USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 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 40 SER OG : rot 123:sc= 1.22 USER MOD Set 1.2: A 41 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 44 LYS NZ :NH3+ -177:sc= 0.895 (180deg=0.871) USER MOD Set 1.4: A 103 GLN : amide:sc= -0.917 K(o=1.2,f=-3.4) USER MOD Set 2.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= -0.938 USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.309 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.602 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 3:sc= 0.0469 USER MOD Single : A 19 GLN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 23 SER OG : rot -72:sc= 0.154 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.042) USER MOD Single : A 31 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 33 SER OG : rot -77:sc= -0.369 USER MOD Single : A 35 MET CE :methyl 160:sc= -0.139 (180deg=-0.754) USER MOD Single : A 36 SER OG : rot -157:sc= 0.125 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 42 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.28) USER MOD Single : A 52 ASN : amide:sc=-0.000571 X(o=-0.00057,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.00357 X(o=-0.0036,f=-0.006) USER MOD Single : A 55 SER OG : rot 180:sc= -0.725 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 : amide:sc= -1.9 K(o=-1.9,f=-2.7) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 53:sc= 0.0334 USER MOD Single : A 80 SER OG : rot -32:sc= 0.521 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 94:sc= 0.522 USER MOD Single : A 91 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=-0.28) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -116:sc= -5! (180deg=-7.17!) USER MOD Single : A 107 GLN : amide:sc= -3.46 K(o=-3.5,f=-6.5!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.027 -0.357 -2.000 1.00 2.33 N ATOM 2 CA SER A 1 1.392 -0.481 -2.499 1.00 13.04 C ATOM 3 C SER A 1 1.884 -1.920 -2.382 1.00 74.54 C ATOM 4 O SER A 1 1.542 -2.631 -1.436 1.00 60.32 O ATOM 5 CB SER A 1 2.326 0.453 -1.728 1.00 3.14 C ATOM 6 OG SER A 1 3.478 0.767 -2.491 1.00 60.53 O ATOM 0 H1 SER A 1 -0.616 -0.163 -2.794 1.00 2.33 H new ATOM 0 H2 SER A 1 -0.255 -1.244 -1.535 1.00 2.33 H new ATOM 0 H3 SER A 1 -0.023 0.424 -1.315 1.00 2.33 H new ATOM 0 HA SER A 1 1.395 -0.198 -3.552 1.00 13.04 H new ATOM 0 HB2 SER A 1 1.796 1.370 -1.470 1.00 3.14 H new ATOM 0 HB3 SER A 1 2.624 -0.018 -0.791 1.00 3.14 H new ATOM 0 HG SER A 1 4.058 1.367 -1.976 1.00 60.53 H new ATOM 12 N LEU A 2 2.688 -2.344 -3.351 1.00 72.02 N ATOM 13 CA LEU A 2 3.228 -3.699 -3.359 1.00 61.14 C ATOM 14 C LEU A 