USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=29 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 78 THR OG1 : rot -160:sc= 0.872 USER MOD Set 1.2: A 80 SER OG : rot -43:sc= 0.205 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 42 GLN :FLIP amide:sc= -0.117 F(o=-2.9!,f=-0.12) USER MOD Set 3.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -130:sc= -0.877 (180deg=-4.57!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -150:sc= -0.585 USER MOD Single : A 18 CYS SG : rot 159:sc= -0.103 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 70:sc= 0.0131 USER MOD Single : A 25 SER OG : rot 180:sc= -0.466 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 0.146 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.21 K(o=1.2,f=-0.04) USER MOD Single : A 33 SER OG : rot 60:sc= -0.839 USER MOD Single : A 35 MET CE :methyl -144:sc= -3.06 (180deg=-7.59!) USER MOD Single : A 36 SER OG : rot 105:sc= 0.0576 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -115:sc= -0.857 (180deg=-4.37!) USER MOD Single : A 40 SER OG : rot -51:sc= 1.05 USER MOD Single : A 41 SER OG : rot -19:sc= 0.52 USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= 0.487 (180deg=-1.21) USER MOD Single : A 52 ASN : amide:sc=-0.00586 K(o=-0.0059,f=-0.84) USER MOD Single : A 54 GLN : amide:sc= -2.49 K(o=-2.5,f=-3.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0388 F(o=-0.84,f=-0.039) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -110:sc= 1.27 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -54:sc= 0.769 USER MOD Single : A 91 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -5.39! C(o=-5.4!,f=-5!) USER MOD Single : A 105 MET CE :methyl 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 107 GLN :FLIP amide:sc= -1.22! F(o=-2.2,f=-1.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.600 -1.032 -0.156 1.00 0.00 N ATOM 2 CA SER A 1 0.934 -0.741 -1.546 1.00 0.00 C ATOM 3 C SER A 1 1.383 -2.005 -2.273 1.00 0.00 C ATOM 4 O SER A 1 0.932 -2.290 -3.383 1.00 0.00 O ATOM 5 CB SER A 1 2.034 0.319 -1.616 1.00 0.00 C ATOM 6 OG SER A 1 2.220 0.774 -2.946 1.00 0.00 O ATOM 0 H1 SER A 1 -0.334 -0.632 0.068 1.00 0.00 H new ATOM 0 H2 SER A 1 0.579 -2.062 -0.012 1.00 0.00 H new ATOM 0 H3 SER A 1 1.316 -0.610 0.469 1.00 0.00 H new ATOM 0 HA SER A 1 0.039 -0.359 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.774 1.160 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.968 -0.096 -1.236 1.00 0.00 H new ATOM 0 HG SER A 1 2.927 1.452 -2.964 1.00 0.00 H new ATOM 12 N LEU A 2 2.273 -2.760 -1.639 1.00 0.00 N ATOM 13 CA LEU A 2 2.785 -3.994 -2.224 1.00 0.00 C ATOM 14 C LEU A 2 1.673 -5.028 -2.372 1.00 0.00 C ATOM 15 O LEU A 2 1.185 -5.278 -3.474 1.00 0.00 O ATOM 16 CB LEU A 2 3.913 -4.562 -1.360 1.00 0.00 C ATOM 17 CG LEU A 2 4.468 -5.920 -1.790 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.503 -5.750 -2.890 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.069 -6.651 -0.598 1.00 0.00 C ATOM 0 H LEU A 2 2.655 -2.539 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 2 3.176 -3.763 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.733 -3.844 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.551 -4.648 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 2 3.646 -6.519 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.887 -6.727 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.042 -5.268 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.324 -5.133 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.459 -7.616 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.878 -6.055 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.300 -6.806 0.159 1.00 0.00 H new ATOM 31 N THR A 3 1.274 -5.626 -1.253 1.00 0.00 N ATOM 32 CA THR A 3 0.220 -6.631 -1.257 1.00 0.00 C ATOM 33 C THR A 3 -1.108 -6.038 -0.799 1.00 0.00 C ATOM 34 O THR A 3 -2.005 -6.761 -0.365 1.00 0.00 O ATOM 35 CB THR A 3 0.576 -7.824 -0.350 1.00 0.00 C ATOM 36 OG1 THR A 3 0.825 -7.367 0.984 1.00 0.00 O ATOM 37 CG2 THR A 3 1.800 -8.558 -0.876 1.00 0.00 C ATOM 0 H THR A 3 1.666 -5.431 -0.332 1.00 0.00 H new ATOM 0 HA THR A 3 0.123 -6.982 -2.284 1.00 0.00 H new ATOM 0 HB THR A 3 -0.268 -8.514 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.474 -7.960 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.032 -9.396 -0.219 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.598 -8.930 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.649 -7.875 -0.906 1.00 0.00 H new ATOM 45 N ASP A 4 -1.227 -4.719 -0.899 1.00 0.00 N ATOM 46 CA ASP A 4 -2.446 -4.028 -0.496 1.00 0.00 C ATOM 47 C ASP A 4 -3.536 -4.189 -1.552 1.00 0.00 C ATOM 48 O ASP A 4 -4.639 -4.648 -1.254 1.00 0.00 O ATOM 49 CB ASP A 4 -2.163 -2.544 -0.260 1.00 0.00 C ATOM 50 CG ASP A 4 -3.355 -1.812 0.324 1.00 0.00 C ATOM 51 OD1 ASP A 4 -4.233 -2.482 0.908 1.00 0.00 O ATOM 52 OD2 ASP A 4 -3.411 -0.571 0.197 1.00 0.00 O ATOM 0 H ASP A 4 -0.494 -4.106 -1.256 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.797 -4.475 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.312 -2.442 0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.880 -2.077 -1.203 1.00 0.00 H new ATOM 57 N ILE A 5 -3.219 -3.807 -2.785 1.00 0.00 N ATOM 58 CA ILE A 5 -4.170 -3.909 -3.884 1.00 0.00 C ATOM 59 C ILE A 5 -4.655 -5.345 -4.061 1.00 0.00 C ATOM 60 O ILE A 5 -5.734 -5.585 -4.603 1.00 0.00 O ATOM 61 CB ILE A 5 -3.555 -3.420 -5.209 1.00 0.00 C ATOM 62 CG1 ILE A 5 -4.457 -2.368 -5.857 1.00 0.00 C ATOM 63 CG2 ILE A 5 -3.334 -4.592 -6.154 1.00 0.00 C ATOM 64 CD1 ILE A 5 -4.329 -0.996 -5.235 1.00 0.00 C ATOM 0 H ILE A 5 -2.311 -3.424 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.016 -3.271 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.589 -2.962 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.218 -2.300 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.494 -2.696 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.899 -4.231 -7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.656 -5.310 -5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.288 -5.076 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.997 -0.302 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.597 -1.049 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.301 -0.647 -5.332 1.00 0.00 H new ATOM 76 N LEU A 6 -3.851 -6.295 -3.597 1.00 0.00 N ATOM 77 CA LEU A 6 -4.197 -7.709 -3.702 1.00 0.00 C ATOM 78 C LEU A 6 -4.253 -8.359 -2.323 1.00 0.00 C ATOM 79 O LEU A 6 -4.222 -7.674 -1.301 1.00 0.00 O ATOM 80 CB LEU A 6 -3.182 -8.439 -4.582 1.00 0.00 C ATOM 81 CG LEU A 6 -3.759 -9.232 -5.756 1.00 0.00 C ATOM 82 CD1 LEU A 6 -3.742 -8.394 -7.025 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.984 -10.526 -5.958 1.00 0.00 C ATOM 0 H LEU A 6 -2.955 -6.113 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.184 -7.784 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.479 -7.705 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.611 -9.122 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.794 -9.485 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.156 -8.974 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.342 -7.496 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.716 -8.110 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.408 -11.077 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.939 -10.296 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.049 -11.133 -5.055 1.00 0.00 H new ATOM 95 N SER A 7 -4.334 -9.686 -2.303 1.00 0.00 N ATOM 96 CA SER A 7 -4.396 -10.429 -1.050 1.00 0.00 C ATOM 97 C SER A 7 -3.010 -10.919 -0.640 1.00 0.00 C ATOM 98 O SER A 7 -2.367 -11.699 -1.343 1.00 0.00 O ATOM 99 CB SER A 7 -5.350 -11.617 -1.184 1.00 0.00 C ATOM 100 OG SER A 7 -5.933 -11.946 0.065 1.00 0.00 O ATOM 0 H SER A 7 -4.358 -10.268 -3.140 1.00 0.00 H new ATOM 0 HA SER A 7 -4.769 -9.758 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.134 -11.379 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.810 -12.479 -1.575 1.00 0.00 H new ATOM 0 HG SER A 7 -6.540 -12.707 -0.048 1.00 0.00 H new ATOM 106 N PRO A 8 -2.539 -10.451 0.525 1.00 0.00 N ATOM 107 CA PRO A 8 -1.225 -10.827 1.056 1.00 0.00 C ATOM 108 C PRO A 8 -1.179 -12.282 1.509 1.00 0.00 C ATOM 109 O PRO A 8 -0.103 -12.849 1.702 1.00 0.00 O ATOM 110 CB PRO A 8 -1.043 -9.889 2.251 1.00 0.00 C ATOM 111 CG PRO A 8 -2.429 -9.539 2.672 1.00 0.00 C ATOM 112 CD PRO A 8 -3.251 -9.518 1.414 1.00 0.00 C ATOM 0 HA PRO A 8 -0.441 -10.738 0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.496 -10.377 3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.477 -9.000 1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.818 -10.271 3.380 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.453 -8.570 3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.276 -9.841 1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.305 -8.517 0.986 1.00 0.00 H new ATOM 120 N SER A 9 -2.353 -12.883 1.677 1.00 0.00 N ATOM 121 CA SER A 9 -2.446 -14.272 2.112 1.00 0.00 C ATOM 122 C SER A 9 -2.555 -15.209 0.913 1.00 0.00 C ATOM 123 O SER A 9 -2.999 -16.351 1.042 1.00 0.00 O ATOM 124 CB SER A 9 -3.653 -14.460 3.033 1.00 0.00 C ATOM 125 OG SER A 9 -4.861 -14.480 2.293 1.00 0.00 O ATOM 0 H SER A 9 -3.253 -12.430 1.518 1.00 0.00 H new ATOM 0 HA SER A 9 -1.537 -14.518 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.548 -15.391 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.685 -13.653 3.765 1.00 0.00 H new ATOM 0 HG SER A 9 -5.617 -14.603 2.904 1.00 0.00 H new ATOM 131 N ASP A 10 -2.148 -14.719 -0.252 1.00 0.00 N ATOM 132 CA ASP A 10 -2.198 -15.512 -1.475 1.00 0.00 C ATOM 133 C ASP A 10 -0.860 -15.469 -2.207 1.00 0.00 C ATOM 134 O ASP A 10 -0.443 -16.454 -2.816 1.00 0.00 O ATOM 135 CB ASP A 10 -3.312 -15.004 -2.392 1.00 0.00 C ATOM 136 CG ASP A 10 -4.674 -15.547 -2.005 1.00 0.00 C ATOM 137 OD1 ASP A 10 -5.313 -14.960 -1.108 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.100 -16.559 -2.601 1.00 0.00 O ATOM 0 H ASP A 10 -1.780 -13.776 -0.376 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.407 -16.546 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.336 -13.915 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.090 -15.288 -3.421 1.00 0.00 H new ATOM 143 N ILE A 11 -0.194 -14.322 -2.142 1.00 0.00 N ATOM 144 CA ILE A 11 1.096 -14.150 -2.799 1.00 0.00 C ATOM 145 C ILE A 11 2.179 -14.970 -2.105 1.00 0.00 C ATOM 146 O ILE A 11 3.183 -15.335 -2.716 1.00 0.00 O ATOM 147 CB ILE A 11 1.524 -12.671 -2.822 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.485 -11.829 -3.565 1.00 0.00 C ATOM 149 CG2 ILE A 11 2.893 -12.526 -3.470 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.334 -10.430 -3.011 1.00 0.00 C ATOM 0 H ILE A 11 -0.526 -13.498 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 11 0.977 -14.501 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 11 1.590 -12.311 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.764 -11.767 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.480 -12.335 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.182 -11.475 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.627 -13.099 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.853 -12.900 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.419 -9.890 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.024 -10.483 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.288 -9.906 -3.080 1.00 0.00 H new ATOM 162 N ALA A 12 1.967 -15.257 -0.825 1.00 0.00 N ATOM 163 CA ALA A 12 2.923 -16.037 -0.048 1.00 0.00 C ATOM 164 C ALA A 12 2.908 -17.502 -0.472 1.00 0.00 C ATOM 165 O ALA A 12 3.939 -18.174 -0.452 1.00 0.00 O ATOM 166 CB ALA A 12 2.622 -15.912 1.438 1.00 0.00 C ATOM 0 H ALA A 12 1.142 -14.961 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 12 3.920 -15.640 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.343 -16.499 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.691 -14.866 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.616 -16.281 1.638 1.00 0.00 H new ATOM 172 N ALA A 13 1.733 -17.991 -0.853 1.00 0.00 N ATOM 173 CA ALA A 13 1.585 -19.376 -1.283 1.00 0.00 C ATOM 174 C ALA A 13 2.238 -19.603 -2.642 1.00 0.00 C ATOM 175 O ALA A 13 2.480 -20.740 -3.043 1.00 0.00 O ATOM 176 CB ALA A 13 0.113 -19.760 -1.331 1.00 0.00 C ATOM 0 H ALA A 13 0.869 -17.449 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 13 2.091 -20.011 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.018 -20.797 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.325 -19.647 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.409 -19.112 -2.034 1.00 0.00 H new ATOM 182 N ALA A 14 2.519 -18.512 -3.347 1.00 0.00 N ATOM 183 CA ALA A 14 3.144 -18.591 -4.661 1.00 0.00 C ATOM 184 C ALA A 14 4.656 -18.421 -4.561 1.00 0.00 C ATOM 185 O ALA A 14 5.418 -19.169 -5.175 1.00 0.00 O ATOM 186 CB ALA A 14 2.554 -17.542 -5.592 1.00 0.00 C ATOM 0 H ALA A 14 2.323 -17.563 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 14 2.942 -19.580 