12.252 -17.668 -13.615 1.00 0.00 C ATOM 1257 CG GLU A 81 12.007 -18.971 -12.872 1.00 0.00 C ATOM 1258 CD GLU A 81 12.535 -18.941 -11.451 1.00 0.00 C ATOM 1259 OE1 GLU A 81 13.723 -19.271 -11.253 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.760 -18.588 -10.538 1.00 0.00 O ATOM 0 H GLU A 81 13.894 -18.823 -15.049 1.00 0.00 H new ATOM 0 HA GLU A 81 11.144 -18.312 -15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.264 -17.323 -13.402 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.569 -16.908 -13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.937 -19.179 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.481 -19.789 -13.415 1.00 0.00 H new ATOM 1267 N THR A 82 13.066 -15.621 -15.600 1.00 0.00 N ATOM 1268 CA THR A 82 13.118 -14.269 -16.143 1.00 0.00 C ATOM 1269 C THR A 82 12.686 -14.247 -17.605 1.00 0.00 C ATOM 1270 O THR A 82 11.874 -13.415 -18.011 1.00 0.00 O ATOM 1271 CB THR A 82 14.533 -13.672 -16.029 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.483 -14.539 -16.658 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.917 -13.463 -14.572 1.00 0.00 C ATOM 0 H THR A 82 13.910 -15.910 -15.106 1.00 0.00 H new ATOM 0 HA THR A 82 12.428 -13.665 -15.554 1.00 0.00 H new ATOM 0 HB THR A 82 14.536 -12.705 -16.531 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.629 -15.328 -16.095 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.920 -13.041 -14.517 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.209 -12.779 -14.104 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.897 -14.419 -14.050 1.00 0.00 H new ATOM 1281 N LYS A 83 13.231 -15.168 -18.392 1.00 0.00 N ATOM 1282 CA LYS A 83 12.901 -15.257 -19.810 1.00 0.00 C ATOM 1283 C LYS A 83 11.391 -15.227 -20.019 1.00 0.00 C ATOM 1284 O LYS A 83 10.887 -14.515 -20.888 1.00 0.00 O ATOM 1285 CB LYS A 83 13.485 -16.537 -20.412 1.00 0.00 C ATOM 1286 CG LYS A 83 12.974 -16.840 -21.809 1.00 0.00 C ATOM 1287 CD LYS A 83 13.757 -17.970 -22.456 1.00 0.00 C ATOM 1288 CE LYS A 83 15.026 -17.459 -23.122 1.00 0.00 C ATOM 1289 NZ LYS A 83 14.751 -16.872 -24.462 1.00 0.00 N ATOM 0 H LYS A 83 13.904 -15.864 -18.072 1.00 0.00 H new ATOM 0 HA LYS A 83 13.337 -14.395 -20.314 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.571 -16.452 -20.442 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.249 -17.377 -19.758 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.919 -17.108 -21.761 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.048 -15.945 -22.427 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.015 -18.714 -21.702 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.132 -18.470 -23.196 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.493 -16.708 -22.485 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.738 -18.278 -23.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.641 -16.535 -24.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.329 -17.596 -25.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.091 -16.074 -24.363 1.00 0.00 H new ATOM 1303 N THR A 84 10.671 -16.005 -19.216 1.00 0.00 N ATOM 1304 CA THR A 84 9.218 -16.068 -19.314 1.00 0.00 C ATOM 1305 C THR A 84 8.561 -15.031 -18.410 1.00 0.00 C ATOM 1306 O THR A 84 7.582 -15.322 -17.723 1.00 0.00 O ATOM 1307 CB THR A 84 8.690 -17.466 -18.940 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.267 -17.510 -19.097 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.059 -17.819 -17.507 1.00 0.00 C ATOM 0 H THR A 84 11.071 -16.600 -18.491 1.00 0.00 H new ATOM 0 HA THR A 84 8.962 -15.856 -20.352 1.00 0.00 H new ATOM 0 HB THR A 84 9.151 -18.195 -19.606 