2 4.726 -3.690 -3.069 1.00 54.13 C ATOM 15 O LEU A 2 5.190 -4.324 -2.121 1.00 71.22 O ATOM 16 CB LEU A 2 2.963 -4.367 -4.710 1.00 13.03 C ATOM 17 CG LEU A 2 1.643 -4.003 -5.390 1.00 73.35 C ATOM 18 CD1 LEU A 2 0.520 -3.920 -4.368 1.00 70.41 C ATOM 19 CD2 LEU A 2 1.777 -2.689 -6.146 1.00 73.21 C ATOM 0 H LEU A 2 2.980 -1.769 -4.141 1.00 72.02 H new ATOM 0 HA LEU A 2 2.728 -4.267 -2.575 1.00 61.14 H new ATOM 0 HB2 LEU A 2 3.779 -4.112 -5.386 1.00 13.03 H new ATOM 0 HB3 LEU A 2 2.991 -5.448 -4.570 1.00 13.03 H new ATOM 0 HG LEU A 2 1.397 -4.788 -6.106 1.00 73.35 H new ATOM 0 HD11 LEU A 2 -0.411 -3.660 -4.871 1.00 70.41 H new ATOM 0 HD12 LEU A 2 0.407 -4.884 -3.872 1.00 70.41 H new ATOM 0 HD13 LEU A 2 0.758 -3.156 -3.627 1.00 70.41 H new ATOM 0 HD21 LEU A 2 0.828 -2.446 -6.624 1.00 73.21 H new ATOM 0 HD22 LEU A 2 2.047 -1.895 -5.450 1.00 73.21 H new ATOM 0 HD23 LEU A 2 2.552 -2.784 -6.906 1.00 73.21 H new ATOM 31 N THR A 3 5.478 -2.964 -3.891 1.00 20.40 N ATOM 32 CA THR A 3 6.923 -2.871 -3.722 1.00 74.25 C ATOM 33 C THR A 3 7.558 -4.255 -3.650 1.00 1.15 C ATOM 34 O THR A 3 8.649 -4.419 -3.104 1.00 22.34 O ATOM 35 CB THR A 3 7.290 -2.082 -2.452 1.00 23.34 C ATOM 36 OG1 THR A 3 6.113 -1.823 -1.678 1.00 63.03 O ATOM 37 CG2 THR A 3 7.969 -0.768 -2.808 1.00 31.22 C ATOM 0 H THR A 3 5.110 -2.432 -4.680 1.00 20.40 H new ATOM 0 HA THR A 3 7.310 -2.342 -4.593 1.00 74.25 H new ATOM 0 HB THR A 3 7.984 -2.684 -1.865 1.00 23.34 H new ATOM 0 HG1 THR A 3 6.356 -1.322 -0.871 1.00 63.03 H new ATOM 0 HG21 THR A 3 8.219 -0.228 -1.895 1.00 31.22 H new ATOM 0 HG22 THR A 3 8.880 -0.970 -3.371 1.00 31.22 H new ATOM 0 HG23 THR A 3 7.295 -0.163 -3.414 1.00 31.22 H new ATOM 45 N ASP A 4 6.869 -5.247 -4.203 1.00 45.23 N ATOM 46 CA ASP A 4 7.368 -6.617 -4.202 1.00 70.35 C ATOM 47 C ASP A 4 7.481 -7.155 -5.625 1.00 73.35 C ATOM 48 O ASP A 4 7.997 -8.251 -5.846 1.00 33.52 O ATOM 49 CB ASP A 4 6.448 -7.517 -3.375 1.00 41.33 C ATOM 50 CG ASP A 4 7.190 -8.676 -2.740 1.00 62.24 C ATOM 51 OD1 ASP A 4 8.263 -8.440 -2.148 1.00 5.13 O ATOM 52 OD2 ASP A 4 6.698 -9.820 -2.837 1.00 22.21 O ATOM 0 H ASP A 4 5.964 -5.128 -4.658 1.00 45.23 H new ATOM 0 HA ASP A 4 8.361 -6.615 -3.753 1.00 70.35 H new ATOM 0 HB2 ASP A 4 5.970 -6.924 -2.595 1.00 41.33 H new ATOM 0 HB3 ASP A 4 5.654 -7.904 -4.013 1.00 41.33 H new ATOM 57 N ILE A 5 6.994 -6.378 -6.587 1.00 1.22 N ATOM 58 CA ILE A 5 7.041 -6.777 -7.988 1.00 55.40 C ATOM 59 C ILE A 5 7.621 -5.666 -8.857 1.00 23.03 C ATOM 60 O ILE A 5 8.437 -5.919 -9.744 1.00 63.20 O ATOM 61 CB ILE A 5 5.641 -7.146 -8.515 1.00 23.32 C ATOM 62 CG1 ILE A 5 4.990 -8.192 -7.607 1.00 3.55 C ATOM 63 CG2 ILE