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.031 -17.614 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.482 -17.711 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.725 -16.549 -5.176 1.00 0.00 H new ATOM 192 N LEU A 15 5.085 -17.432 -3.784 1.00 0.00 N ATOM 193 CA LEU A 15 6.507 -17.163 -3.603 1.00 0.00 C ATOM 194 C LEU A 15 7.244 -18.415 -3.138 1.00 0.00 C ATOM 195 O LEU A 15 8.449 -18.553 -3.350 1.00 0.00 O ATOM 196 CB LEU A 15 6.708 -16.034 -2.591 1.00 0.00 C ATOM 197 CG LEU A 15 6.436 -14.619 -3.102 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.664 -13.599 -1.997 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.312 -14.308 -4.306 1.00 0.00 C ATOM 0 H LEU A 15 4.468 -16.803 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 15 6.919 -16.858 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.060 -16.221 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.735 -16.077 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 15 5.393 -14.561 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.466 -12.598 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.993 -13.809 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.697 -13.658 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.104 -13.297 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.362 -14.385 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.099 -15.019 -5.104 1.00 0.00 H new ATOM 211 N ARG A 16 6.511 -19.325 -2.505 1.00 0.00 N ATOM 212 CA ARG A 16 7.095 -20.567 -2.010 1.00 0.00 C ATOM 213 C ARG A 16 6.962 -21.680 -3.045 1.00 0.00 C ATOM 214 O ARG A 16 7.887 -22.466 -3.249 1.00 0.00 O ATOM 215 CB ARG A 16 6.420 -20.987 -0.703 1.00 0.00 C ATOM 216 CG ARG A 16 6.988 -22.265 -0.109 1.00 0.00 C ATOM 217 CD ARG A 16 5.972 -22.968 0.777 1.00 0.00 C ATOM 218 NE ARG A 16 5.635 -22.176 1.958 1.00 0.00 N ATOM 219 CZ ARG A 16 4.575 -21.379 2.030 1.00 0.00 C ATOM 220 NH1 ARG A 16 3.753 -21.268 0.996 1.00 0.00 N ATOM 221 NH2 ARG A 16 4.335 -20.691 3.139 1.00 0.00 N ATOM 0 H ARG A 16 5.512 -19.226 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 16 8.155 -20.393 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.522 -20.181 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.353 -21.122 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.297 -22.934 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.880 -22.032 0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.067 -23.167 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.370 -23.934 1.089 1.00 0.00 H new ATOM 0 HE ARG A 16 6.247 -22.239 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.934 -21.796 0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.940 -20.655 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.965 -20.774 3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.521 -20.079 3.193 1.00 0.00 H new ATOM 235 N ASP A 17 5.805 -21.740 -3.696 1.00 0.00 N ATOM 236 CA ASP A 17 5.551 -22.757 -4.710 1.00 0.00 C ATOM 237 C ASP A 17 6.296 -22.434 -6.002 1.00 0.00 C ATOM 238 O ASP A 17 6.296 -23.226 -6.945 1.00 0.00 O ATOM 239 CB ASP A 17 4.051 -22.868 -4.987 1.00 0.00 C ATOM 240 CG ASP A 17 3.643 -24.264 -5.415 1.00 0.00 C ATOM 241 OD1 ASP A 17 4.174 -25.238 -4.843 1.00 0.00 O ATOM 242 OD2 ASP A 17 2.793 -24.382 -6.322 1.00 0.00 O ATOM 0 H ASP A 17 5.029 -21.097 -3.540 1.00 0.00 H new ATOM 0 HA ASP A 17 5.915 -23.712 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.497 -22.590 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.775 -22.157 -5.766 1.00 0.00 H new ATOM 247 N CYS A 18 6.928 -21.266 -6.038 1.00 0.00 N ATOM 248 CA CYS A 18 7.676 -20.837 -7.215 1.00 0.00 C ATOM 249 C CYS A 18 9.148 -20.626 -6.876 1.00 0.00 C ATOM 250 O CYS A 18 9.895 -20.036 -7.657 1.00 0.00 O ATOM 251 CB CYS A 18 7.080 -19.548 -7.781 1.00 0.00 C ATOM 252 SG CYS A 18 7.652 -18.045 -6.956 1.00 0.00 S ATOM 0 H CYS A 18 6.938 -20.599 -5.266 1.00 0.00 H new ATOM 0 HA CYS A 18 7.604 -21.622 -7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.324 -19.483 -8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.994 -19.599 -7.706 1.00 0.00 H new ATOM 0 HG CYS A 18 7.466 -17.023 -7.738 1.00 0.00 H new ATOM 258 N GLN A 19 9.557 -21.109 -5.708 1.00 0.00 N ATOM 259 CA GLN A 19 10.939 -20.970 -5.266 1.00 0.00 C ATOM 260 C GLN A 19 11.879 -21.779 -6.154 1.00 0.00 C ATOM 261 O GLN A 19 13.096 -21.602 -6.110 1.00 0.00 O ATOM 262 CB GLN A 19 11.079 -21.423 -3.811 1.00 0.00 C ATOM 263 CG GLN A 19 11.068 -20.275 -2.814 1.00 0.00 C ATOM 264 CD GLN A 19 11.774 -20.622 -1.518 1.00 0.00 C ATOM 265 OE1 GLN A 19 12.988 -20.826 -1.494 1.00 0.00 O ATOM 266 NE2 GLN A 19 11.015 -20.690 -0.430 1.00 0.00 N ATOM 0 H GLN A 19 8.951 -21.600 -5.051 1.00 0.00 H new ATOM 0 HA GLN A 19 11.213 -19.918 -5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.266 -22.109 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.009 -21.981 -3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.547 -19.404 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.037 -19.996 -2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.013 -20.513 -0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.435 -20.919 0.471 1.00 0.00 H new ATOM 275 N ALA A 20 11.305 -22.666 -6.961 1.00 0.00 N ATOM 276 CA ALA A 20 12.092 -23.500 -7.862 1.00 0.00 C ATOM 277 C ALA A 20 12.443 -22.747 -9.141 1.00 0.00 C ATOM 278 O ALA A 20 11.801 -21.762 -9.506 1.00 0.00 O ATOM 279 CB ALA A 20 11.337 -24.779 -8.190 1.00 0.00 C ATOM 0 H ALA A 20 10.299 -22.825 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 20 13.023 -23.760 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.936 -25.392 -8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.143 -25.332 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.391 -24.530 -8.671 1.00 0.00 H new ATOM 285 N PRO A 21 13.486 -23.219 -9.838 1.00 0.00 N ATOM 286 CA PRO A 21 13.946 -22.606 -11.087 1.00 0.00 C ATOM 287 C PRO A 21 12.961 -22.813 -12.233 1.00 0.00 C ATOM 288 O PRO A 21 12.272 -23.831 -12.294 1.00 0.00 O ATOM 289 CB PRO A 21 15.263 -23.332 -11.376 1.00 0.00 C ATOM 290 CG PRO A 21 15.128 -24.647 -10.688 1.00 0.00 C ATOM 291 CD PRO A 21 14.297 -24.390 -9.462 1.00 0.00 C ATOM 0 HA PRO A 21 14.051 -21.525 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.418 -23.460 -12.447 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.116 -22.771 -10.995 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.649 -25.380 -11.337 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.105 -25.049 -10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.672 -25.248 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.919 -24.185 -8.591 1.00 0.00 H new ATOM 299 N ASP A 22 12.900 -21.843 -13.138 1.00 0.00 N ATOM 300 CA ASP A 22 12.000 -21.920 -14.282 1.00 0.00 C ATOM 301 C ASP A 22 10.628 -22.435 -13.860 1.00 0.00 C ATOM 302 O ASP A 22 9.962 -23.145 -14.614 1.00 0.00 O ATOM 303 CB ASP A 22 12.590 -22.829 -15.362 1.00 0.00 C ATOM 304 CG ASP A 22 12.615 -24.286 -14.942 1.00 0.00 C ATOM 305 OD1 ASP A 22 13.614 -24.708 -14.322 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.635 -25.003 -15.231 1.00 0.00 O ATOM 0 H ASP A 22 13.464 -20.994 -13.101 1.00 0.00 H new ATOM 0 HA ASP A 22 11.882 -20.916 -14.688 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.006 -22.728 -16.277 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.604 -22.503 -15.593 1.00 0.00 H new ATOM 311 N SER A 23 10.212 -22.073 -12.651 1.00 0.00 N ATOM 312 CA SER A 23 8.920 -22.503 -12.127 1.00 0.00 C ATOM 313 C SER A 23 8.002 -21.306 -11.897 1.00 0.00 C ATOM 314 O SER A 23 6.784 -21.454 -11.798 1.00 0.00 O ATOM 315 CB SER A 23 9.108 -23.274 -10.819 1.00 0.00 C ATOM 316 OG SER A 23 9.381 -24.642 -11.069 1.00 0.00 O ATOM 0 H SER A 23 10.750 -21.483 -12.016 1.00 0.00 H new ATOM 0 HA SER A 23 8.456 -23.159 -12.864 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.926 -22.835 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.210 -23.185 -10.208 1.00 0.00 H new ATOM 0 HG SER A 23 10.274 -24.731 -11.463 1.00 0.00 H new ATOM 322 N PHE A 24 8.596 -20.120 -11.814 1.00 0.00 N ATOM 323 CA PHE A 24 7.832 -18.897 -11.596 1.00 0.00 C ATOM 324 C PHE A 24 7.528 -18.202 -12.920 1.00 0.00 C ATOM 325 O PHE A 24 8.345 -18.211 -13.840 1.00 0.00 O ATOM 326 CB PHE A 24 8.602 -17.949 -10.674 1.00 0.00 C ATOM 327 CG PHE A 24 7.878 -16.661 -10.399 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.596 -16.670 -9.875 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.480 -15.442 -10.667 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.927 -15.487 -9.621 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.817 -14.256 -10.414 1.00 0.00 C ATOM 332 CZ PHE A 24 6.539 -14.279 -9.892 1.00 0.00 C ATOM 0 H PHE A 24 9.603 -19.980 -11.894 1.00 0.00 H new ATOM 0 HA PHE A 24 6.888 -19.167 -11.123 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.799 -18.455 -9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.569 -17.724 -11.123 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.113 -17.612 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.478 -15.418 -11.078 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.928 -15.508 -9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.298 -13.312 -10.624 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.018 -13.353 -9.696 1.00 0.00 H new ATOM 342 N SER A 25 6.346 -17.600 -13.007 1.00 0.00 N ATOM 343 CA SER A 25 5.930 -16.904 -14.219 1.00 0.00 C ATOM 344 C SER A 25 4.771 -15.955 -13.930 1.00 0.00 C ATOM 345 O SER A 25 4.064 -16.084 -12.930 1.00 0.00 O ATOM 346 CB SER A 25 5.523 -17.911 -15.297 1.00 0.00 C ATOM 347 OG SER A 25 5.874 -19.231 -14.920 1.00 0.00 O ATOM 0 H SER A 25 5.660 -17.580 -12.253 1.00 0.00 H new ATOM 0 HA SER A 25 6.775 -16.318 -14.580 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.448 -17.852 -15.467 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.009 -17.657 -16.239 1.00 0.00 H new ATOM 0 HG SER A 25 5.602 -19.856 -15.624 1.00 0.00 H new ATOM 353 N PRO A 26 4.571 -14.976 -14.825 1.00 0.00 N ATOM 354 CA PRO A 26 3.499 -13.986 -14.689 1.00 0.00 C ATOM 355 C PRO A 26 2.117 -14.595 -14.900 1.00 0.00 C ATOM 356 O PRO A 26 1.153 -14.216 -14.235 1.00 0.00 O ATOM 357 CB PRO A 26 3.811 -12.972 -15.793 1.00 0.00 C ATOM 358 CG PRO A 26 4.582 -13.743 -16.809 1.00 0.00 C ATOM 359 CD PRO A 26 5.376 -14.762 -16.040 1.00 0.00 C ATOM 0 HA PRO A 26 3.469 -13.553 -13.689 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.898 -12.558 -16.220 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.392 -12.134 -15.408 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.914 -14.226 -17.522 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.238 -13.087 -17.381 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.501 -15.685 -16.607 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.375 -14.396 -15.801 1.00 0.00 H new ATOM 367 N LYS A 27 2.028 -15.541 -15.828 1.00 0.00 N ATOM 368 CA LYS A 27 0.764 -16.204 -16.126 1.00 0.00 C ATOM 369 C LYS A 27 0.628 -17.498 -15.329 1.00 0.00 C ATOM 370 O LYS A 27 -0.033 -18.441 -15.765 1.00 0.00 O ATOM 371 CB LYS A 27 0.661 -16.503 -17.624 1.00 0.00 C ATOM 372 CG LYS A 27 0.224 -15.308 -18.453 1.00 0.00 C ATOM 373 CD LYS A 27 0.113 -15.662 -19.927 1.00 0.00 C ATOM 374 CE LYS A 27 1.459 -16.078 -20.503 1.00 0.00 C ATOM 375 NZ LYS A 27 1.561 -15.764 -21.955 1.00 0.00 N ATOM 0 H LYS A 27 2.817 -15.866 -16.387 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.046 -15.533 -15.839 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.629 -16.850 -17.984 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.046 -17.318 -17.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.738 -14.946 -18.091 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.939 -14.495 -18.326 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.605 -16.472 -20.055 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.272 -14.805 -20.480 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.258 -15.569 -19.964 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.604 -17.148 -20.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.492 -16.062 -22.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.814 -16.270 -22.