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.858 -16.788 -18.575 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.675 -18.810 -17.266 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.144 -17.813 -17.399 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.623 -17.086 -16.828 1.00 0.00 H new ATOM 1317 N PHE A 85 9.106 -13.819 -18.415 1.00 0.00 N ATOM 1318 CA PHE A 85 8.572 -12.737 -17.595 1.00 0.00 C ATOM 1319 C PHE A 85 8.479 -11.442 -18.396 1.00 0.00 C ATOM 1320 O PHE A 85 7.512 -10.689 -18.272 1.00 0.00 O ATOM 1321 CB PHE A 85 9.450 -12.525 -16.360 1.00 0.00 C ATOM 1322 CG PHE A 85 8.670 -12.193 -15.120 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.268 -10.892 -14.865 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.338 -13.183 -14.209 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.550 -10.584 -13.725 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.620 -12.881 -13.068 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.226 -11.579 -12.825 1.00 0.00 C ATOM 0 H PHE A 85 9.917 -13.561 -18.977 1.00 0.00 H new ATOM 0 HA PHE A 85 7.568 -13.018 -17.275 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.035 -13.427 -16.181 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.158 -11.721 -16.561 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.519 -10.109 -15.565 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.644 -14.202 -14.393 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.243 -9.566 -13.539 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.367 -13.662 -12.366 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.666 -11.341 -11.933 1.00 0.00 H new ATOM 1337 N LEU A 86 9.491 -11.188 -19.218 1.00 0.00 N ATOM 1338 CA LEU A 86 9.526 -9.984 -20.041 1.00 0.00 C ATOM 1339 C LEU A 86 9.399 -10.331 -21.520 1.00 0.00 C ATOM 1340 O LEU A 86 8.809 -9.578 -22.296 1.00 0.00 O ATOM 1341 CB LEU A 86 10.824 -9.212 -19.796 1.00 0.00 C ATOM 1342 CG LEU A 86 10.988 -7.908 -20.578 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.556 -8.184 -21.961 1.00 0.00 C ATOM 1344 CD2 LEU A 86 9.656 -7.178 -20.682 1.00 0.00 C ATOM 0 H LEU A 86 10.299 -11.800 -19.332 1.00 0.00 H new ATOM 0 HA LEU A 86 8.679 -9.358 -19.760 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.893 -8.985 -18.732 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.663 -9.865 -20.038 1.00 0.00 H new ATOM 0 HG LEU A 86 11.689 -7.269 -20.041 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.666 -7.245 -22.503 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.530 -8.664 -21.865 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.880 -8.841 -22.507 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.791 -6.252 -21.241 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.933 -7.811 -21.197 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.289 -6.947 -19.682 1.00 0.00 H new ATOM 1356 N ALA A 87 9.953 -11.476 -21.904 1.00 0.00 N ATOM 1357 CA ALA A 87 9.898 -11.925 -23.290 1.00 0.00 C ATOM 1358 C ALA A 87 8.884 -13.050 -23.462 1.00 0.00 C ATOM 1359 O ALA A 87 8.984 -13.852 -24.390 1.00 0.00 O ATOM 1360 CB ALA A 87 11.275 -12.377 -23.753 1.00 0.00 C ATOM 0 H ALA A 87 10.445 -12.110 -21.275 1.00 0.00 H new ATOM 0 HA ALA A 87 9.577 -11.085 -23.906 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.219 -12.710 -24.790 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.976 -11.546 -23.676 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.618 -13.200 -23.126 1.00 0.00 H new ATOM 1366 N ALA A 88 7.907 -13.104 -22.562 1.00 0.00 N ATOM 1367 CA ALA A 88 6.874 -14.130 -22.616 1.00 0.00 C ATOM 1368 C ALA A 88 5.639 -13.627 -23.355 1.00 0.00 C ATOM 1369 O ALA A 88 5.111 -14.306 -24.236 1.00 0.00 O ATOM 1370 CB ALA A 88 6.504 -14.581 -21.211 1.00 0.00 C ATOM 0 H ALA A 88 7.810 -12.448 -21.787 1.00 0.00 H new ATOM 0 HA ALA A 88 7.272 -14.983 -23.166 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.731 -15.348 -21.267 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.385 -14.989 -20.716 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.130 -13.730 -20.642 1.00 0.00 H new ATOM 1376 N ALA A 89 5.181 -12.434 -22.990 1.00 0.00 N ATOM 1377 CA ALA A 89 4.009 -11.840 -23.620 1.00 0.00 C ATOM 1378 C ALA A 89 4.145 -11.834 -25.138 1.00 0.00 C ATOM 1379 O ALA A 89 3.454 -12.577 -25.836 1.00 0.00 O ATOM 1380 CB ALA A 89 3.791 -10.426 -23.102 1.00 0.00 C ATOM 0 H ALA A 89 5.604 -11.860 -22.261 1.00 0.00 H new ATOM 0 HA ALA A 89 3.142 -12.448 -23.362 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.912 -9.994 -23.581 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.639 -10.453 -22.023 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.665 -9.816 -23.330 1.00 0.00 H new ATOM 1386 N ASP A 90 5.039 -10.991 -25.644 1.00 0.00 N ATOM 1387 CA ASP A 90 5.265 -10.889 -27.081 1.00 0.00 C ATOM 1388 C ASP A 90 6.369 -9.881 -27.387 1.00 0.00 C ATOM 1389 O ASP A 90 7.060 -9.409 -26.483 1.00 0.00 O ATOM 1390 CB ASP A 90 3.975 -10.483 -27.795 1.00 0.00 C ATOM 1391 CG ASP A 90 3.805 -11.186 -29.127 1.00 0.00 C ATOM 1392 OD1 ASP A 90 4.199 -12.366 -29.229 1.00 0.00 O ATOM 1393 OD2 ASP A 90 3.278 -10.556 -30.068 1.00 0.00 O ATOM 0 H ASP A 90 5.619 -10.369 -25.081 1.00 0.00 H new ATOM 0 HA ASP A 90 5.579 -11.867 -27.444 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.122 -10.711 -27.156 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.975 -9.405 -27.954 1.00 0.00 H new ATOM 1398 N HIS A 91 6.531 -9.558 -28.666 1.00 0.00 N ATOM 1399 CA HIS A 91 7.552 -8.607 -29.091 1.00 0.00 C ATOM 1400 C HIS A 91 7.005 -7.665 -30.159 1.00 0.00 C ATOM 1401 O HIS A 91 7.496 -7.640 -31.288 1.00 0.00 O ATOM 1402 CB HIS A 91 8.778 -9.347 -29.625 1.00 0.00 C ATOM 1403 CG HIS A 91 8.442 -10.446 -30.586 1.00 0.00 C ATOM 1404 ND1 HIS A 91 8.590 -10.323 -31.952 1.00 0.00 N ATOM 1405 CD2 HIS A 91 7.965 -11.694 -30.372 1.00 0.00 C ATOM 1406 CE1 HIS A 91 8.217 -11.447 -32.536 1.00 0.00 C ATOM 1407 NE2 HIS A 91 7.833 -12.296 -31.599 1.00 0.00 N ATOM 0 H HIS A 91 5.969 -9.941 -29.426 1.00 0.00 H new ATOM 0 HA HIS A 91 7.845 -8.014 -28.225 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.437 -8.633 -30.118 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.333 -9.766 -28.786 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.731 -12.135 -29.414 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.224 -11.640 -33.599 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.494 -13.244 -31.761 1.00 0.00 H new ATOM 1415 N ASP A 92 5.987 -6.893 -29.796 1.00 0.00 N ATOM 1416 CA ASP A 92 5.374 -5.949 -30.723 1.00 0.00 C ATOM 1417 C ASP A 92 6.426 -5.032 -31.340 1.00 0.00 C ATOM 1418 O ASP A 92 6.421 -4.788 -32.546 1.00 0.00 O ATOM 1419 CB ASP A 92 4.310 -5.115 -30.007 1.00 0.00 C ATOM 1420 CG ASP A 92 3.897 -3.894 -30.805 1.00 0.00 C ATOM 1421 OD1 ASP A 92 3.160 -4.057 -31.800 1.00 0.00 O ATOM 1422 OD2 ASP A 92 4.311 -2.776 -30.435 1.00 0.00 O ATOM 0 H ASP A 92 5.569 -6.902 -28.866 1.00 0.00 H new ATOM 0 HA ASP A 92 4.900 -6.519 -31.522 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.434 -5.735 -29.817 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.693 -4.799 -29.037 1.00 0.00 H new ATOM 1427 N GLY A 93 7.327 -4.526 -30.503 1.00 0.00 N ATOM 1428 CA GLY A 93 8.372 -3.641 -30.985 1.00 0.00 C ATOM 1429 C GLY A 93 9.718 -4.330 -31.078 1.00 0.00 C ATOM 1430 O GLY A 93 10.182 -4.655 -32.171 1.00 0.00 O ATOM 0 H GLY A 93 7.352 -4.713 -29.501 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.095 -3.258 -31.967 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.452 -2.782 -30.319 1.00 0.00 H new ATOM 1434 N ASP A 94 10.348 -4.553 -29.930 1.00 0.00 N ATOM 1435 CA ASP A 94 11.650 -5.208 -29.887 1.00 0.00 C ATOM 1436 C ASP A 94 11.710 -6.224 -28.751 1.00 0.00 C ATOM 1437 O ASP A 94 12.789 -6.591 -28.288 1.00 0.00 O ATOM 1438 CB ASP A 94 12.761 -4.170 -29.719 1.00 0.00 C ATOM 1439 CG ASP A 94 13.997 -4.508 -30.530 1.00 0.00 C ATOM 1440 OD1 ASP A 94 14.096 -5.658 -31.007 1.00 0.00 O ATOM 1441 OD2 ASP A 94 14.864 -3.624 -30.687 1.00 0.00 O ATOM 0 H ASP A 94 9.978 -4.290 -29.017 1.00 0.00 H new ATOM 0 HA ASP A 94 11.795 -5.735 -30.830 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.388 -3.191 -30.021 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.030 -4.097 -28.665 1.00 0.00 H new ATOM 1446 N GLY A 95 10.541 -6.674 -28.304 1.00 0.00 N ATOM 1447 CA GLY A 95 10.483 -7.643 -27.225 1.00 0.00 C ATOM 1448 C GLY A 95 10.363 -6.987 -25.863 1.00 0.00 C ATOM 1449 O GLY A 95 10.572 -7.631 -24.835 1.00 0.00 O ATOM 0 H GLY A 95 9.634 -6.385 -28.670 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.632 -8.306 -27.382 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.379 -8.263 -27.249 1.00 0.00 H new ATOM 1453 N LYS A 96 10.027 -5.702 -25.855 1.00 0.00 N ATOM 1454 CA LYS A 96 9.880 -4.957 -24.610 1.00 0.00 C ATOM 1455 C LYS A 96 8.409 -4.695 -24.304 1.00 0.00 C ATOM 1456 O LYS A 96 7.696 -4.092 -25.106 1.00 0.00 O ATOM 1457 CB LYS A 96 10.638 -3.630 -24.693 1.00 0.00 C ATOM 1458 CG LYS A 96 10.309 -2.818 -25.933 1.00 0.00 C ATOM 1459 CD LYS A 96 11.456 -2.830 -26.929 1.00 0.00 C ATOM 1460 CE LYS A 96 12.492 -1.767 -26.600 1.00 0.00 C ATOM 1461 NZ LYS A 96 12.143 -0.448 -27.197 1.00 0.00 N ATOM 0 H LYS A 96 9.851 -5.154 -26.697 1.00 0.00 H new ATOM 0 HA LYS A 96 10.300 -5.559 -23.804 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.410 -3.035 -23.808 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.709 -3.831 -24.674 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.412 -3.220 -26.405 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.085 -1.790 -25.647 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.929 -3.812 -26.929 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.068 -2.663 -27.934 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.576 -1.665 -25.518 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.468 -2.085 -26.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.874 0.249 -26.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.087 -0.539 -28.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.224 -0.132 -26.827 1.00 0.00 H new ATOM 1475 N ILE A 97 7.962 -5.151 -23.138 1.00 0.00 N ATOM 1476 CA ILE A 97 6.577 -4.963 -22.725 1.00 0.00 C ATOM 1477 C ILE A 97 6.388 -3.620 -22.030 1.00 0.00 C ATOM 1478 O ILE A 97 7.289 -3.127 -21.353 1.00 0.00 O ATOM 1479 CB ILE A 97 6.114 -6.088 -21.780 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.306 -7.453 -22.444 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.658 -5.884 -21.388 1.00 0.00 C ATOM 1482 CD1 ILE A 97 6.041 -8.618 -21.516 1.00 0.00 C ATOM 0 H ILE A 97 8.539 -5.653 -22.463 1.00 0.00 H new ATOM 0 HA ILE A 97 5.971 -4.988 -23.631 1.00 0.00 H new ATOM 0 HB ILE A 97 6.722 -6.056 -20.876 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.641 -7.526 -23.305 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.326 -7.524 -22.822 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.345 -6.687 -20.720 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.549 -4.926 -20.880 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.036 -5.893 -22.283 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.196 -9.554 -22.053 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.723 -8.569 -20.667 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.013 -8.571 -21.158 1.00 0.00 H new ATOM 1494 N GLY A 98 5.207 -3.032 -22.200 1.00 0.00 N ATOM 1495 CA GLY A 98 4.919 -1.752 -21.581 1.00 0.00 C ATOM 1496 C GLY A 98 3.623 -1.765 -20.796 1.00 0.00 C ATOM 1497 O GLY A 98 3.619 -2.032 -19.594 1.00 0.00 O ATOM 0 H GLY A 98 4.445 -3.420 -22.756 1.00 0.00 H new ATOM 0 HA2 GLY A 98 5.740 -1.481 -20.917 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.865 -0.983 -22.352 1.00 0.00 H new ATOM 1501 N ALA A 99 2.518 -1.474 -21.475 1.00 0.00 N ATOM 1502 CA ALA A 99 1.210 -1.454 -20.834 1.00 0.00 C ATOM 1503 C ALA A 99 0.128 -1.972 -21.777 1.00 0.00 C ATOM 1504 O ALA A 99 -1.045 -1.629 -21.637 1.00 0.00 O ATOM 1505 CB ALA A 99 0.874 -0.046 -20.364 1.00 0.00 C ATOM 0 H ALA A 99 2.503 -1.249 -22.470 1.00 0.00 H new ATOM 0 HA ALA A 99 1.247 -2.115 -19.968 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.106 -0.046 -19.887 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.626 0.288 -19.649 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.861 0.630 -21.219 1.00 0.00 H new ATOM 1511 N GLU A 100 0.532 -2.798 -22.736 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.403 -3.361 -23.703 1.00 0.00 C ATOM 1513 C GLU A 100 -0.323 -4.885 -23.714 1.00 0.00 C ATOM 1514 O GLU A 100 -1.331 -5.568 -23.892 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.116 -2.814 -25.102 1.00 0.00 C ATOM 1516 CG GLU A 100 -0.152 -1.297 -25.182 1.00 0.00 C ATOM 1517 CD GLU A 100 0.039 -0.782 -26.596 1.00 0.00 C ATOM 1518 OE1 GLU A 100 1.196 -0.763 -27.068 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -0.966 -0.400 -27.230 1.00 0.00 O ATOM 0 H GLU A 100 1.500 -3.092 -22.864 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.411 -3.070 -23.407 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.865 -3.163 -25.425 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.846 -3.224 -25.800 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.106 -0.939 -24.795 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.627 -0.885 -24.541 1.00 0.00 H new ATOM 1526 N GLU A 101 0.883 -5.409 -23.523 1.00 0.00 N ATOM 1527 CA GLU A 101 1.095 -6.852 -23.512 1.00 0.00 C ATOM 1528 C GLU A 101 0.983 -7.408 -22.095 1.00 0.00 C ATOM 1529 O GLU A 101 0.340 -8.433 -21.868 1.00 0.00 O ATOM 1530 CB GLU A 101 2.467 -7.193 -24.099 1.00 0.00 C ATOM 1531 CG GLU A 101 2.720 -6.565 -25.459 1.00 0.00 C ATOM 1532 CD GLU A 101 3.754 -7.323 -26.268 1.00 0.00 C ATOM 1533 OE1 GLU A 101 4.389 -8.241 -25.709 1.00 0.00 O ATOM 1534 OE2 GLU A 101 3.929 -6.996 -27.461 1.00 0.00 O ATOM 0 H GLU A 101 1.728 -4.857 -23.374 1.00 0.00 H new ATOM 0 HA GLU A 101 0.321 -7.312 -24.126 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.241 -6.863 -23.406 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.557 -8.276 -24.186 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.784 -6.526 -26.017 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.053 -5.536 -25.324 1.00 0.00 H new ATOM 1541 N PHE A 102 1.616 -6.725 -21.147 1.00 0.00 N ATOM 1542 CA PHE A 102 1.589 -7.151 -19.752 1.00 0.00 C ATOM 1543 C PHE A 102 0.161 -7.436 -19.297 1.00 0.00 C ATOM 1544 O PHE A 102 -0.073 -8.316 -18.469 1.00 0.00 O ATOM 