A 5 5.732 -7.661 -9.943 1.00 62.15 C ATOM 64 CD1 ILE A 5 4.151 -7.592 -6.500 1.00 3.11 C ATOM 0 H ILE A 5 6.562 -5.469 -6.422 1.00 1.22 H new ATOM 0 HA ILE A 5 7.686 -7.654 -8.045 1.00 55.40 H new ATOM 0 HB ILE A 5 5.020 -6.251 -8.511 1.00 23.32 H new ATOM 0 HG12 ILE A 5 4.364 -8.848 -8.212 1.00 3.55 H new ATOM 0 HG13 ILE A 5 5.769 -8.814 -7.166 1.00 3.55 H new ATOM 0 HG21 ILE A 5 4.735 -7.918 -10.301 1.00 62.15 H new ATOM 0 HG22 ILE A 5 6.160 -6.888 -10.582 1.00 62.15 H new ATOM 0 HG23 ILE A 5 6.367 -8.547 -9.971 1.00 62.15 H new ATOM 0 HD11 ILE A 5 3.720 -8.391 -5.896 1.00 3.11 H new ATOM 0 HD12 ILE A 5 4.777 -6.959 -5.871 1.00 3.11 H new ATOM 0 HD13 ILE A 5 3.350 -6.993 -6.934 1.00 3.11 H new ATOM 76 N LEU A 6 7.197 -4.435 -8.595 1.00 2.33 N ATOM 77 CA LEU A 6 7.676 -3.283 -9.351 1.00 65.24 C ATOM 78 C LEU A 6 8.223 -2.207 -8.418 1.00 74.41 C ATOM 79 O LEU A 6 7.875 -2.160 -7.238 1.00 74.03 O ATOM 80 CB LEU A 6 6.549 -2.706 -10.209 1.00 33.13 C ATOM 81 CG LEU A 6 6.190 -3.498 -11.467 1.00 15.23 C ATOM 82 CD1 LEU A 6 4.768 -3.185 -11.906 1.00 75.41 C ATOM 83 CD2 LEU A 6 7.174 -3.195 -12.587 1.00 24.25 C ATOM 0 H LEU A 6 6.522 -4.209 -7.864 1.00 2.33 H new ATOM 0 HA LEU A 6 8.484 -3.618 -10.001 1.00 65.24 H new ATOM 0 HB2 LEU A 6 5.656 -2.621 -9.590 1.00 33.13 H new ATOM 0 HB3 LEU A 6 6.828 -1.695 -10.507 1.00 33.13 H new ATOM 0 HG LEU A 6 6.252 -4.561 -11.234 1.00 15.23 H new ATOM 0 HD11 LEU A 6 4.530 -3.757 -12.803 1.00 75.41 H new ATOM 0 HD12 LEU A 6 4.074 -3.453 -11.109 1.00 75.41 H new ATOM 0 HD13 LEU A 6 4.680 -2.120 -12.121 1.00 75.41 H new ATOM 0 HD21 LEU A 6 6.903 -3.767 -13.474 1.00 24.25 H new ATOM 0 HD22 LEU A 6 7.145 -2.130 -12.819 1.00 24.25 H new ATOM 0 HD23 LEU A 6 8.180 -3.470 -12.271 1.00 24.25 H new ATOM 95 N SER A 7 9.078 -1.344 -8.955 1.00 44.14 N ATOM 96 CA SER A 7 9.674 -0.269 -8.170 1.00 60.13 C ATOM 97 C SER A 7 8.674 0.862 -7.951 1.00 33.34 C ATOM 98 O SER A 7 7.672 0.985 -8.656 1.00 31.43 O ATOM 99 CB SER A 7 10.924 0.269 -8.869 1.00 50.22 C ATOM 100 OG SER A 7 12.079 0.072 -8.072 1.00 12.11 O ATOM 0 H SER A 7 9.374 -1.368 -9.931 1.00 44.14 H new ATOM 0 HA SER A 7 9.956 -0.675 -7.199 1.00 60.13 H new ATOM 0 HB2 SER A 7 11.051 -0.231 -9.829 1.00 50.22 H new ATOM 0 HB3 SER A 7 10.799 1.332 -9.077 1.00 50.22 H new ATOM 0 HG SER A 7 12.864 0.423 -8.542 1.00 12.11 H new ATOM 106 N PRO A 8 8.950 1.709 -6.948 1.00 64.21 N ATOM 107 CA PRO A 8 8.088 2.845 -6.611 1.00 51.33 C ATOM 108 C PRO A 8 8.126 3.937 -7.675 1.00 50.20 C ATOM 109 O PRO A 8 7.085 4.413 -8.127 1.00 53.11 O ATOM 110 CB PRO A 8 8.677 3.360 -5.295 1.00 60.15 C ATOM 111 CG PRO A 8 10.103 2.931 -5.326 1.00 24.03 C ATOM 112 CD PRO A 8 10.127 1.623 -6.067 1.00 32.34 C ATOM 0 HA PRO A 8 7.040 2.554 -6.540 1.00 51.33 H new ATOM 0 HB2 PRO A 8 8.591 4.444 -5.220 1.00 60.15 H new ATOM 0 HB3 PRO A 8 8.155 2.939 -4.436 1.00 60.15 H new ATOM 0 HG2 PRO A 8 10.723 3.674 -5.827 1.00 24.03 H new ATOM 0 HG3 PRO A 8 10.497 2.815 -4.317 1.00 24.03 H new ATOM 0 HD2 PRO A 8 11.048 1.501 -6.637 1.00 32.34 H new ATOM 0 HD3 PRO A 8 10.059 0.774 -5.387 1.00 32.34 H new ATOM 120 N SER A 9 9.333 4.330 -8.071 1.00 33.41 N ATOM 121 CA SER A 9 9.506 5.368 -9.080 1.00 0.24 C ATOM 122 C SER A 9 8.712 5.039 -10.340 1.00 53.30 C ATOM 123 O SER A 9 8.017 5.894 -10.890 1.00 34.04 O ATOM 124 CB SER A 9 10.988 5.531 -9.425 1.00 15.32 C ATOM 125 OG SER A 9 11.592 4.276 -9.683 1.00 23.02 O ATOM 0 H SER A 9 10.205 3.945 -7.708 1.00 33.41 H new ATOM 0 HA SER A 9 9.130 6.305 -8.670 1.00 0.24 H new ATOM 0 HB2 SER A 9 11.093 6.175 -10.298 1.00 15.32 H new ATOM 0 HB3 SER A 9 11.504 6.024 -8.601 1.00 15.32 H new ATOM 0 HG SER A 9 12.538 4.407 -9.903 1.00 23.02 H new ATOM 131 N ASP A 10 8.821 3.795 -10.792 1.00 75.02 N ATOM 132 CA ASP A 10 8.112 3.351 -11.987 1.00 43.02 C ATOM 133 C ASP A 10 6.607 3.544 -11.830 1.00 23.10 C ATOM 134 O ASP A 10 5.908 3.861 -12.793 1.00 5.20 O ATOM 135 CB ASP A 10 8.424 1.881 -12.274 1.00 15.31 C ATOM 136 CG ASP A 10 9.862 1.667 -12.703 1.00 12.02 C ATOM 137 OD1 ASP A 10 10.367 2.475 -13.510 1.00 62.02 O ATOM 138 OD2 ASP A 10 10.482 0.692 -12.230 1.00 63.15 O ATOM 0 H ASP A 10 9.393 3.076 -10.349 1.00 75.02 H new ATOM 0 HA ASP A 10 8.451 3.957 -12.827 1.00 43.02 H new ATOM 0 HB2 ASP A 10 8.222 1.289 -11.381 1.00 15.31 H new ATOM 0 HB3 ASP A 10 7.757 1.517 -13.055 1.00 15.31 H new ATOM 143 N ILE A 11 6.115 3.349 -10.611 1.00 41.12 N ATOM 144 CA ILE A 11 4.693 3.502 -10.329 1.00 23.33 C ATOM 145 C ILE A 11 4.307 4.974 -10.229 1.00 64.45 C ATOM 146 O ILE A 11 3.372 5.426 -10.888 1.00 52.23 O ATOM 147 CB ILE A 11 4.300 2.790 -9.021 1.00 13.12 C ATOM 148 CG1 ILE A 11 4.496 1.279 -9.158 1.00 24.14 C ATOM 149 CG2 ILE A 11 2.858 3.111 -8.656 1.00 40.32 C ATOM 150 CD1 ILE A 11 4.907 0.604 -7.868 1.00 24.22 C ATOM 0 H ILE A 11 6.680 3.085 -9.804 1.00 41.12 H new ATOM 0 HA ILE A 11 4.155 3.044 -11.159 1.00 23.33 H new ATOM 0 HB ILE A 11 4.946 3.150 -8.221 1.00 13.12 H new ATOM 0 HG12 ILE A 11 3.568 0.831 -9.513 1.00 24.14 H new ATOM 0 HG13 ILE A 11 5.254 1.086 -9.917 1.00 24.14 H new ATOM 0 HG21 ILE A 11 2.595 2.601 -7.729 1.00 40.32 H new ATOM 0 HG22 ILE A 11 2.748 4.187 -8.522 1.00 40.32 H new ATOM 0 HG23 ILE A 11 2.197 2.776 -9.455 1.00 40.32 H new ATOM 0 HD11 ILE A 11 5.028 -0.466 -8.040 1.00 