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.448 -14.740 -22.098 1.00 0.00 H new ATOM 389 N LYS A 28 1.255 -17.534 -14.158 1.00 0.00 N ATOM 390 CA LYS A 28 1.201 -18.710 -13.298 1.00 0.00 C ATOM 391 C LYS A 28 0.789 -18.329 -11.880 1.00 0.00 C ATOM 392 O LYS A 28 0.014 -19.038 -11.236 1.00 0.00 O ATOM 393 CB LYS A 28 2.562 -19.412 -13.273 1.00 0.00 C ATOM 394 CG LYS A 28 2.498 -20.845 -12.776 1.00 0.00 C ATOM 395 CD LYS A 28 2.655 -20.919 -11.266 1.00 0.00 C ATOM 396 CE LYS A 28 2.758 -22.359 -10.786 1.00 0.00 C ATOM 397 NZ LYS A 28 4.171 -22.825 -10.728 1.00 0.00 N ATOM 0 H LYS A 28 1.806 -16.762 -13.783 1.00 0.00 H new ATOM 0 HA LYS A 28 0.454 -19.392 -13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.984 -19.403 -14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.242 -18.846 -12.637 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.546 -21.289 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.282 -21.432 -13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.547 -20.369 -10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.804 -20.435 -10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.306 -22.445 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.189 -23.006 -11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.259 -23.729 -11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.789 -22.117 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.453 -22.955 -9.736 1.00 0.00 H new ATOM 411 N PHE A 29 1.309 -17.205 -11.399 1.00 0.00 N ATOM 412 CA PHE A 29 0.994 -16.729 -10.057 1.00 0.00 C ATOM 413 C PHE A 29 -0.258 -15.857 -10.069 1.00 0.00 C ATOM 414 O PHE A 29 -0.903 -15.662 -9.039 1.00 0.00 O ATOM 415 CB PHE A 29 2.173 -15.941 -9.482 1.00 0.00 C ATOM 416 CG PHE A 29 2.145 -14.480 -9.832 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.306 -14.065 -11.144 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.957 -13.523 -8.849 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.281 -12.722 -11.468 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.931 -12.178 -9.167 1.00 0.00 C ATOM 421 CZ PHE A 29 2.093 -11.777 -10.478 1.00 0.00 C ATOM 0 H PHE A 29 1.951 -16.606 -11.919 1.00 0.00 H new ATOM 0 HA PHE A 29 0.804 -17.597 -9.426 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.176 -16.047 -8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.103 -16.376 -9.847 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.453 -14.799 -11.922 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.829 -13.831 -7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.408 -12.411 -12.494 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.784 -11.442 -8.391 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.073 -10.727 -10.729 1.00 0.00 H new ATOM 431 N PHE A 30 -0.595 -15.333 -11.243 1.00 0.00 N ATOM 432 CA PHE A 30 -1.768 -14.480 -11.391 1.00 0.00 C ATOM 433 C PHE A 30 -3.006 -15.149 -10.800 1.00 0.00 C ATOM 434 O PHE A 30 -3.917 -14.477 -10.318 1.00 0.00 O ATOM 435 CB PHE A 30 -2.006 -14.154 -12.867 1.00 0.00 C ATOM 436 CG PHE A 30 -2.628 -15.284 -13.637 1.00 0.00 C ATOM 437 CD1 PHE A 30 -1.966 -16.493 -13.775 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.874 -15.136 -14.224 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.535 -17.535 -14.482 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.449 -16.175 -14.932 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.778 -17.375 -15.063 1.00 0.00 C ATOM 0 H PHE A 30 -0.072 -15.484 -12.106 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.583 -13.554 -10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.651 -13.278 -12.938 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.056 -13.889 -13.330 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.993 -16.623 -13.324 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.402 -14.199 -14.128 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.009 -18.473 -14.580 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.422 -16.048 -15.382 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.224 -18.187 -15.619 1.00 0.00 H new ATOM 451 N GLN A 31 -3.030 -16.478 -10.843 1.00 0.00 N ATOM 452 CA GLN A 31 -4.155 -17.238 -10.314 1.00 0.00 C ATOM 453 C GLN A 31 -3.962 -17.535 -8.830 1.00 0.00 C ATOM 454 O GLN A 31 -4.931 -17.657 -8.080 1.00 0.00 O ATOM 455 CB GLN A 31 -4.325 -18.546 -11.090 1.00 0.00 C ATOM 456 CG GLN A 31 -3.354 -19.636 -10.665 1.00 0.00 C ATOM 457 CD GLN A 31 -3.098 -20.649 -11.763 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.033 -21.221 -12.325 1.00 0.00 O ATOM 459 NE2 GLN A 31 -1.828 -20.878 -12.074 1.00 0.00 N ATOM 0 H GLN A 31 -2.283 -17.049 -11.239 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.055 -16.635 -10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.345 -18.907 -10.958 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.193 -18.348 -12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.409 -19.180 -10.369 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.750 -20.148 -9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.085 -20.381 -11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.595 -21.551 -12.805 1.00 0.00 H new ATOM 468 N ILE A 32 -2.705 -17.652 -8.414 1.00 0.00 N ATOM 469 CA ILE A 32 -2.386 -17.934 -7.020 1.00 0.00 C ATOM 470 C ILE A 32 -2.581 -16.697 -6.150 1.00 0.00 C ATOM 471 O ILE A 32 -3.434 -16.678 -5.263 1.00 0.00 O ATOM 472 CB ILE A 32 -0.937 -18.433 -6.865 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.721 -19.703 -7.690 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.619 -18.687 -5.399 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.710 -19.896 -8.139 1.00 0.00 C ATOM 0 H ILE A 32 -1.892 -17.556 -9.022 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.069 -18.717 -6.692 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.261 -17.662 -7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.028 -20.566 -7.100 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.367 -19.671 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.408 -19.039 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.738 -17.762 -4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.299 -19.442 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.789 -20.816 -8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.015 -19.051 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.360 -19.960 -7.266 1.00 0.00 H new ATOM 487 N SER A 33 -1.786 -15.664 -6.412 1.00 0.00 N ATOM 488 CA SER A 33 -1.870 -14.423 -5.652 1.00 0.00 C ATOM 489 C SER A 33 -3.269 -13.822 -5.745 1.00 0.00 C ATOM 490 O SER A 33 -3.834 -13.376 -4.747 1.00 0.00 O ATOM 491 CB SER A 33 -0.836 -13.417 -6.161 1.00 0.00 C ATOM 492 OG SER A 33 0.483 -13.899 -5.967 1.00 0.00 O ATOM 0 H SER A 33 -1.077 -15.662 -7.145 1.00 0.00 H new ATOM 0 HA SER A 33 -1.660 -14.652 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.004 -13.223 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.960 -12.468 -5.640 1.00 0.00 H new ATOM 0 HG SER A 33 0.598 -14.742 -6.453 1.00 0.00 H new ATOM 498 N GLY A 34 -3.824 -13.815 -6.954 1.00 0.00 N ATOM 499 CA GLY A 34 -5.152 -13.266 -7.157 1.00 0.00 C ATOM 500 C GLY A 34 -5.139 -12.019 -8.018 1.00 0.00 C ATOM 501 O GLY A 34 -5.785 -11.024 -7.691 1.00 0.00 O ATOM 0 H GLY A 34 -3.378 -14.180 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.786 -14.020 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.596 -13.031 -6.190 1.00 0.00 H new ATOM 505 N MET A 35 -4.400 -12.072 -9.121 1.00 0.00 N ATOM 506 CA MET A 35 -4.306 -10.937 -10.032 1.00 0.00 C ATOM 507 C MET A 35 -5.311 -11.069 -11.172 1.00 0.00 C ATOM 508 O MET A 35 -5.721 -10.074 -11.769 1.00 0.00 O ATOM 509 CB MET A 35 -2.888 -10.825 -10.597 1.00 0.00 C ATOM 510 CG MET A 35 -1.893 -10.215 -9.623 1.00 0.00 C ATOM 511 SD MET A 35 -0.682 -9.158 -10.440 1.00 0.00 S ATOM 512 CE MET A 35 -0.280 -10.150 -11.876 1.00 0.00 C ATOM 0 H MET A 35 -3.858 -12.888 -9.406 1.00 0.00 H new ATOM 0 HA MET A 35 -4.538 -10.032 -9.470 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.541 -11.817 -10.885 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.914 -10.221 -11.504 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.432 -9.633 -8.875 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.374 -11.013 -9.092 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.778 -10.035 -12.113 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.493 -11.198 -11.665 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.880 -9.821 -12.725 1.00 0.00 H new ATOM 522 N SER A 36 -5.702 -12.304 -11.469 1.00 0.00 N ATOM 523 CA SER A 36 -6.656 -12.566 -12.541 1.00 0.00 C ATOM 524 C SER A 36 -7.924 -11.739 -12.354 1.00 0.00 C ATOM 525 O SER A 36 -8.553 -11.315 -13.325 1.00 0.00 O ATOM 526 CB SER A 36 -7.007 -14.054 -12.587 1.00 0.00 C ATOM 527 OG SER A 36 -7.414 -14.443 -13.888 1.00 0.00 O ATOM 0 H SER A 36 -5.373 -13.138 -10.983 1.00 0.00 H new ATOM 0 HA SER A 36 -6.192 -12.280 -13.485 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.143 -14.644 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.805 -14.265 -11.875 1.00 0.00 H new ATOM 0 HG SER A 36 -6.696 -14.955 -14.316 1.00 0.00 H new ATOM 533 N LYS A 37 -8.295 -11.512 -11.098 1.00 0.00 N ATOM 534 CA LYS A 37 -9.487 -10.734 -10.781 1.00 0.00 C ATOM 535 C LYS A 37 -9.314 -9.278 -11.201 1.00 0.00 C ATOM 536 O LYS A 37 -10.288 -8.589 -11.505 1.00 0.00 O ATOM 537 CB LYS A 37 -9.788 -10.812 -9.283 1.00 0.00 C ATOM 538 CG LYS A 37 -8.567 -10.594 -8.405 1.00 0.00 C ATOM 539 CD LYS A 37 -8.922 -9.848 -7.130 1.00 0.00 C ATOM 540 CE LYS A 37 -9.434 -10.794 -6.055 1.00 0.00 C ATOM 541 NZ LYS A 37 -9.676 -10.089 -4.766 1.00 0.00 N ATOM 0 H LYS A 37 -7.787 -11.856 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.325 -11.156 -11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.543 -10.066 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.218 -11.788 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.123 -11.557 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.815 -10.032 -8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.044 -9.317 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.681 -9.096 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.359 -11.261 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.710 -11.595 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.024 -10.768 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.788 -9.665 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.385 -9.342 -4.907 1.00 0.00 H new ATOM 555 N LYS A 38 -8.069 -8.815 -11.217 1.00 0.00 N ATOM 556 CA LYS A 38 -7.767 -7.442 -11.602 1.00 0.00 C ATOM 557 C LYS A 38 -8.397 -7.104 -12.950 1.00 0.00 C ATOM 558 O LYS A 38 -8.944 -7.975 -13.626 1.00 0.00 O ATOM 559 CB LYS A 38 -6.253 -7.229 -11.667 1.00 0.00 C ATOM 560 CG LYS A 38 -5.546 -7.485 -10.348 1.00 0.00 C ATOM 561 CD LYS A 38 -6.152 -6.664 -9.222 1.00 0.00 C ATOM 562 CE LYS A 38 -6.973 -7.531 -8.280 1.00 0.00 C ATOM 563 NZ LYS A 38 -6.785 -7.136 -6.856 1.00 0.00 N ATOM 0 H LYS A 38 -7.252 -9.372 -10.967 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.188 -6.779 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.834 -7.888 -12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.052 -6.206 -11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.608 -8.545 -10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.488 -7.242 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.358 -6.169 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.784 -5.881 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.028 -7.453 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.689 -8.576 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.324 -7.912 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.189 -6.285 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.711 -6.935 -6.426 1.00 0.00 H new ATOM 577 N SER A 39 -8.315 -5.834 -13.335 1.00 0.00 N ATOM 578 CA SER A 39 -8.879 -5.381 -14.601 1.00 0.00 C ATOM 579 C SER A 39 -8.067 -4.224 -15.174 1.00 0.00 C ATOM 580 O SER A 39 -8.623 -3.214 -15.605 1.00 0.00 O ATOM 581 CB SER A 39 -10.335 -4.952 -14.410 1.00 0.00 C ATOM 582 OG SER A 39 -10.510 -4.272 -13.179 1.00 0.00 O ATOM 0 H SER A 39 -7.863 -5.101 -12.788 1.00 0.00 H new ATOM 0 HA SER A 39 -8.842 -6.212 -15.305 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.637 -4.304 -15.233 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.982 -5.828 -14.440 1.00 0.00 H new ATOM 0 HG SER A 39 -11.449 -4.007 -13.082 1.00 0.00 H new ATOM 588 N SER A 40 -6.747 -4.380 -15.176 1.00 0.00 N ATOM 589 CA SER A 40 -5.856 -3.347 -15.693 1.00 0.00 C ATOM 590 C SER A 40 -6.086 -2.022 -14.974 1.00 0.00 C ATOM 591 O SER A 40 -5.746 -0.956 -15.489 1.00 0.00 O ATOM 592 CB SER A 40 -6.067 -3.168 -17.197 1.00 0.00 C ATOM 593 OG SER A 40 -7.008 -2.142 -17.461 1.00 0.00 O ATOM 0 H SER A 40 -6.271 -5.211 -14.826 1.00 0.00 H new ATOM 0 HA SER A 40 -4.829 -3.664 -15.513 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.117 -2.927 -17.674 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.414 -4.105 -17.633 1.00 0.00 H new ATOM 0 HG SER A 40 -7.819 -2.298 -16.934 1.00 0.00 H new ATOM 599 N SER A 41 -6.666 -2.096 -13.780 1.00 0.00 N ATOM 600 CA SER A 41 -6.945 -0.903 -12.990 1.00 0.00 C ATOM 601 C SER A 41 -6.244 -0.970 -11.637 1.00 0.00 C ATOM 602 O SER A 41 -6.252 -0.004 -10.874 1.00 0.00 O ATOM 603 CB SER A 41 -8.453 -0.741 -12.788 1.00 0.00 C ATOM 604 OG SER A 41 -8.742 0.391 -11.987 1.00 0.00 O ATOM 0 H SER A 41 -6.952 -2.970 -13.339 1.00 0.00 H new ATOM 0 HA SER A 41 -6.563 -0.040 -13.535 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.944 -0.640 -13.756 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.858 -1.637 -12.317 1.00 0.00 H new ATOM 0 HG SER A 41 -7.942 