1545 CB PHE A 102 2.217 -6.079 -18.858 1.00 0.00 C ATOM 1546 CG PHE A 102 2.636 -6.593 -17.510 1.00 0.00 C ATOM 1547 CD1 PHE A 102 1.689 -6.974 -16.574 1.00 0.00 C ATOM 1548 CD2 PHE A 102 3.978 -6.696 -17.181 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.072 -7.448 -15.333 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.367 -7.169 -15.942 1.00 0.00 C ATOM 1551 CZ PHE A 102 3.412 -7.545 -15.016 1.00 0.00 C ATOM 0 H PHE A 102 2.153 -5.875 -21.319 1.00 0.00 H new ATOM 0 HA PHE A 102 2.168 -8.071 -19.668 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.086 -5.659 -19.364 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.503 -5.266 -18.722 1.00 0.00 H new ATOM 0 HD1 PHE A 102 0.639 -6.900 -16.816 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.728 -6.403 -17.901 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.323 -7.742 -14.612 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.416 -7.245 -15.697 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.714 -7.914 -14.047 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.789 -6.686 -19.846 1.00 0.00 N ATOM 1562 CA GLN A 103 -2.194 -6.858 -19.496 1.00 0.00 C ATOM 1563 C GLN A 103 -2.702 -8.227 -19.935 1.00 0.00 C ATOM 1564 O GLN A 103 -3.105 -9.044 -19.108 1.00 0.00 O ATOM 1565 CB GLN A 103 -3.040 -5.757 -20.139 1.00 0.00 C ATOM 1566 CG GLN A 103 -3.206 -4.527 -19.262 1.00 0.00 C ATOM 1567 CD GLN A 103 -1.879 -3.919 -18.851 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -1.687 -3.546 -17.693 1.00 0.00 O ATOM 1569 NE2 GLN A 103 -0.955 -3.818 -19.799 1.00 0.00 N ATOM 0 H GLN A 103 -0.612 -5.954 -20.534 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.283 -6.789 -18.412 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.580 -5.461 -21.082 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.025 -6.159 -20.377 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.793 -3.781 -19.797 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.770 -4.796 -18.369 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.158 -4.140 -20.745 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.042 -3.418 -19.581 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.678 -8.470 -21.242 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.137 -9.741 -21.790 1.00 0.00 C ATOM 1580 C GLU A 104 -2.417 -10.912 -21.127 1.00 0.00 C ATOM 1581 O GLU A 104 -2.936 -12.027 -21.079 1.00 0.00 O ATOM 1582 CB GLU A 104 -2.911 -9.781 -23.303 1.00 0.00 C ATOM 1583 CG GLU A 104 -3.870 -8.898 -24.085 1.00 0.00 C ATOM 1584 CD GLU A 104 -3.747 -9.089 -25.584 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -3.424 -10.216 -26.014 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -3.974 -8.112 -26.328 1.00 0.00 O ATOM 0 H GLU A 104 -2.346 -7.804 -21.940 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.204 -9.830 -21.586 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.888 -9.471 -23.517 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.012 -10.809 -23.650 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.893 -9.117 -23.777 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.679 -7.853 -23.839 1.00 0.00 H new ATOM 1593 N MET A 105 -1.219 -10.649 -20.616 1.00 0.00 N ATOM 1594 CA MET A 105 -0.428 -11.680 -19.955 1.00 0.00 C ATOM 1595 C MET A 105 -1.088 -12.121 -18.652 1.00 0.00 C ATOM 1596 O MET A 105 -0.901 -13.250 -18.201 1.00 0.00 O ATOM 1597 CB MET A 105 0.986 -11.167 -19.675 1.00 0.00 C ATOM 1598 CG MET A 105 1.702 -11.929 -18.571 1.00 0.00 C ATOM 1599 SD MET A 105 3.127 -11.035 -17.922 1.00 0.00 S ATOM 1600 CE MET A 105 3.838 -10.389 -19.434 1.00 0.00 C