24.22 H new ATOM 0 HD12 ILE A 11 5.851 1.025 -7.522 1.00 24.22 H new ATOM 0 HD13 ILE A 11 4.139 0.766 -7.112 1.00 24.22 H new ATOM 162 N ALA A 12 5.036 5.716 -9.403 1.00 1.34 N ATOM 163 CA ALA A 12 4.773 7.138 -9.220 1.00 51.20 C ATOM 164 C ALA A 12 4.872 7.889 -10.543 1.00 50.34 C ATOM 165 O ALA A 12 4.147 8.856 -10.775 1.00 75.01 O ATOM 166 CB ALA A 12 5.739 7.727 -8.203 1.00 11.51 C ATOM 0 H ALA A 12 5.814 5.356 -8.850 1.00 1.34 H new ATOM 0 HA ALA A 12 3.756 7.249 -8.845 1.00 51.20 H new ATOM 0 HB1 ALA A 12 5.531 8.789 -8.076 1.00 11.51 H new ATOM 0 HB2 ALA A 12 5.617 7.217 -7.247 1.00 11.51 H new ATOM 0 HB3 ALA A 12 6.762 7.597 -8.555 1.00 11.51 H new ATOM 172 N ALA A 13 5.775 7.439 -11.408 1.00 61.30 N ATOM 173 CA ALA A 13 5.968 8.068 -12.709 1.00 31.33 C ATOM 174 C ALA A 13 4.791 7.783 -13.636 1.00 22.10 C ATOM 175 O ALA A 13 4.465 8.590 -14.506 1.00 65.54 O ATOM 176 CB ALA A 13 7.267 7.589 -13.339 1.00 61.22 C ATOM 0 H ALA A 13 6.385 6.641 -11.231 1.00 61.30 H new ATOM 0 HA ALA A 13 6.026 9.146 -12.559 1.00 31.33 H new ATOM 0 HB1 ALA A 13 7.398 8.067 -14.310 1.00 61.22 H new ATOM 0 HB2 ALA A 13 8.104 7.849 -12.690 1.00 61.22 H new ATOM 0 HB3 ALA A 13 7.231 6.507 -13.469 1.00 61.22 H new ATOM 182 N ALA A 14 4.158 6.631 -13.444 1.00 32.52 N ATOM 183 CA ALA A 14 3.017 6.240 -14.262 1.00 55.43 C ATOM 184 C ALA A 14 1.727 6.866 -13.741 1.00 4.32 C ATOM 185 O ALA A 14 0.918 7.380 -14.514 1.00 35.12 O ATOM 186 CB ALA A 14 2.890 4.725 -14.304 1.00 24.31 C ATOM 0 H ALA A 14 4.416 5.952 -12.728 1.00 32.52 H new ATOM 0 HA ALA A 14 3.186 6.607 -15.274 1.00 55.43 H new ATOM 0 HB1 ALA A 14 2.033 4.449 -14.919 1.00 24.31 H new ATOM 0 HB2 ALA A 14 3.796 4.296 -14.731 1.00 24.31 H new ATOM 0 HB3 ALA A 14 2.749 4.344 -13.293 1.00 24.31 H new ATOM 192 N LEU A 15 1.542 6.820 -12.426 1.00 64.52 N ATOM 193 CA LEU A 15 0.350 7.382 -11.801 1.00 23.21 C ATOM 194 C LEU A 15 0.190 8.855 -12.161 1.00 53.25 C ATOM 195 O LEU A 15 -0.898 9.299 -12.531 1.00 45.00 O ATOM 196 CB LEU A 15 0.424 7.222 -10.281 1.00 72.03 C ATOM 197 CG LEU A 15 -0.070 5.887 -9.722 1.00 54.41 C ATOM 198 CD1 LEU A 15 0.234 5.786 -8.236 1.00 24.23 C ATOM 199 CD2 LEU A 15 -1.562 5.723 -9.975 1.00 61.31 C ATOM 0 H LEU A 15 2.202 6.399 -11.772 1.00 64.52 H new ATOM 0 HA LEU A 15 -0.518 6.839 -12.176 1.00 23.21 H new ATOM 0 HB2 LEU A 15 1.460 7.362 -9.971 1.00 72.03 H new ATOM 0 HB3 LEU A 15 -0.157 8.022 -9.823 1.00 72.03 H new ATOM 0 HG LEU A 15 0.456 5.082 -10.235 1.00 54.41 H new ATOM 0 HD11 LEU A 15 -0.125 4.830 -7.855 1.00 24.23 H new ATOM 0 HD12 LEU A 15 1.310 5.858 -8.079 1.00 24.23 H new ATOM 0 HD13 LEU A 15 -0.265 6.597 -7.706 