0.648 -11.483 1.00 0.00 H new ATOM 610 N GLN A 42 -5.638 -2.117 -11.348 1.00 0.00 N ATOM 611 CA GLN A 42 -4.932 -2.310 -10.087 1.00 0.00 C ATOM 612 C GLN A 42 -3.547 -2.903 -10.324 1.00 0.00 C ATOM 613 O GLN A 42 -2.777 -3.104 -9.384 1.00 0.00 O ATOM 614 CB GLN A 42 -5.738 -3.223 -9.162 1.00 0.00 C ATOM 615 CG GLN A 42 -7.135 -2.705 -8.862 1.00 0.00 C ATOM 616 CD GLN A 42 -8.218 -3.517 -9.544 1.00 0.00 C ATOM 617 OE1 GLN A 42 -7.972 -3.904 -10.790 1.00 0.00 O flip ATOM 618 NE2 GLN A 42 -9.265 -3.794 -8.957 1.00 0.00 N flip ATOM 0 H GLN A 42 -5.622 -2.926 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.814 -1.336 -9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.816 -4.210 -9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.196 -3.346 -8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.300 -2.719 -7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.209 -1.666 -9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.412 -3.476 -7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.985 -4.342 -9.429 1.00 0.00 H new ATOM 627 N LEU A 43 -3.235 -3.180 -11.586 1.00 0.00 N ATOM 628 CA LEU A 43 -1.942 -3.750 -11.947 1.00 0.00 C ATOM 629 C LEU A 43 -0.828 -2.721 -11.782 1.00 0.00 C ATOM 630 O LEU A 43 0.102 -2.917 -11.000 1.00 0.00 O ATOM 631 CB LEU A 43 -1.972 -4.260 -13.389 1.00 0.00 C ATOM 632 CG LEU A 43 -3.084 -5.254 -13.727 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.644 -6.188 -14.843 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.483 -6.047 -12.491 1.00 0.00 C ATOM 0 H LEU A 43 -3.860 -3.019 -12.376 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.741 -4.586 -11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.065 -3.402 -14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.013 -4.730 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.953 -4.694 -14.072 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.448 -6.888 -15.070 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.408 -5.605 -15.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.760 -6.741 -14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.275 -6.750 -12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.619 -6.596 -12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.841 -5.364 -11.720 1.00 0.00 H new ATOM 646 N LYS A 44 -0.930 -1.623 -12.523 1.00 0.00 N ATOM 647 CA LYS A 44 0.066 -0.560 -12.457 1.00 0.00 C ATOM 648 C LYS A 44 -0.046 0.211 -11.146 1.00 0.00 C ATOM 649 O LYS A 44 0.816 1.025 -10.819 1.00 0.00 O ATOM 650 CB LYS A 44 -0.101 0.397 -13.639 1.00 0.00 C ATOM 651 CG LYS A 44 -0.929 1.628 -13.313 1.00 0.00 C ATOM 652 CD LYS A 44 -2.358 1.259 -12.950 1.00 0.00 C ATOM 653 CE LYS A 44 -3.248 1.196 -14.182 1.00 0.00 C ATOM 654 NZ LYS A 44 -3.161 -0.126 -14.862 1.00 0.00 N ATOM 0 H LYS A 44 -1.693 -1.446 -13.177 1.00 0.00 H new ATOM 0 HA LYS A 44 1.054 -1.019 -12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.884 0.713 -13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.570 -0.138 -14.465 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.470 2.167 -12.485 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.933 2.302 -14.169 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.368 0.294 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.757 1.992 -12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.281 1.389 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.959 1.983 -14.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.054 -0.320 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.379 -0.113 -15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.989 -0.869 -14.155 1.00 0.00 H new ATOM 668 N GLU A 45 -1.113 -0.054 -10.398 1.00 0.00 N ATOM 669 CA GLU A 45 -1.336 0.615 -9.122 1.00 0.00 C ATOM 670 C GLU A 45 -0.100 0.517 -8.233 1.00 0.00 C ATOM 671 O GLU A 45 0.307 1.497 -7.608 1.00 0.00 O ATOM 672 CB GLU A 45 -2.543 0.005 -8.405 1.00 0.00 C ATOM 673 CG GLU A 45 -3.721 0.956 -8.281 1.00 0.00 C ATOM 674 CD GLU A 45 -3.340 2.279 -7.646 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.959 3.207 -8.390 1.00 0.00 O ATOM 676 OE2 GLU A 45 -3.423 2.387 -6.405 1.00 0.00 O ATOM 0 H GLU A 45 -1.836 -0.727 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.535 1.668 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.862 -0.887 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.239 -0.316 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.140 1.140 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.503 0.484 -7.686 1.00 0.00 H new ATOM 683 N ILE A 46 0.493 -0.671 -8.182 1.00 0.00 N ATOM 684 CA ILE A 46 1.682 -0.897 -7.371 1.00 0.00 C ATOM 685 C ILE A 46 2.944 -0.470 -8.114 1.00 0.00 C ATOM 686 O ILE A 46 3.979 -0.208 -7.502 1.00 0.00 O ATOM 687 CB ILE A 46 1.815 -2.377 -6.966 1.00 0.00 C ATOM 688 CG1 ILE A 46 0.476 -2.909 -6.452 1.00 0.00 C ATOM 689 CG2 ILE A 46 2.897 -2.542 -5.909 1.00 0.00 C ATOM 690 CD1 ILE A 46 -0.343 -3.610 -7.513 1.00 0.00 C ATOM 0 H ILE A 46 0.169 -1.492 -8.693 1.00 0.00 H new ATOM 0 HA ILE A 46 1.570 -0.291 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 46 2.102 -2.955 -7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.661 -3.601 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.103 -2.080 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.979 -3.593 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.851 -2.196 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.638 -1.955 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.279 -3.961 -7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.559 -2.915 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.217 -4.460 -7.903 1.00 0.00 H new ATOM 702 N PHE A 47 2.849 -0.401 -9.438 1.00 0.00 N ATOM 703 CA PHE A 47 3.982 -0.005 -10.266 1.00 0.00 C ATOM 704 C PHE A 47 5.284 -0.581 -9.717 1.00 0.00 C ATOM 705 O PHE A 47 6.316 0.090 -9.707 1.00 0.00 O ATOM 706 CB PHE A 47 4.077 1.521 -10.341 1.00 0.00 C ATOM 707 CG PHE A 47 4.072 2.189 -8.996 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.879 2.561 -8.398 1.00 0.00 C ATOM 709 CD2 PHE A 47 5.260 2.443 -8.330 1.00 0.00 C ATOM 710 CE1 PHE A 47 2.872 3.177 -7.160 1.00 0.00 C ATOM 711 CE2 PHE A 47 5.259 3.058 -7.092 1.00 0.00 C ATOM 712 CZ PHE A 47 4.063 3.424 -6.506 1.00 0.00 C ATOM 0 H PHE A 47 1.999 -0.614 -9.960 1.00 0.00 H new ATOM 0 HA PHE A 47 3.824 -0.402 -11.269 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.990 1.795 -10.870 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.242 1.901 -10.929 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.945 2.368 -8.904 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.198 2.157 -8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.936 3.465 -6.705 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.192 3.252 -6.584 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.059 3.903 -5.538 1.00 0.00 H new ATOM 722 N ARG A 48 5.227 -1.828 -9.262 1.00 0.00 N ATOM 723 CA ARG A 48 6.400 -2.494 -8.710 1.00 0.00 C ATOM 724 C ARG A 48 6.452 -3.955 -9.148 1.00 0.00 C ATOM 725 O ARG A 48 7.248 -4.740 -8.631 1.00 0.00 O ATOM 726 CB ARG A 48 6.390 -2.408 -7.182 1.00 0.00 C ATOM 727 CG ARG A 48 7.110 -1.186 -6.636 1.00 0.00 C ATOM 728 CD ARG A 48 7.503 -1.376 -5.179 1.00 0.00 C ATOM 729 NE ARG A 48 6.375 -1.167 -4.276 1.00 0.00 N ATOM 730 CZ ARG A 48 6.499 -1.054 -2.959 1.00 0.00 C ATOM 731 NH1 ARG A 48 7.696 -1.130 -2.393 1.00 0.00 N ATOM 732 NH2 ARG A 48 5.425 -0.865 -2.203 1.00 0.00 N ATOM 0 H ARG A 48 4.381 -2.398 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 48 7.287 -1.987 -9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.357 -2.396 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.854 -3.306 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.002 -0.991 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.467 -0.311 -6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.898 -2.382 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.304 -0.681 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 48 5.440 -1.104 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.525 -1.276 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.788 -1.043 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.502 -0.806 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.522 -0.778 -1.191 1.00 0.00 H new ATOM 746 N ILE A 49 5.599 -4.312 -10.101 1.00 0.00 N ATOM 747 CA ILE A 49 5.549 -5.677 -10.609 1.00 0.00 C ATOM 748 C ILE A 49 5.705 -5.707 -12.125 1.00 0.00 C ATOM 749 O ILE A 49 5.748 -6.776 -12.736 1.00 0.00 O ATOM 750 CB ILE A 49 4.228 -6.372 -10.226 1.00 0.00 C ATOM 751 CG1 ILE A 49 3.040 -5.633 -10.846 1.00 0.00 C ATOM 752 CG2 ILE A 49 4.085 -6.440 -8.713 1.00 0.00 C ATOM 753 CD1 ILE A 49 2.565 -4.455 -10.025 1.00 0.00 C ATOM 0 H ILE A 49 4.933 -3.675 -10.537 1.00 0.00 H new ATOM 0 HA ILE A 49 6.380 -6.214 -10.151 1.00 0.00 H new ATOM 0 HB ILE A 49 4.243 -7.390 -10.616 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.319 -5.284 -11.840 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.214 -6.333 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.147 -6.933 -8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.918 -7.005 -8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.087 -5.431 -8.302 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.721 -3.980 -10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.255 -4.800 -9.039 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.376 -3.735 -9.918 1.00 0.00 H new ATOM 765 N LEU A 50 5.791 -4.526 -12.728 1.00 0.00 N ATOM 766 CA LEU A 50 5.945 -4.416 -14.175 1.00 0.00 C ATOM 767 C LEU A 50 7.282 -3.775 -14.533 1.00 0.00 C ATOM 768 O LEU A 50 8.158 -4.422 -15.108 1.00 0.00 O ATOM 769 CB LEU A 50 4.799 -3.595 -14.768 1.00 0.00 C ATOM 770 CG LEU A 50 3.441 -3.745 -14.081 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.511 -2.611 -14.485 1.00 0.00 C ATOM 772 CD2 LEU A 50 2.819 -5.092 -14.417 1.00 0.00 C ATOM 0 H LEU A 50 5.757 -3.632 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 50 5.920 -5.421 -14.596 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.082 -2.543 -14.744 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.686 -3.870 -15.817 1.00 0.00 H new ATOM 0 HG LEU A 50 3.593 -3.697 -13.003 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.549 -2.734 -13.987 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.952 -1.658 -14.193 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.365 -2.628 -15.565 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.853 -5.181 -13.919 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.680 -5.170 -15.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.477 -5.892 -14.077 1.00 0.00 H new ATOM 784 N ASP A 51 7.433 -2.501 -14.187 1.00 0.00 N ATOM 785 CA ASP A 51 8.665 -1.774 -14.469 1.00 0.00 C ATOM 786 C ASP A 51 9.008 -0.822 -13.327 1.00 0.00 C ATOM 787 O ASP A 51 8.223 0.062 -12.987 1.00 0.00 O ATOM 788 CB ASP A 51 8.534 -0.993 -15.778 1.00 0.00 C ATOM 789 CG ASP A 51 7.126 -0.478 -16.006 1.00 0.00 C ATOM 790 OD1 ASP A 51 6.243 -1.293 -16.345 1.00 0.00 O ATOM 791 OD2 ASP A 51 6.908 0.741 -15.844 1.00 0.00 O ATOM 0 H ASP A 51 6.718 -1.951 -13.711 1.00 0.00 H new ATOM 0 HA ASP A 51 9.472 -2.501 -14.568 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.228 -0.153 -15.767 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.823 -1.634 -16.611 1.00 0.00 H new ATOM 796 N ASN A 52 10.185 -1.010 -12.739 1.00 0.00 N ATOM 797 CA ASN A 52 10.630 -0.170 -11.634 1.00 0.00 C ATOM 798 C ASN A 52 11.267 1.117 -12.151 1.00 0.00 C ATOM 799 O ASN A 52 11.742 1.943 -11.372 1.00 0.00 O ATOM 800 CB ASN A 52 11.628 -0.930 -10.758 1.00 0.00 C ATOM 801 CG ASN A 52 13.044 -0.856 -11.297 1.00 0.00 C ATOM 802 OD1 ASN A 52 13.330 -1.348 -12.389 1.00 0.00 O ATOM 803 ND2 ASN A 52 13.937 -0.240 -10.532 1.00 0.00 N ATOM 0 H ASN A 52 10.848 -1.737 -13.010 1.00 0.00 H new ATOM 0 HA ASN A 52 9.758 0.092 -11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.605 -0.522 -9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.323 -1.974 -10.687 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.905 -0.160 -10.842 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.655 0.153 -9.634 1.00 0.00 H new ATOM 810 N ASP A 53 11.273 1.278 -13.470 1.00 0.00 N ATOM 811 CA ASP A 53 11.850 2.464 -14.092 1.00 0.00 C ATOM 812 C ASP A 53 10.756 3.388 -14.618 1.00 0.00 C ATOM 813 O ASP A 53 10.937 4.604 -14.688 1.00 0.00 O ATOM 814 CB ASP A 53 12.788 2.064 -15.231 1.00 0.00 C ATOM 815 CG ASP A 53 12.141 1.092 -16.199 1.00 0.00 C ATOM 816 OD1 ASP A 53 11.902 -0.068 -15.804 1.00 0.00 O ATOM 817 OD2 ASP A 53 11.874 1.492 -17.351 1.00 0.00 O ATOM 0 H ASP A 53 10.885 0.603 -14.129 1.00 0.00 H new ATOM 0 HA ASP A 53 12.421 3.000 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.100 2.957 -15.772 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.689 1.613 -14.815 1.00 0.00 H new ATOM 822 N GLN A 54 9.621 2.803 -14.988 1.00 0.00 N ATOM 823 CA GLN A 54 8.499 3.574 -15.510 1.00 0.00 C