ATOM 0 H MET A 105 -0.775 -9.731 -20.647 1.00 0.00 H new ATOM 0 HA MET A 105 -0.370 -12.540 -20.622 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.575 -11.231 -20.590 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.934 -10.113 -19.403 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.002 -12.128 -17.759 1.00 0.00 H new ATOM 0 HG3 MET A 105 2.028 -12.896 -18.955 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.678 -9.738 -19.192 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.186 -11.215 -20.054 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.083 -9.820 -19.977 1.00 0.00 H new ATOM 1610 N VAL A 106 -1.862 -11.221 -18.053 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.551 -11.517 -16.802 1.00 0.00 C ATOM 1612 C VAL A 106 -4.062 -11.542 -17.000 1.00 0.00 C ATOM 1613 O VAL A 106 -4.691 -12.597 -16.920 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.204 -10.486 -15.712 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -2.793 -10.905 -14.374 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -0.697 -10.309 -15.608 1.00 0.00 C ATOM 0 H VAL A 106 -2.028 -10.281 -18.414 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.213 -12.502 -16.480 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.642 -9.527 -15.990 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.537 -10.164 -13.616 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.877 -10.977 -14.460 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.387 -11.875 -14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.469 -9.577 -14.833 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.235 -11.263 -15.353 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.305 -9.960 -16.563 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.639 -10.373 -17.260 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.078 -10.261 -17.469 1.00 0.00 C ATOM 1628 C GLN A 107 -6.506 -11.020 -18.721 1.00 0.00 C ATOM 1629 O GLN A 107 -7.632 -11.510 -18.807 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.485 -8.791 -17.585 1.00 0.00 C ATOM 1631 CG GLN A 107 -5.724 -8.032 -18.660 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.549 -6.928 -19.290 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -6.498 -6.712 -20.501 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -7.316 -6.220 -18.469 1.00 0.00 N ATOM 0 H GLN A 107 -4.132 -9.491 -17.331 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.581 -10.703 -16.609 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.552 -8.734 -17.798 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.325 -8.302 -16.624 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -4.821 -7.603 -18.226 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -5.405 -8.729 -19.435 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.328 -6.433 -17.472 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.893 -5.463 -18.836 1.00 0.00 H new ATOM 1643 N SER A 108 -5.601 -11.112 -19.690 1.00 0.00 N ATOM 1644 CA SER A 108 -5.887 -11.808 -20.940 1.00 0.00 C ATOM 1645 C SER A 108 -7.195 -11.314 -21.549 1.00 0.00 C ATOM 1646 O SER A 108 -7.915 -12.072 -22.196 1.00 0.00 O ATOM 1647 CB SER A 108 -5.960 -13.317 -20.702 1.00 0.00 C ATOM 1648 OG SER A 108 -6.062 -14.022 -21.928 1.00 0.00 O ATOM 0 H SER A 108 -4.664 -10.714 -19.634 1.00 0.00 H new ATOM 0 HA SER A 108 -5.078 -11.596 -21.639 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.072 -13.647 -20.162 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.820 -13.548 -20.073 1.00 0.00 H new ATOM 0 HG SER A 108 -6.824 -13.679 -22.440 1.00 0.00 H new TER 1654 SER A 108