1.00 24.23 H new ATOM 0 HD21 LEU A 15 -1.897 4.768 -9.571 1.00 61.31 H new ATOM 0 HD22 LEU A 15 -2.105 6.533 -9.488 1.00 61.31 H new ATOM 0 HD23 LEU A 15 -1.754 5.751 -11.048 1.00 61.31 H new ATOM 211 N ARG A 16 1.280 9.608 -12.053 1.00 72.34 N ATOM 212 CA ARG A 16 1.260 11.031 -12.369 1.00 60.11 C ATOM 213 C ARG A 16 1.215 11.253 -13.878 1.00 60.51 C ATOM 214 O ARG A 16 0.638 12.230 -14.355 1.00 72.31 O ATOM 215 CB ARG A 16 2.489 11.723 -11.778 1.00 2.34 C ATOM 216 CG ARG A 16 2.655 11.498 -10.284 1.00 23.14 C ATOM 217 CD ARG A 16 2.165 12.693 -9.482 1.00 13.31 C ATOM 218 NE ARG A 16 2.863 12.820 -8.206 1.00 3.43 N ATOM 219 CZ ARG A 16 4.072 13.356 -8.080 1.00 2.21 C ATOM 220 NH1 ARG A 16 4.713 13.813 -9.147 1.00 60.31 N ATOM 221 NH2 ARG A 16 4.642 13.437 -6.884 1.00 64.34 N ATOM 0 H ARG A 16 2.188 9.256 -11.749 1.00 72.34 H new ATOM 0 HA ARG A 16 0.361 11.462 -11.929 1.00 60.11 H new ATOM 0 HB2 ARG A 16 3.380 11.363 -12.292 1.00 2.34 H new ATOM 0 HB3 ARG A 16 2.420 12.794 -11.970 1.00 2.34 H new ATOM 0 HG2 ARG A 16 2.102 10.607 -9.986 1.00 23.14 H new ATOM 0 HG3 ARG A 16 3.705 11.312 -10.058 1.00 23.14 H new ATOM 0 HD2 ARG A 16 2.307 13.603 -10.065 1.00 13.31 H new ATOM 0 HD3 ARG A 16 1.095 12.594 -9.301 1.00 13.31 H new ATOM 0 HE ARG A 16 2.397 12.479 -7.365 1.00 3.43 H new ATOM 0 HH11 ARG A 16 4.278 13.754 -10.068 1.00 60.31 H new ATOM 0 HH12 ARG A 16 5.641 14.224 -9.047 1.00 60.31 H new ATOM 0 HH21 ARG A 16 4.152 13.088 -6.061 1.00 64.34 H new ATOM 0 HH22 ARG A 16 5.570 13.849 -6.788 1.00 64.34 H new ATOM 235 N ASP A 17 1.828 10.340 -14.623 1.00 61.43 N ATOM 236 CA ASP A 17 1.858 10.435 -16.078 1.00 72.42 C ATOM 237 C ASP A 17 0.451 10.614 -16.640 1.00 31.50 C ATOM 238 O ASP A 17 0.241 11.376 -17.584 1.00 41.11 O ATOM 239 CB ASP A 17 2.505 9.186 -16.679 1.00 63.10 C ATOM 240 CG ASP A 17 2.138 8.988 -18.136 1.00 60.45 C ATOM 241 OD1 ASP A 17 2.175 9.977 -18.898 1.00 12.00 O ATOM 242 OD2 ASP A 17 1.815 7.843 -18.516 1.00 34.21 O ATOM 0 H ASP A 17 2.311 9.526 -14.244 1.00 61.43 H new ATOM 0 HA ASP A 17 2.452 11.308 -16.348 1.00 72.42 H new ATOM 0 HB2 ASP A 17 3.588 9.262 -16.587 1.00 63.10 H new ATOM 0 HB3 ASP A 17 2.197 8.310 -16.108 1.00 63.10 H new ATOM 247 N CYS A 18 -0.509 9.906 -16.055 1.00 24.35 N ATOM 248 CA CYS A 18 -1.896 9.985 -16.498 1.00 30.21 C ATOM 249 C CYS A 18 -2.847 10.014 -15.306 1.00 21.33 C ATOM 250 O CYS A 18 -3.910 9.395 -15.334 1.00 33.05 O ATOM 251 CB CYS A 18 -2.232 8.800 -17.405 1.00 3.11 C ATOM 252 SG CYS A 18 -1.336 8.796 -18.976 1.00 14.22 S ATOM 0 H CYS A 18 -0.352 9.271 -15.273 1.00 24.35 H new ATOM 0 HA CYS A 18 -2.019 10.910 -17.061 1.00 30.21 