ATOM 824 C GLN A 54 8.947 4.485 -16.649 1.00 0.00 C ATOM 825 O GLN A 54 8.539 5.643 -16.727 1.00 0.00 O ATOM 826 CB GLN A 54 7.863 4.407 -14.396 1.00 0.00 C ATOM 827 CG GLN A 54 7.110 3.575 -13.369 1.00 0.00 C ATOM 828 CD GLN A 54 6.069 2.673 -14.000 1.00 0.00 C ATOM 829 OE1 GLN A 54 5.601 2.926 -15.111 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.699 1.611 -13.294 1.00 0.00 N ATOM 0 H GLN A 54 9.454 1.798 -14.936 1.00 0.00 H new ATOM 0 HA GLN A 54 7.759 2.874 -15.898 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.642 4.977 -13.889 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.178 5.129 -14.840 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.820 2.967 -12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.624 4.239 -12.654 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.112 1.439 -12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.002 0.967 -13.668 1.00 0.00 H new ATOM 839 N SER A 55 9.789 3.953 -17.529 1.00 0.00 N ATOM 840 CA SER A 55 10.296 4.720 -18.661 1.00 0.00 C ATOM 841 C SER A 55 9.424 4.507 -19.895 1.00 0.00 C ATOM 842 O SER A 55 8.838 5.450 -20.425 1.00 0.00 O ATOM 843 CB SER A 55 11.741 4.320 -18.968 1.00 0.00 C ATOM 844 OG SER A 55 12.367 5.277 -19.805 1.00 0.00 O ATOM 0 H SER A 55 10.134 2.995 -17.480 1.00 0.00 H new ATOM 0 HA SER A 55 10.267 5.777 -18.395 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.301 4.224 -18.038 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.757 3.343 -19.452 1.00 0.00 H new ATOM 0 HG SER A 55 13.290 5.000 -19.985 1.00 0.00 H new ATOM 850 N GLY A 56 9.344 3.259 -20.348 1.00 0.00 N ATOM 851 CA GLY A 56 8.543 2.944 -21.516 1.00 0.00 C ATOM 852 C GLY A 56 8.567 1.466 -21.853 1.00 0.00 C ATOM 853 O GLY A 56 7.529 0.872 -22.147 1.00 0.00 O ATOM 0 H GLY A 56 9.820 2.461 -19.927 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.514 3.257 -21.342 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.910 3.514 -22.369 1.00 0.00 H new ATOM 857 N PHE A 57 9.754 0.871 -21.815 1.00 0.00 N ATOM 858 CA PHE A 57 9.910 -0.546 -22.122 1.00 0.00 C ATOM 859 C PHE A 57 10.509 -1.297 -20.936 1.00 0.00 C ATOM 860 O PHE A 57 10.731 -0.720 -19.871 1.00 0.00 O ATOM 861 CB PHE A 57 10.796 -0.727 -23.356 1.00 0.00 C ATOM 862 CG PHE A 57 12.247 -0.432 -23.101 1.00 0.00 C ATOM 863 CD1 PHE A 57 12.678 0.869 -22.902 1.00 0.00 C ATOM 864 CD2 PHE A 57 13.179 -1.456 -23.061 1.00 0.00 C ATOM 865 CE1 PHE A 57 14.012 1.145 -22.667 1.00 0.00 C ATOM 866 CE2 PHE A 57 14.514 -1.187 -22.826 1.00 0.00 C ATOM 867 CZ PHE A 57 14.931 0.115 -22.630 1.00 0.00 C ATOM 0 H PHE A 57 10.623 1.348 -21.574 1.00 0.00 H new ATOM 0 HA PHE A 57 8.923 -0.959 -22.329 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.700 -1.751 -23.716 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.435 -0.075 -24.151 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.963 1.678 -22.931 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.859 -2.476 -23.215 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.335 2.164 -22.513 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.231 -1.994 -22.796 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.974 0.327 -22.448 1.00 0.00 H new ATOM 877 N ILE A 58 10.769 -2.585 -21.130 1.00 0.00 N ATOM 878 CA ILE A 58 11.342 -3.415 -20.078 1.00 0.00 C ATOM 879 C ILE A 58 12.360 -4.398 -20.647 1.00 0.00 C ATOM 880 O ILE A 58 12.288 -4.774 -21.816 1.00 0.00 O ATOM 881 CB ILE A 58 10.253 -4.200 -19.323 1.00 0.00 C ATOM 882 CG1 ILE A 58 9.094 -3.274 -18.949 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.838 -4.855 -18.080 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.922 -3.997 -18.322 1.00 0.00 C ATOM 0 H ILE A 58 10.592 -3.077 -22.006 1.00 0.00 H new ATOM 0 HA ILE A 58 11.841 -2.741 -19.381 1.00 0.00 H new ATOM 0 HB ILE A 58 9.871 -4.984 -19.977 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.455 -2.515 -18.256 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.753 -2.753 -19.843 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.056 -5.406 -17.557 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.633 -5.541 -18.371 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.244 -4.087 -17.421 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.138 -3.279 -18.082 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.535 -4.738 -19.022 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.248 -4.496 -17.409 1.00 0.00 H new ATOM 896 N GLU A 59 13.306 -4.813 -19.810 1.00 0.00 N ATOM 897 CA GLU A 59 14.338 -5.754 -20.230 1.00 0.00 C ATOM 898 C GLU A 59 14.608 -6.787 -19.141 1.00 0.00 C ATOM 899 O GLU A 59 14.199 -6.615 -17.993 1.00 0.00 O ATOM 900 CB GLU A 59 15.630 -5.009 -20.573 1.00 0.00 C ATOM 901 CG GLU A 59 16.559 -5.791 -21.485 1.00 0.00 C ATOM 902 CD GLU A 59 17.554 -4.901 -22.206 1.00 0.00 C ATOM 903 OE1 GLU A 59 18.334 -4.208 -21.520 1.00 0.00 O ATOM 904 OE2 GLU A 59 17.552 -4.898 -23.455 1.00 0.00 O ATOM 0 H GLU A 59 13.379 -4.513 -18.838 1.00 0.00 H new ATOM 0 HA GLU A 59 13.980 -6.273 -21.119 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.378 -4.062 -21.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.158 -4.770 -19.650 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.100 -6.533 -20.897 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.967 -6.337 -22.219 1.00 0.00 H new ATOM 911 N GLU A 60 15.298 -7.862 -19.510 1.00 0.00 N ATOM 912 CA GLU A 60 15.620 -8.924 -18.565 1.00 0.00 C ATOM 913 C GLU A 60 16.430 -8.380 -17.391 1.00 0.00 C ATOM 914 O GLU A 60 16.474 -8.986 -16.320 1.00 0.00 O ATOM 915 CB GLU A 60 16.401 -10.039 -19.263 1.00 0.00 C ATOM 916 CG GLU A 60 17.563 -9.535 -20.103 1.00 0.00 C ATOM 917 CD GLU A 60 18.634 -10.588 -20.308 1.00 0.00 C ATOM 918 OE1 GLU A 60 19.071 -11.195 -19.307 1.00 0.00 O ATOM 919 OE2 GLU A 60 19.036 -10.806 -21.470 1.00 0.00 O ATOM 0 H GLU A 60 15.644 -8.020 -20.456 1.00 0.00 H new ATOM 0 HA GLU A 60 14.684 -9.330 -18.182 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.781 -10.731 -18.511 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.721 -10.603 -19.901 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.190 -9.208 -21.073 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.004 -8.663 -19.620 1.00 0.00 H new ATOM 926 N ASP A 61 17.068 -7.234 -17.601 1.00 0.00 N ATOM 927 CA ASP A 61 17.876 -6.608 -16.561 1.00 0.00 C ATOM 928 C ASP A 61 16.992 -5.889 -15.546 1.00 0.00 C ATOM 929 O ASP A 61 17.482 -5.356 -14.551 1.00 0.00 O ATOM 930 CB ASP A 61 18.867 -5.622 -17.181 1.00 0.00 C ATOM 931 CG ASP A 61 19.841 -5.063 -16.162 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.438 -5.862 -15.410 1.00 0.00 O ATOM 933 OD2 ASP A 61 20.007 -3.826 -16.117 1.00 0.00 O ATOM 0 H ASP A 61 17.041 -6.720 -18.481 1.00 0.00 H new ATOM 0 HA ASP A 61 18.430 -7.391 -16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.423 -6.121 -17.975 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.318 -4.801 -17.643 1.00 0.00 H new ATOM 938 N GLU A 62 15.689 -5.879 -15.806 1.00 0.00 N ATOM 939 CA GLU A 62 14.738 -5.224 -14.915 1.00 0.00 C ATOM 940 C GLU A 62 13.660 -6.202 -14.456 1.00 0.00 C ATOM 941 O GLU A 62 12.571 -5.796 -14.047 1.00 0.00 O ATOM 942 CB GLU A 62 14.092 -4.026 -15.614 1.00 0.00 C ATOM 943 CG GLU A 62 14.835 -2.719 -15.393 1.00 0.00 C ATOM 944 CD GLU A 62 14.743 -1.788 -16.586 1.00 0.00 C ATOM 945 OE1 GLU A 62 13.644 -1.673 -17.167 1.00 0.00 O ATOM 946 OE2 GLU A 62 15.772 -1.172 -16.937 1.00 0.00 O ATOM 0 H GLU A 62 15.268 -6.316 -16.625 1.00 0.00 H new ATOM 0 HA GLU A 62 15.283 -4.873 -14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.037 -4.227 -16.684 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.068 -3.917 -15.257 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.429 -2.219 -14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.883 -2.932 -15.183 1.00 0.00 H new ATOM 953 N LEU A 63 13.970 -7.492 -14.528 1.00 0.00 N ATOM 954 CA LEU A 63 13.028 -8.529 -14.120 1.00 0.00 C ATOM 955 C LEU A 63 13.479 -9.195 -12.825 1.00 0.00 C ATOM 956 O LEU A 63 12.657 -9.569 -11.987 1.00 0.00 O ATOM 957 CB LEU A 63 12.886 -9.578 -15.225 1.00 0.00 C ATOM 958 CG LEU A 63 12.529 -9.047 -16.613 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.352 -10.195 -17.595 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.268 -8.198 -16.551 1.00 0.00 C ATOM 0 H LEU A 63 14.866 -7.845 -14.865 1.00 0.00 H new ATOM 0 HA LEU A 63 12.060 -8.059 -13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.824 -10.128 -15.299 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.120 -10.293 -14.923 1.00 0.00 H new ATOM 0 HG LEU A 63 13.349 -8.420 -16.963 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.098 -9.797 -18.578 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.280 -10.763 -17.662 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.551 -10.849 -17.250 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.029 -7.828 -17.548 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.440 -8.802 -16.180 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.430 -7.354 -15.880 1.00 0.00 H new ATOM 972 N LYS A 64 14.790 -9.340 -12.665 1.00 0.00 N ATOM 973 CA LYS A 64 15.352 -9.958 -11.469 1.00 0.00 C ATOM 974 C LYS A 64 14.973 -9.169 -10.220 1.00 0.00 C ATOM 975 O LYS A 64 14.497 -8.037 -10.309 1.00 0.00 O ATOM 976 CB LYS A 64 16.875 -10.049 -11.585 1.00 0.00 C ATOM 977 CG LYS A 64 17.348 -10.787 -12.826 1.00 0.00 C ATOM 978 CD LYS A 64 18.840 -10.604 -13.049 1.00 0.00 C ATOM 979 CE LYS A 64 19.288 -11.229 -14.362 1.00 0.00 C ATOM 980 NZ LYS A 64 20.703 -10.895 -14.680 1.00 0.00 N ATOM 0 H LYS A 64 15.484 -9.038 -13.349 1.00 0.00 H new ATOM 0 HA LYS A 64 14.940 -10.963 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.291 -9.042 -11.591 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.269 -10.551 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.121 -11.849 -12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.802 -10.424 -13.697 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.081 -9.541 -13.050 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.390 -11.055 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.174 -12.312 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.643 -10.881 -15.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.970 -11.339 -15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.807 -9.863 -14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.322 -11.249 -13.923 1.00 0.00 H new ATOM 994 N TYR A 65 15.188 -9.774 -9.057 1.00 0.00 N ATOM 995 CA TYR A 65 14.868 -9.129 -7.789 1.00 0.00 C ATOM 996 C TYR A 65 13.364 -8.911 -7.653 1.00 0.00 C ATOM 997 O TYR A 65 12.910 -8.151 -6.798 1.00 0.00 O ATOM 998 CB TYR A 65 15.600 -7.791 -7.675 1.00 0.00 C ATOM 999 CG TYR A 65 17.062 -7.866 -8.056 1.00 0.00 C ATOM 1000 CD1 TYR A 65 18.027 -8.219 -7.121 1.00 0.00 C ATOM 1001 CD2 TYR A 65 17.477 -7.583 -9.351 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.363 -8.289 -7.464 1.00 0.00 C ATOM 1003 CE2 TYR A 65 18.811 -7.652 -9.704 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.750 -8.005 -8.757 1.00 0.00 C ATOM 1005 OH TYR A 65 21.080 -8.072 -9.105 1.00 0.00 O ATOM 0 H TYR A 65 15.583 -10.710 -8.966 1.00 0.00 H new ATOM 0 HA TYR A 65 15.196 -9.786 -6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.104 -7.060 -8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.518 -7.428 -6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.727 -8.443 -6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 65 16.745 -7.304 -10.094 1.00 0.00 H new ATOM 0 HE1 TYR A 65 20.100 -8.564 -6.724 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.117 -7.431 -10.716 1.00 0.00 H new ATOM 0 HH TYR A 65 21.182 -7.844 -10.053 1.00 0.00 H new ATOM 1015 N PHE A 66 12.596 -9.584 -8.503 1.00 0.00 N ATOM 1016 CA PHE A 66 11.143 -9.466 -8.480 1.00 0.00 C ATOM 1017 C PHE A 66 10.560 -10.157 -7.250 1.00 0.00 C ATOM 1018 O PHE A 66 9.798 -9.558 -6.490 1.00 0.00 O ATOM 1019 CB PHE A 66 10.540 -10.068 -9.751 1.00 0.00 C ATOM 1020 CG PHE A 66 9.039 -10.011 -9.787 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.281 -10.974 -9.140 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.387 -8.996 -10.468 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.900 -10.925 -9.173 1.00 0.00 C ATOM 1024 CE2 PHE A 66 7.006 -8.942 -10.504 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.262 -9.907 -9.855 1.00 0.00 C ATOM 0 H PHE A 66 12.956 -10.217 -9.217 1.00 0.00 H new ATOM 0 HA PHE A 66 10.891 -8.407 -8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.937 -9.539 -10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.859 -11.107 -9.838 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.775 -11.771 -8.604 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.964 -8.238 -10.977 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.320 -11.682 -8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.510 -8.146 -11.039 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.183 -9.866 -9.880 1.00 0.00 H new ATOM 1035 N LEU A 67 10.923 -11.421 -7.062 1.00 0.00 N ATOM 1036 CA LEU A 67 10.437 -12.195 -5.926 1.00 0.00 C ATOM 1037 C LEU A 67 10.748 -11.487 -4.611 1.00 0.00 C ATOM 1038 O LEU A 67 10.069 -11.698 -3.607 1.00 0.00 O ATOM 1039 CB LEU A 67 11.066 -13.590 -5.928 1.00 0.00 C ATOM 1040 CG LEU A 67 10.994 -14.357 -7.249 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.653 -15.720 -7.111 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.549 -14.504 -7.702 1.00 0.00 C ATOM 0 H LEU A 67 11.552 -11.931 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 67 9.355 -12.290 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.114 -13.495 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.579 -14.187 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 67 11.535 -13.790 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.592 -16.251 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.699 -15.592 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.141 -16.295 -6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.517 -15.052 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.984 -15.049 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.109 -13.516 -7.842 1.00 0.00 H new ATOM 1054 N GLN A 68 11.777 -10.646 -4.627 1.00 0.00 N ATOM 1055 CA GLN A 68 12.176 -9.905 -3.436 1.00 0.00 C ATOM 1056 C GLN A 68 11.170 -8.803 -3.118 1.00 0.00 C ATOM 1057 O GLN A 68 11.062 -8.360 -1.975 1.00 0.00 O ATOM 1058 CB GLN A 68 13.568 -9.302 -3.628 1.00 0.00 C ATOM 1059 CG GLN A 68 14.402 -9.279 -2.356 1.00 0.00 C ATOM 1060 CD GLN A 68 15.760 -8.638 -2.561 1.00 0.00 C ATOM 1061 OE1 GLN A 68 16.422 -8.989 -3.657 1.00 0.00 O flip ATOM 1062 NE2 GLN A 68 16.210 -7.836 -1.742 1.00 0.00 N flip ATOM 0 H GLN A 68 12.349 -10.461 -5.451 1.00 0.00 H new ATOM 0 HA GLN A 68 12.202 -10.601 -2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.099 -9.871 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.465 -8.284 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.861 -8.736 -1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.536 -10.299 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.667 -7.595 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.126 -7.413 -1.893 1.00 0.00 H new ATOM 1071 N ARG A 69 10.438 -8.366 -4.136 1.00 0.00 N ATOM 1072 CA ARG A 69 9.442 -7.314 -3.965 1.00 0.00 C ATOM 1073 C ARG A 69 8.379 -7.732 -2.954 1.00 0.00 C ATOM 1074 O ARG A 69 8.016 -6.961 -2.065 1.00 0.00 O ATOM 1075 CB ARG A 69 8.784 -6.982 -5.306 1.00 0.00 C ATOM 1076 CG ARG A 69 9.726 -6.323 -6.300 1.00 0.00 C ATOM 1077 CD ARG A 69 9.703 -4.808 -6.168 1.00 0.00 C ATOM 1078 NE ARG A 69 10.462 -4.348 -5.009 1.00 0.00 N ATOM 1079 CZ ARG A 69 11.788 -4.275 -4.980 1.00 0.00 C ATOM 1080 NH1 ARG A 69 12.498 -4.630 -6.042 1.00 0.00 N ATOM 1081 NH2 ARG A 69 12.406 -3.846 -3.887 1.00 0.00 N ATOM 0 H ARG A 69 10.515 -8.723 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 69 9.949 -6.426 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.390 -7.899 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.935 -6.322 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.740 -6.688 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.443 -6.605 -7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.114 -4.359 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.671 -4.467 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 69 9.946 -4.067 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.026 -4.960 -6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.516 -4.573 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.863 -3.572 -3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.424 -3.790 -3.865 1.00 0.00 H new ATOM 1095 N PHE A 70 7.882 -8.956 -3.096 1.00 0.00 N ATOM 1096 CA PHE A 70 6.859 -9.476 -2.196 1.00 0.00 C ATOM 1097 C PHE A 70 7.488 -10.304 -1.079 1.00 0.00 C ATOM 1098 O PHE A 70 7.031 -10.271 0.063 1.00 0.00 O ATOM 1099 CB PHE A 70 5.852 -10.327 -2.972 1.00 0.00 C ATOM 1100 CG PHE A 70 5.065 -9.548 -3.987 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.058 -8.684 -3.587 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.331 -9.680 -5.340 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.332 -7.965 -4.518 1.00 0.00 C ATOM 1104 CE2 PHE A 70 4.608 -8.964 -6.275 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.607 -8.106 -5.864 1.00 0.00 C ATOM 0 H PHE A 70 8.171 -9.607 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 70 6.339 -8.629 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.383 -11.134 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.162 -10.792 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.838 -8.571 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.112 -10.350 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.551 -7.294 -4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.826 -9.075 -7.327 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.040 -7.546 -6.594 1.00 0.00 H new ATOM 1115 N GLU A 71 8.538 -11.045 -1.418 1.00 0.00 N ATOM 1116 CA GLU A 71 9.228 -11.882 -0.444 1.00 0.00 C ATOM 1117 C GLU A 71 10.327 -11.097 0.266 1.00 0.00 C ATOM 1118 O GLU A 71 11.104 -10.383 -0.368 1.00 0.00 O ATOM 1119 CB GLU A 71 9.826 -13.113 -1.129 1.00 0.00 C ATOM 1120 CG GLU A 71 9.861 -14.346 -0.242 1.00 0.00 C ATOM 1121 CD GLU A 71 10.415 -15.563 -0.957 1.00 0.00 C ATOM 1122 OE1 GLU A 71 10.788 -15.436 -2.142 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.476 -16.642 -0.332 1.00 0.00 O ATOM 0 H GLU A 71 8.929 -11.083 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 71 8.500 -12.207 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.247 -13.337 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.840 -12.881 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.469 -14.138 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.853 -14.564 0.111 1.00 0.00 H new ATOM 1130 N SER A 72 10.386 -11.236 1.587 1.00 0.00 N ATOM 1131 CA SER A 72 11.387 -10.537 2.385 1.00 0.00 C ATOM 1132 C SER A 72 12.618 -11.412 2.600 1.00 0.00 C ATOM 1133 O SER A 72 13.429 -11.154 3.488 1.00 0.00 O ATOM 1134 CB SER A 72 10.797 -10.126 3.735 1.00 0.00 C ATOM 1135 OG SER A 72 10.179 -8.853 3.656 1.00 0.00 O ATOM 0 H SER A 72 9.753 -11.826 2.127 1.00 0.00 H new ATOM 0 HA SER A 72 11.690 -9.642 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.067 -10.869 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.585 -10.105 4.488 1.00 0.00 H new ATOM 0 HG SER A 72 9.808 -8.614 4.531 1.00 0.00 H new ATOM 1141 N GLY A 73 12.749 -12.450 1.779 1.00 0.00 N ATOM 1142 CA GLY A 73 13.883 -13.348 1.895 1.00 0.00 C ATOM 1143 C GLY A 73 14.490 -13.693 0.549 1.00 0.00 C ATOM 1144 O GLY A 73 15.404 -14.512 0.465 1.00 0.00 O ATOM 0 H GLY A 73 12.090 -12.685 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.644 -12.888 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.567 -14.265 2.393 1.00 0.00 H new ATOM 1148 N ALA A 74 13.979 -13.067 -0.506 1.00 0.00 N ATOM 1149 CA ALA A 74 14.476 -13.312 -1.854 1.00 0.00 C ATOM 1150 C ALA A 74 15.771 -12.548 -2.108 1.00 0.00 C ATOM 1151 O ALA A 74 16.204 -11.748 -1.279 1.00 0.00 O ATOM 1152 CB ALA A 74 13.424 -12.926 -2.883 1.00 0.00 C ATOM 0 H ALA A 74 13.221 -12.386 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 74 14.687 -14.377 -1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.809 -13.114 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.524 -13.519 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.185 -11.868 -2.779 1.00 0.00 H new ATOM 1158 N ARG A 75 16.386 -12.802 -3.259 1.00 0.00 N ATOM 1159 CA ARG A 75 17.633 -12.139 -3.621 1.00 0.00 C ATOM 1160 C ARG A 75 17.669 -11.825 -5.113 1.00 0.00 C ATOM 1161 O ARG A 75 17.527 -10.671 -5.519 1.00 0.00 O ATOM 1162 CB ARG A 75 18.829 -13.016 -3.245 1.00 0.00 C ATOM 1163 CG ARG A 75 18.504 -14.500 -3.196 1.00 0.00 C ATOM 1164 CD ARG A 75 19.710 -15.347 -3.573 1.00 0.00 C ATOM 1165 NE ARG A 75 19.768 -16.588 -2.805 1.00 0.00 N ATOM 1166 CZ ARG A 75 19.078 -17.679 -3.117 1.00 0.00 C ATOM 1167 NH1 ARG A 75 18.280 -17.682 -4.177 1.00 0.00 N ATOM 1168 NH2 ARG A 75 19.184 -18.770 -2.369 1.00 0.00 N ATOM 0 H ARG A 75 16.041 -13.462 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 75 17.690 -11.201 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.630 -12.852 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.207 -12.703 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.169 -14.767 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.680 -14.716 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.671 -15.580 -4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.622 -14.774 -3.406 1.00 0.00 H new ATOM 0 HE ARG A 75 20.372 -16.618 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.196 -16.845 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.751 -18.521 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.796 -18.771 -1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 75 18.653 -19.607 -2.610 1.00 0.00 H new ATOM 1182 N VAL A 76 17.860 -12.859 -5.927 1.00 0.00 N ATOM 1183 CA VAL A 76 17.914 -12.693 -7.374 1.00 0.00 C ATOM 1184 C VAL A 76 17.262 -13.873 -8.087 1.00 0.00 C ATOM 1185 O VAL A 76 17.096 -14.947 -7.508 1.00 0.00 O ATOM 1186 CB VAL A 76 19.365 -12.546 -7.869 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.394 -11.952 -9.269 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.174 -11.695 -6.902 1.00 0.00 C ATOM 0 H VAL A 76 17.980 -13.820 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 76 17.364 -11.781 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 76 19.818 -13.536 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.427 -11.856 -9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.852 -12.605 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.924 -10.969 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.197 -11.602 -7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.724 -10.705 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.181 -12.168 -5.920 1.00 0.00 H new ATOM 1198 N LEU A 77 16.895 -13.666 -9.347 1.00 0.00 N ATOM 1199 CA LEU A 77 16.261 -14.713 -10.141 1.00 0.00 C ATOM 1200 C LEU A 77 17.242 -15.300 -11.150 1.00 0.00 C ATOM 1201 O LEU A 77 18.418 -14.936 -11.174 1.00 0.00 O ATOM 1202 CB LEU A 77 15.035 -14.158 -10.867 1.00 0.00 C ATOM 1203 CG LEU A 77 13.762 -14.024 -10.029 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.052 -12.717 -10.344 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.837 -15.207 -10.271 1.00 0.00 C ATOM 0 H LEU A 77 17.025 -12.783 -9.841 1.00 0.00 H new ATOM 0 HA LEU A 77 15.946 -15.507 -9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.288 -13.176 -11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.819 -14.803 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 77 14.042 -14.017 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.149 -12.639 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.713 -11.880 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.784 -12.694 -11.400 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.937 -15.095 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.564 -15.245 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.347 -16.130 -9.994 1.00 0.00 H new ATOM 1217 N THR A 78 16.750 -16.210 -11.986 1.00 0.00 N ATOM 1218 CA THR A 78 17.582 -16.846 -12.999 1.00 0.00 C ATOM 1219 C THR A 78 17.279 -16.293 -14.387 1.00 0.00 C ATOM 1220 O THR A 78 16.521 -15.335 -14.531 1.00 0.00 O ATOM 1221 CB THR A 78 17.382 -18.373 -13.012 1.00 0.00 C ATOM 1222 OG1 THR A 78 16.092 -18.694 -13.545 1.00 0.00 O ATOM 1223 CG2 THR A 78 17.515 -18.949 -11.610 1.00 0.00 C ATOM 0 H THR A 78 15.779 -16.523 -11.981 1.00 0.00 H new ATOM 0 HA THR A 78 18.618 -16.625 -12.742 1.00 0.00 H new ATOM 0 HB THR A 78 18.155 -18.813 -13.643 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.840 -19.599 -13.268 1.00 0.00 H new ATOM 0 HG21 THR A 78 17.370 -20.029 -11.645 1.00 0.00 H new ATOM 0 HG22 THR A 78 18.508 -18.729 -11.219 1.00 0.00 H new ATOM 0 HG23 THR A 78 16.762 -18.503 -10.960 1.00 0.00 H new ATOM 1231 N ALA A 79 17.875 -16.904 -15.405 1.00 0.00 N ATOM 1232 CA ALA A 79 17.666 -16.474 -16.782 1.00 0.00 C ATOM 1233 C ALA A 79 16.460 -17.175 -17.399 1.00 0.00 C ATOM 1234 O ALA A 79 16.226 -17.083 -18.604 1.00 0.00 O ATOM 1235 CB ALA A 79 18.913 -16.737 -17.613 1.00 0.00 C ATOM 0 H ALA A 79 18.507 -17.698 -15.302 1.00 0.00 H new ATOM 0 HA ALA A 79 17.467 -15.402 -16.775 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.742 -16.411 -18.639 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.754 -16.185 -17.192 1.00 0.00 H new ATOM 0 HB3 ALA A 79 19.138 -17.804 -17.604 1.00 0.00 H new ATOM 1241 N SER A 80 15.698 -17.875 -16.565 1.00 0.00 N ATOM 1242 CA SER A 80 14.518 -18.595 -17.030 1.00 0.00 C ATOM 1243 C SER A 80 13.245 -17.977 -16.460 1.00 0.00 C ATOM 1244 O SER A 80 12.307 -17.673 -17.196 1.00 0.00 O ATOM 1245 CB SER A 80 14.605 -20.070 -16.631 1.00 0.00 C ATOM 1246 OG SER A 80 14.476 -20.228 -15.229 1.00 0.00 O ATOM 0 H SER A 80 15.876 -17.959 -15.564 1.00 0.00 H new ATOM 0 HA SER A 80 14.482 -18.521 -18.117 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.821 -20.634 -17.137 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.558 -20.483 -16.960 1.00 0.00 H new ATOM 0 HG SER A 80 15.008 -19.543 -14.772 1.00 0.00 H new ATOM 1252 N GLU A 81 13.221 -17.794 -15.143 1.00 0.00 N ATOM 1253 CA GLU A 81 12.063 -17.214 -14.474 1.00 0.00 C ATOM 1254 C GLU A 81 11.820 -15.784 -14.950 1.00 0.00 C ATOM 1255 O GLU A 81 10.679 -15.328 -15.026 1.00 0.00 O ATOM 1256 CB GLU A 81 12.260 -17.231 -12.957 1.00 0.00 C ATOM 1257 CG GLU A 81 11.976 -18.582 -12.322 1.00 0.00 C ATOM 1258 CD GLU A 81 12.259 -18.597 -10.832 1.00 0.00 C ATOM 1259 OE1 GLU A 81 11.609 -17.826 -10.096 1.00 0.00 O ATOM 1260 OE2 GLU A 81 13.131 -19.381 -10.402 1.00 0.00 O ATOM 0 H GLU A 81 13.990 -18.039 -14.519 1.00 0.00 H new ATOM 0 HA GLU A 81 11.190 -17.817 -14.726 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.285 -16.940 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.608 -16.483 -12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.933 -18.847 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.583 -19.344 -12.811 1.00 0.00 H new ATOM 1267 N THR A 82 12.902 -15.081 -15.269 1.00 0.00 N ATOM 1268 CA THR A 82 12.808 -13.703 -15.735 1.00 0.00 C ATOM 1269 C THR A 82 12.507 -13.648 -17.228 1.00 0.00 C ATOM 1270 O THR A 82 11.603 -12.934 -17.663 1.00 0.00 O ATOM 1271 CB THR A 82 14.109 -12.926 -15.456 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.231 -13.645 -15.980 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.296 -12.701 -13.963 1.00 0.00 C ATOM 0 H THR A 82 13.854 -15.443 -15.213 1.00 0.00 H new ATOM 0 HA THR A 82 11.990 -13.238 -15.185 1.00 0.00 H new ATOM 0 HB THR A 82 14.039 -11.955 -15.947 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.770 -13.994 -15.240 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.221 -12.151 -13.791 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.455 -12.128 -13.573 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.346 -13.663 -13.454 1.00 0.00 H new ATOM 1281 N LYS A 83 13.268 -14.406 -18.010 1.00 0.00 N ATOM 1282 CA LYS A 83 13.082 -14.445 -19.455 1.00 0.00 C ATOM 1283 C LYS A 83 11.625 -14.729 -19.808 1.00 0.00 C ATOM 1284 O LYS A 83 11.161 -14.390 -20.897 1.00 0.00 O ATOM 1285 CB LYS A 83 13.986 -15.510 -20.078 1.00 0.00 C ATOM 1286 CG LYS A 83 13.708 -15.760 -21.550 1.00 0.00 C ATOM 1287 CD LYS A 83 14.897 -16.406 -22.241 1.00 0.00 C ATOM 1288 CE LYS A 83 14.870 -17.920 -22.097 1.00 0.00 C ATOM 1289 NZ LYS A 83 13.935 -18.554 -23.067 1.00 0.00 N ATOM 0 H LYS A 83 14.021 -15.002 -17.666 1.00 0.00 H new ATOM 0 HA LYS A 83 13.352 -13.469 -19.858 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.026 -15.206 -19.960 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.863 -16.444 -19.530 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.834 -16.403 -21.652 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.469 -14.817 -22.041 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.894 -16.140 -23.298 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.822 -16.015 -21.817 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.874 -18.317 -22.248 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.573 -18.183 -21.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.946 -19.586 -22.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.972 -18.195 -22.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.233 -18.325 -24.037 1.00 0.00 H new ATOM 1303 N THR A 84 10.907 -15.353 -18.880 1.00 0.00 N ATOM 1304 CA THR A 84 9.503 -15.683 -19.093 1.00 0.00 C ATOM 1305 C THR A 84 8.591 -14.659 -18.427 1.00 0.00 C ATOM 1306 O THR A 84 7.504 -14.995 -17.956 1.00 0.00 O ATOM 1307 CB THR A 84 9.167 -17.084 -18.549 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.835 -17.449 -18.927 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.298 -17.123 -17.034 1.00 0.00 C ATOM 0 H THR A 84 11.275 -15.640 -17.973 1.00 0.00 H new ATOM 0 HA THR A 84 9.334 -15.670 -20.170 1.00 0.00 H new ATOM 0 HB THR A 84 9.874 -17.795 -18.977 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.210 -16.753 -18.634 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.056 -18.123 -16.673 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.320 -16.873 -16.751 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.612 -16.401 -16.591 1.00 0.00 H new ATOM 1317 N PHE A 85 9.039 -13.409 -18.392 1.00 0.00 N ATOM 1318 CA PHE A 85 8.262 -12.335 -17.783 1.00 0.00 C ATOM 1319 C PHE A 85 7.885 -11.281 -18.820 1.00 0.00 C ATOM 1320 O PHE A 85 6.769 -10.759 -18.814 1.00 0.00 O ATOM 1321 CB PHE A 85 9.053 -11.686 -16.645 1.00 0.00 C ATOM 1322 CG PHE A 85 8.213 -11.351 -15.446 1.00 0.00 C ATOM 1323 CD1 PHE A 85 7.711 -12.355 -14.633 1.00 0.00 C ATOM 1324 CD2 PHE A 85 7.924 -10.033 -15.132 1.00 0.00 C ATOM 1325 CE1 PHE A 85 6.937 -12.049 -13.529 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.151 -9.721 -14.030 1.00 0.00 C ATOM 1327 CZ PHE A 85 6.658 -10.731 -13.227 1.00 0.00 C ATOM 0 H PHE A 85 9.936 -13.114 -18.778 1.00 0.00 H new ATOM 0 HA PHE A 85 7.346 -12.767 -17.380 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.855 -12.359 -16.340 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.524 -10.775 -17.014 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.927 -13.388 -14.864 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.308 -9.240 -15.756 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.551 -12.840 -12.903 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.933 -8.689 -13.797 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.055 -10.490 -12.364 1.00 0.00 H new ATOM 1337 N LEU A 86 8.822 -10.974 -19.710 1.00 0.00 N ATOM 1338 CA LEU A 86 8.589 -9.982 -20.755 1.00 0.00 C ATOM 1339 C LEU A 86 8.652 -10.623 -22.137 1.00 0.00 C ATOM 1340 O LEU A 86 8.081 -10.106 -23.098 1.00 0.00 O ATOM 1341 CB LEU A 86 9.620 -8.856 -20.654 1.00 0.00 C ATOM 1342 CG LEU A 86 11.084 -9.272 -20.798 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.424 -9.537 -22.256 1.00 0.00 C ATOM 1344 CD2 LEU A 86 12.001 -8.203 -20.220 1.00 0.00 C ATOM 0 H LEU A 86 9.750 -11.397 -19.729 1.00 0.00 H new ATOM 0 HA LEU A 86 7.591 -9.567 -20.613 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.396 -8.116 -21.422 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.496 -8.363 -19.690 1.00 0.00 H new ATOM 0 HG LEU A 86 11.236 -10.195 -20.238 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.470 -9.832 -22.338 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.790 -10.338 -22.638 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.255 -8.632 -22.839 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.039 -8.516 -20.331 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.846 -7.264 -20.752 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.775 -8.063 -19.163 1.00 0.00 H new ATOM 1356 N ALA A 87 9.347 -11.751 -22.230 1.00 0.00 N ATOM 1357 CA ALA A 87 9.481 -12.464 -23.494 1.00 0.00 C ATOM 1358 C ALA A 87 8.294 -13.393 -23.729 1.00 0.00 C ATOM 1359 O ALA A 87 8.251 -14.123 -24.718 1.00 0.00 O ATOM 1360 CB ALA A 87 10.783 -13.251 -23.522 1.00 0.00 C ATOM 0 H ALA A 87 9.826 -12.191 -21.445 1.00 0.00 H new ATOM 0 HA ALA A 87 9.498 -11.728 -24.297 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.869 -13.778 -24.472 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.624 -12.567 -23.409 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.790 -13.972 -22.705 1.00 0.00 H new ATOM 1366 N ALA A 88 7.333 -13.360 -22.811 1.00 0.00 N ATOM 1367 CA ALA A 88 6.145 -14.198 -22.919 1.00 0.00 C ATOM 1368 C ALA A 88 4.901 -13.356 -23.181 1.00 0.00 C ATOM 1369 O ALA A 88 3.834 -13.886 -23.489 1.00 0.00 O ATOM 1370 CB ALA A 88 5.967 -15.026 -21.656 1.00 0.00 C ATOM 0 H ALA A 88 7.354 -12.762 -21.985 1.00 0.00 H new ATOM 0 HA ALA A 88 6.281 -14.871 -23.766 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.076 -15.647 -21.751 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.840 -15.663 -21.513 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.857 -14.362 -20.798 1.00 0.00 H new ATOM 1376 N ALA A 89 5.046 -12.040 -23.057 1.00 0.00 N ATOM 1377 CA ALA A 89 3.934 -11.125 -23.282 1.00 0.00 C ATOM 1378 C ALA A 89 3.365 -11.287 -24.687 1.00 0.00 C ATOM 1379 O ALA A 89 2.291 -11.859 -24.871 1.00 0.00 O ATOM 1380 CB ALA A 89 4.378 -9.688 -23.052 1.00 0.00 C ATOM 0 H ALA A 89 5.922 -11.585 -22.802 1.00 0.00 H new ATOM 0 HA ALA A 89 3.146 -11.368 -22.569 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.537 -9.016 -23.224 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.729 -9.575 -22.026 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.186 -9.442 -23.741 1.00 0.00 H new ATOM 1386 N ASP A 90 4.092 -10.778 -25.676 1.00 0.00 N ATOM 1387 CA ASP A 90 3.660 -10.866 -27.066 1.00 0.00 C ATOM 1388 C ASP A 90 4.860 -10.907 -28.007 1.00 0.00 C ATOM 1389 O ASP A 90 6.008 -10.813 -27.570 1.00 0.00 O ATOM 1390 CB ASP A 90 2.760 -9.681 -27.419 1.00 0.00 C ATOM 1391 CG ASP A 90 1.750 -10.023 -28.497 1.00 0.00 C ATOM 1392 OD1 ASP A 90 0.735 -10.675 -28.174 1.00 0.00 O ATOM 1393 OD2 ASP A 90 1.974 -9.638 -29.664 1.00 0.00 O ATOM 0 H ASP A 90 4.983 -10.300 -25.541 1.00 0.00 H new ATOM 0 HA ASP A 90 3.095 -11.790 -27.187 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.234 -9.349 -26.524 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.377 -8.847 -27.754 1.00 0.00 H new ATOM 1398 N HIS A 91 4.588 -11.049 -29.300 1.00 0.00 N ATOM 1399 CA HIS A 91 5.646 -11.102 -30.303 1.00 0.00 C ATOM 1400 C HIS A 91 5.703 -9.804 -31.103 1.00 0.00 C ATOM 1401 O HIS A 91 6.143 -9.791 -32.252 1.00 0.00 O ATOM 1402 CB HIS A 91 5.425 -12.286 -31.245 1.00 0.00 C ATOM 1403 CG HIS A 91 5.330 -13.604 -30.539 1.00 0.00 C ATOM 1404 ND1 HIS A 91 6.335 -14.547 -30.567 1.00 0.00 N ATOM 1405 CD2 HIS A 91 4.341 -14.133 -29.781 1.00 0.00 C ATOM 1406 CE1 HIS A 91 5.968 -15.600 -29.859 1.00 0.00 C ATOM 1407 NE2 HIS A 91 4.762 -15.374 -29.371 1.00 0.00 N ATOM 0 H HIS A 91 3.644 -11.129 -29.678 1.00 0.00 H new ATOM 0 HA HIS A 91 6.597 -11.231 -29.786 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.510 -12.121 -31.814 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.244 -12.326 -31.963 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.397 -13.666 -29.543 1.00 0.00 H new ATOM 0 HE1 HIS A 91 6.555 -16.494 -29.705 1.00 0.00 H new ATOM 0 HE2 HIS A 91 4.230 -16.017 -28.785 1.00 0.00 H new ATOM 1415 N ASP A 92 5.253 -8.716 -30.487 1.00 0.00 N ATOM 1416 CA ASP A 92 5.253 -7.413 -31.142 1.00 0.00 C ATOM 1417 C ASP A 92 6.644 -7.066 -31.663 1.00 0.00 C ATOM 1418 O ASP A 92 6.788 -6.466 -32.727 1.00 0.00 O ATOM 1419 CB ASP A 92 4.774 -6.331 -30.172 1.00 0.00 C ATOM 1420 CG ASP A 92 4.398 -5.045 -30.880 1.00 0.00 C ATOM 1421 OD1 ASP A 92 3.393 -5.047 -31.622 1.00 0.00 O ATOM 1422 OD2 ASP A 92 5.107 -4.035 -30.691 1.00 0.00 O ATOM 0 H ASP A 92 4.884 -8.711 -29.536 1.00 0.00 H new ATOM 0 HA ASP A 92 4.569 -7.460 -31.989 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.913 -6.701 -29.616 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.559 -6.126 -29.445 1.00 0.00 H new ATOM 1427 N GLY A 93 7.667 -7.448 -30.904 1.00 0.00 N ATOM 1428 CA GLY A 93 9.034 -7.169 -31.305 1.00 0.00 C ATOM 1429 C GLY A 93 10.045 -7.984 -30.526 1.00 0.00 C ATOM 1430 O GLY A 93 10.533 -9.007 -31.008 1.00 0.00 O ATOM 0 H GLY A 93 7.573 -7.946 -30.019 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.147 -7.377 -32.369 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.241 -6.108 -31.164 1.00 0.00 H new ATOM 1434 N ASP A 94 10.364 -7.531 -29.318 1.00 0.00 N ATOM 1435 CA ASP A 94 11.325 -8.226 -28.470 1.00 0.00 C ATOM 1436 C ASP A 94 10.871 -8.217 -27.013 1.00 0.00 C ATOM 1437 O ASP A 94 11.681 -8.362 -26.099 1.00 0.00 O ATOM 1438 CB ASP A 94 12.705 -7.578 -28.590 1.00 0.00 C ATOM 1439 CG ASP A 94 13.828 -8.539 -28.249 1.00 0.00 C ATOM 1440 OD1 ASP A 94 14.142 -9.407 -29.089 1.00 0.00 O ATOM 1441 OD2 ASP A 94 14.392 -8.421 -27.141 1.00 0.00 O ATOM 0 H ASP A 94 9.971 -6.686 -28.904 1.00 0.00 H new ATOM 0 HA ASP A 94 11.387 -9.261 -28.806 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.843 -7.209 -29.606 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.756 -6.714 -27.927 1.00 0.00 H new ATOM 1446 N GLY A 95 9.569 -8.043 -26.806 1.00 0.00 N ATOM 1447 CA GLY A 95 9.030 -8.017 -25.459 1.00 0.00 C ATOM 1448 C GLY A 95 8.985 -6.617 -24.879 1.00 0.00 C ATOM 1449 O GLY A 95 8.921 -6.442 -23.662 1.00 0.00 O ATOM 0 H GLY A 95 8.879 -7.920 -27.547 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.024 -8.437 -25.465 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.637 -8.654 -24.816 1.00 0.00 H new ATOM 1453 N LYS A 96 9.021 -5.616 -25.752 1.00 0.00 N ATOM 1454 CA LYS A 96 8.985 -4.223 -25.321 1.00 0.00 C ATOM 1455 C LYS A 96 7.610 -3.859 -24.772 1.00 0.00 C ATOM 1456 O LYS A 96 6.762 -3.333 -25.495 1.00 0.00 O ATOM 1457 CB LYS A 96 9.343 -3.298 -26.487 1.00 0.00 C ATOM 1458 CG LYS A 96 10.829 -3.004 -26.596 1.00 0.00 C ATOM 1459 CD LYS A 96 11.609 -4.231 -27.039 1.00 0.00 C ATOM 1460 CE LYS A 96 13.075 -3.903 -27.276 1.00 0.00 C ATOM 1461 NZ LYS A 96 13.832 -3.788 -25.999 1.00 0.00 N ATOM 0 H LYS A 96 9.075 -5.743 -26.763 1.00 0.00 H new ATOM 0 HA LYS A 96 9.719 -4.095 -24.525 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.002 -3.752 -27.418 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.803 -2.358 -26.373 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.989 -2.194 -27.307 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.205 -2.661 -25.632 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.527 -5.009 -26.280 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.172 -4.631 -27.954 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.525 -4.678 -27.896 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.153 -2.967 -27.