H new ATOM 0 HB2 CYS A 18 -2.013 7.875 -16.872 1.00 3.11 H new ATOM 0 HB3 CYS A 18 -3.303 8.805 -17.610 1.00 3.11 H new ATOM 0 HG CYS A 18 -0.517 9.805 -19.011 1.00 14.22 H new ATOM 258 N GLN A 19 -2.455 10.735 -14.260 1.00 72.23 N ATOM 259 CA GLN A 19 -3.272 10.842 -13.057 1.00 73.33 C ATOM 260 C GLN A 19 -4.691 11.284 -13.400 1.00 70.25 C ATOM 261 O GLN A 19 -5.658 10.826 -12.793 1.00 72.31 O ATOM 262 CB GLN A 19 -2.642 11.829 -12.073 1.00 61.42 C ATOM 263 CG GLN A 19 -2.158 13.113 -12.726 1.00 2.41 C ATOM 264 CD GLN A 19 -1.884 14.212 -11.718 1.00 43.44 C ATOM 265 OE1 GLN A 19 -2.687 15.130 -11.550 1.00 1.42 O ATOM 266 NE2 GLN A 19 -0.744 14.125 -11.042 1.00 35.13 N ATOM 0 H GLN A 19 -1.577 11.253 -14.222 1.00 72.23 H new ATOM 0 HA GLN A 19 -3.320 9.857 -12.592 1.00 73.33 H new ATOM 0 HB2 GLN A 19 -3.372 12.076 -11.302 1.00 61.42 H new ATOM 0 HB3 GLN A 19 -1.802 11.346 -11.574 1.00 61.42 H new ATOM 0 HG2 GLN A 19 -1.249 12.908 -13.291 1.00 2.41 H new ATOM 0 HG3 GLN A 19 -2.906 13.458 -13.440 1.00 2.41 H new ATOM 0 HE21 GLN A 19 -0.108 13.347 -11.213 1.00 35.13 H new ATOM 0 HE22 GLN A 19 -0.505 14.837 -10.351 1.00 35.13 H new ATOM 275 N ALA A 20 -4.807 12.177 -14.378 1.00 11.25 N ATOM 276 CA ALA A 20 -6.108 12.680 -14.802 1.00 63.14 C ATOM 277 C ALA A 20 -7.052 11.534 -15.152 1.00 4.34 C ATOM 278 O ALA A 20 -6.627 10.432 -15.500 1.00 51.41 O ATOM 279 CB ALA A 20 -5.949 13.616 -15.991 1.00 1.51 C ATOM 0 H ALA A 20 -4.016 12.567 -14.891 1.00 11.25 H new ATOM 0 HA ALA A 20 -6.544 13.235 -13.971 1.00 63.14 H new ATOM 0 HB1 ALA A 20 -6.928 13.984 -16.298 1.00 1.51 H new ATOM 0 HB2 ALA A 20 -5.316 14.458 -15.709 1.00 1.51 H new ATOM 0 HB3 ALA A 20 -5.489 13.077 -16.819 1.00 1.51 H new ATOM 285 N PRO A 21 -8.363 11.797 -15.056 1.00 54.33 N ATOM 286 CA PRO A 21 -9.395 10.800 -15.358 1.00 3.20 C ATOM 287 C PRO A 21 -9.468 10.474 -16.846 1.00 14.42 C ATOM 288 O PRO A 21 -9.167 11.317 -17.691 1.00 52.21 O ATOM 289 CB PRO A 21 -10.688 11.475 -14.894 1.00 4.53 C ATOM 290 CG PRO A 21 -10.401 12.935 -14.971 1.00 13.41 C ATOM 291 CD PRO A 21 -8.941 13.089 -14.647 1.00 62.31 C ATOM 0 HA PRO A 21 -9.197 9.847 -14.868 1.00 3.20 H new ATOM 0 HB2 PRO A 21 -11.528 11.202 -15.533 1.00 4.53 H new ATOM 0 HB3 PRO A 21 -10.949 11.176 -13.879 1.00 4.53 H new ATOM 0 HG2 PRO A 21 -10.623 13.324 -15.965 1.00 13.41 H new ATOM 0 HG3 PRO A 21 -11.018 13.491 -14.265 1.00 13.41 H new ATOM 0 HD2 PRO A 21 -8.494 13.920 -15.192 1.00 62.31 H new ATOM 0 HD3 PRO A 21 -8.783 13.282 -13.586 1.00 62.31 H new ATOM 299 N ASP A 22 -9.871 9.248 -17.159 1.00 30.23 N ATOM 300 CA ASP A 22 -9.986 8.811 -18.545 1.00 41.24 C ATOM 