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.827 -3.564 -26.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.419 -3.031 -25.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.780 -4.689 -25.482 1.00 0.00 H new ATOM 1475 N ILE A 97 7.395 -4.140 -23.492 1.00 0.00 N ATOM 1476 CA ILE A 97 6.123 -3.839 -22.847 1.00 0.00 C ATOM 1477 C ILE A 97 5.843 -2.340 -22.857 1.00 0.00 C ATOM 1478 O ILE A 97 6.763 -1.525 -22.807 1.00 0.00 O ATOM 1479 CB ILE A 97 6.096 -4.345 -21.392 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.521 -5.813 -21.332 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.709 -4.164 -20.794 1.00 0.00 C ATOM 1482 CD1 ILE A 97 5.667 -6.725 -22.185 1.00 0.00 C ATOM 0 H ILE A 97 8.085 -4.576 -22.880 1.00 0.00 H new ATOM 0 HA ILE A 97 5.350 -4.355 -23.417 1.00 0.00 H new ATOM 0 HB ILE A 97 6.802 -3.758 -20.805 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.559 -5.896 -21.653 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.480 -6.153 -20.297 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.706 -4.526 -19.766 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.442 -3.107 -20.807 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.984 -4.729 -21.380 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.026 -7.750 -22.094 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.631 -6.672 -21.850 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.728 -6.411 -23.227 1.00 0.00 H new ATOM 1494 N GLY A 98 4.563 -1.983 -22.921 1.00 0.00 N ATOM 1495 CA GLY A 98 4.184 -0.583 -22.935 1.00 0.00 C ATOM 1496 C GLY A 98 2.925 -0.315 -22.133 1.00 0.00 C ATOM 1497 O GLY A 98 1.970 0.271 -22.642 1.00 0.00 O ATOM 0 H GLY A 98 3.783 -2.639 -22.963 1.00 0.00 H new ATOM 0 HA2 GLY A 98 5.001 0.016 -22.533 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.030 -0.262 -23.965 1.00 0.00 H new ATOM 1501 N ALA A 99 2.923 -0.747 -20.877 1.00 0.00 N ATOM 1502 CA ALA A 99 1.772 -0.550 -20.003 1.00 0.00 C ATOM 1503 C ALA A 99 0.487 -1.022 -20.675 1.00 0.00 C ATOM 1504 O ALA A 99 -0.567 -0.405 -20.520 1.00 0.00 O ATOM 1505 CB ALA A 99 1.656 0.913 -19.605 1.00 0.00 C ATOM 0 H ALA A 99 3.705 -1.236 -20.441 1.00 0.00 H new ATOM 0 HA ALA A 99 1.922 -1.148 -19.104 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.793 1.045 -18.953 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.559 1.219 -19.078 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.533 1.525 -20.499 1.00 0.00 H new ATOM 1511 N GLU A 100 0.582 -2.118 -21.421 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.575 -2.671 -22.117 1.00 0.00 C ATOM 1513 C GLU A 100 -0.442 -4.182 -22.278 1.00 0.00 C ATOM 1514 O GLU A 100 -1.342 -4.937 -21.913 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.735 -2.012 -23.488 1.00 0.00 C ATOM 1516 CG GLU A 100 -1.162 -0.555 -23.418 1.00 0.00 C ATOM 1517 CD GLU A 100 -1.347 0.065 -24.789 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -0.685 -0.396 -25.743 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -2.153 1.011 -24.909 1.00 0.00 O ATOM 0 H GLU A 100 1.447 -2.640 -21.559 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.461 -2.464 -21.517 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.210 -2.079 -24.026 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.471 -2.570 -24.066 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.096 -0.480 -22.861 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.414 0.013 -22.865 1.00 0.00 H new ATOM 1526 N GLU A 101 0.688 -4.615 -22.829 1.00 0.00 N ATOM 1527 CA GLU A 101 0.938 -6.036 -23.041 1.00 0.00 C ATOM 1528 C GLU A 101 0.791 -6.815 -21.737 1.00 0.00 C ATOM 1529 O GLU A 101 0.023 -7.774 -21.656 1.00 0.00 O ATOM 1530 CB GLU A 101 2.339 -6.249 -23.620 1.00 0.00 C ATOM 1531 CG GLU A 101 2.521 -5.656 -25.006 1.00 0.00 C ATOM 1532 CD GLU A 101 3.223 -4.312 -24.978 1.00 0.00 C ATOM 1533 OE1 GLU A 101 2.682 -3.373 -24.358 1.00 0.00 O ATOM 1534 OE2 GLU A 101 4.313 -4.200 -25.576 1.00 0.00 O ATOM 0 H GLU A 101 1.444 -4.003 -23.136 1.00 0.00 H new ATOM 0 HA GLU A 101 0.199 -6.407 -23.751 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.073 -5.807 -22.946 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.547 -7.318 -23.661 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.095 -6.349 -25.621 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.546 -5.543 -25.479 1.00 0.00 H new ATOM 1541 N PHE A 102 1.533 -6.395 -20.717 1.00 0.00 N ATOM 1542 CA PHE A 102 1.488 -7.053 -19.416 1.00 0.00 C ATOM 1543 C PHE A 102 0.066 -7.062 -18.862 1.00 0.00 C ATOM 1544 O PHE A 102 -0.476 -8.118 -18.535 1.00 0.00 O ATOM 1545 CB PHE A 102 2.426 -6.351 -18.433 1.00 0.00 C ATOM 1546 CG PHE A 102 2.876 -7.231 -17.302 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.007 -7.560 -16.274 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.169 -7.730 -17.267 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.418 -8.370 -15.232 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.585 -8.541 -16.228 1.00 0.00 C ATOM 1551 CZ PHE A 102 3.709 -8.860 -15.209 1.00 0.00 C ATOM 0 H PHE A 102 2.173 -5.602 -20.766 1.00 0.00 H new ATOM 0 HA PHE A 102 1.816 -8.084 -19.546 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.302 -5.991 -18.973 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.921 -5.476 -18.023 1.00 0.00 H new ATOM 0 HD1 PHE A 102 0.997 -7.179 -16.287 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.859 -7.482 -18.060 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.731 -8.619 -14.437 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.594 -8.925 -16.213 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.033 -9.492 -14.395 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.530 -5.879 -18.757 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.887 -5.751 -18.241 1.00 0.00 C ATOM 1563 C GLN A 103 -2.842 -6.680 -18.983 1.00 0.00 C ATOM 1564 O GLN A 103 -3.791 -7.204 -18.400 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.368 -4.304 -18.363 1.00 0.00 C ATOM 1566 CG GLN A 103 -1.793 -3.381 -17.300 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.281 -3.292 -17.360 1.00 0.00 C ATOM 1568 OE1 GLN A 103 0.402 -3.457 -16.349 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.250 -3.030 -18.548 1.00 0.00 N ATOM 0 H GLN A 103 -0.094 -4.996 -19.022 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.876 -6.036 -17.189 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.099 -3.922 -19.348 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.456 -4.285 -18.299 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.217 -2.384 -17.422 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.093 -3.737 -16.314 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.354 -2.900 -19.359 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.262 -2.958 -18.649 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.584 -6.879 -20.272 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.423 -7.745 -21.093 1.00 0.00 C ATOM 1580 C GLU A 104 -3.079 -9.213 -20.863 1.00 0.00 C ATOM 1581 O GLU A 104 -3.936 -10.088 -20.980 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.257 -7.397 -22.574 1.00 0.00 C ATOM 1583 CG GLU A 104 -3.913 -6.084 -22.968 1.00 0.00 C ATOM 1584 CD GLU A 104 -5.392 -6.237 -23.263 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -5.830 -7.376 -23.529 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -6.112 -5.217 -23.228 1.00 0.00 O ATOM 0 H GLU A 104 -1.802 -6.453 -20.770 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.461 -7.584 -20.803 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.194 -7.348 -22.810 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.680 -8.200 -23.177 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.780 -5.360 -22.164 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.411 -5.681 -23.847 1.00 0.00 H new ATOM 1593 N MET A 105 -1.818 -9.475 -20.534 1.00 0.00 N ATOM 1594 CA MET A 105 -1.360 -10.837 -20.286 1.00 0.00 C ATOM 1595 C MET A 105 -2.024 -11.416 -19.040 1.00 0.00 C ATOM 1596 O MET A 105 -2.558 -12.525 -19.067 1.00 0.00 O ATOM 1597 CB MET A 105 0.161 -10.866 -20.128 1.00 0.00 C ATOM 1598 CG MET A 105 0.687 -12.170 -19.550 1.00 0.00 C ATOM 1599 SD MET A 105 2.277 -12.650 -20.253 1.00 0.00 S ATOM 1600 CE MET A 105 3.320 -11.314 -19.676 1.00 0.00 C ATOM 0 H MET A 105 -1.096 -8.762 -20.433 1.00 0.00 H new ATOM 0 HA MET A 105 -1.640 -11.449 -21.143 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.622 -10.697 -21.101 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.467 -10.042 -19.483 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.787 -12.070 -18.469 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.040 -12.962 -19.730 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.352 -11.505 -19.970 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.985 -10.375 -20.116 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.259 -11.248 -18.590 1.00 0.00 H new ATOM 1610 N VAL A 106 -1.986 -10.657 -17.949 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.584 -11.094 -16.693 1.00 0.00 C ATOM 1612 C VAL A 106 -4.067 -11.400 -16.868 1.00 0.00 C ATOM 1613 O VAL A 106 -4.534 -12.481 -16.511 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.417 -10.031 -15.592 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -2.794 -10.604 -14.234 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -0.992 -9.499 -15.578 1.00 0.00 C ATOM 0 H VAL A 106 -1.548 -9.737 -17.910 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.061 -12.002 -16.393 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.089 -9.200 -15.808 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.670 -9.838 -13.469 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.833 -10.932 -14.253 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.150 -11.453 -14.006 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.891 -8.749 -14.794 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.299 -10.319 -15.387 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.763 -9.048 -16.543 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.802 -10.440 -17.421 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.234 -10.607 -17.643 1.00 0.00 C ATOM 1628 C GLN A 107 -6.523 -11.916 -18.371 1.00 0.00 C ATOM 1629 O GLN A 107 -7.568 -12.533 -18.168 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.787 -9.429 -18.446 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.865 -8.135 -17.654 1.00 0.00 C ATOM 1632 CD GLN A 107 -7.521 -8.318 -16.299 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -6.706 -8.482 -15.264 1.00 0.00 O flip ATOM 1634 NE2 GLN A 107 -8.747 -8.312 -16.185 1.00 0.00 N flip ATOM 0 H GLN A 107 -4.430 -9.540 -17.723 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.726 -10.638 -16.671 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.159 -9.271 -19.323 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.783 -9.683 -18.809 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.860 -7.737 -17.516 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.424 -7.396 -18.227 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.335 -8.183 -17.008 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.174 -8.436 -15.267 1.00 0.00 H new ATOM 1643 N SER A 108 -5.589 -12.333 -19.220 1.00 0.00 N ATOM 1644 CA SER A 108 -5.745 -13.566 -19.982 1.00 0.00 C ATOM 1645 C SER A 108 -5.036 -14.726 -19.290 1.00 0.00 C ATOM 1646 O SER A 108 -5.531 -15.852 -19.280 1.00 0.00 O ATOM 1647 CB SER A 108 -5.194 -13.389 -21.398 1.00 0.00 C ATOM 1648 OG SER A 108 -5.955 -12.441 -22.127 1.00 0.00 O ATOM 0 H SER A 108 -4.717 -11.835 -19.397 1.00 0.00 H new ATOM 0 HA SER A 108 -6.809 -13.796 -20.040 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.154 -13.065 -21.349 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.205 -14.347 -21.918 1.00 0.00 H new ATOM 0 HG SER A 108 -5.581 -12.345 -23.028 1.00 0.00 H new TER 1654 SER A 108