301 C ASP A 22 -8.775 9.258 -19.358 1.00 42.50 C ATOM 302 O ASP A 22 -8.889 9.561 -20.546 1.00 30.42 O ATOM 303 CB ASP A 22 -11.268 9.363 -19.172 1.00 23.34 C ATOM 304 CG ASP A 22 -11.215 10.865 -19.371 1.00 62.42 C ATOM 305 OD1 ASP A 22 -11.619 11.600 -18.447 1.00 15.10 O ATOM 306 OD2 ASP A 22 -10.770 11.305 -20.452 1.00 65.51 O ATOM 0 H ASP A 22 -10.124 8.539 -16.471 1.00 30.23 H new ATOM 0 HA ASP A 22 -10.026 7.722 -18.554 1.00 41.24 H new ATOM 0 HB2 ASP A 22 -11.437 8.878 -20.133 1.00 23.34 H new ATOM 0 HB3 ASP A 22 -12.117 9.113 -18.535 1.00 23.34 H new ATOM 311 N SER A 23 -7.615 9.299 -18.709 1.00 54.31 N ATOM 312 CA SER A 23 -6.384 9.715 -19.370 1.00 63.41 C ATOM 313 C SER A 23 -5.417 8.542 -19.504 1.00 31.10 C ATOM 314 O SER A 23 -4.438 8.611 -20.247 1.00 2.30 O ATOM 315 CB SER A 23 -5.720 10.851 -18.590 1.00 43.13 C ATOM 316 OG SER A 23 -4.989 10.351 -17.484 1.00 1.42 O ATOM 0 H SER A 23 -7.503 9.049 -17.726 1.00 54.31 H new ATOM 0 HA SER A 23 -6.639 10.070 -20.369 1.00 63.41 H new ATOM 0 HB2 SER A 23 -5.053 11.408 -19.249 1.00 43.13 H new ATOM 0 HB3 SER A 23 -6.480 11.550 -18.241 1.00 43.13 H new ATOM 0 HG SER A 23 -5.612 10.038 -16.795 1.00 1.42 H new ATOM 322 N PHE A 24 -5.700 7.465 -18.779 1.00 24.31 N ATOM 323 CA PHE A 24 -4.856 6.276 -18.815 1.00 23.02 C ATOM 324 C PHE A 24 -5.607 5.094 -19.420 1.00 63.24 C ATOM 325 O PHE A 24 -6.737 5.236 -19.887 1.00 61.20 O ATOM 326 CB PHE A 24 -4.376 5.922 -17.405 1.00 52.34 C ATOM 327 CG PHE A 24 -5.488 5.825 -16.401 1.00 14.44 C ATOM 328 CD1 PHE A 24 -5.970 6.961 -15.769 1.00 23.32 C ATOM 329 CD2 PHE A 24 -6.053 4.599 -16.088 1.00 41.23 C ATOM 330 CE1 PHE A 24 -6.992 6.874 -14.843 1.00 55.12 C ATOM 331 CE2 PHE A 24 -7.076 4.506 -15.164 1.00 12.42 C ATOM 332 CZ PHE A 24 -7.547 5.646 -14.541 1.00 72.33 C ATOM 0 H PHE A 24 -6.507 7.391 -18.160 1.00 24.31 H new ATOM 0 HA PHE A 24 -3.991 6.494 -19.442 1.00 23.02 H new ATOM 0 HB2 PHE A 24 -3.844 4.971 -17.439 1.00 52.34 H new ATOM 0 HB3 PHE A 24 -3.662 6.676 -17.073 1.00 52.34 H new ATOM 0 HD1 PHE A 24 -5.542 7.925 -16.003 1.00 23.32 H new ATOM 0 HD2 PHE A 24 -5.689 3.705 -16.572 1.00 41.23 H new ATOM 0 HE1 PHE A 24 -7.357 7.766 -14.356 1.00 55.12 H new ATOM 0 HE2 PHE A 24 -7.507 3.544 -14.929 1.00 12.42 H new ATOM 0 HZ PHE A 24 -8.348 5.577 -13.819 1.00 72.33 H new ATOM 342 N SER A 25 -4.970 3.927 -19.409 1.00 45.34 N ATOM 343 CA SER A 25 -5.574 2.721 -19.961 1.00 75.32 C ATOM 344 C SER A 25 -4.968 1.471 -19.330 1.00 44.30 C ATOM 345 O SER A 25 -3.889 1.505 -18.738 1.00 3.31 O ATOM 346 CB SER A 25 -5.389 2.680 -21.479 1.00 53.33 C ATOM 347 OG SER A 25 -6.619 2.899 -22.149 1.00 43.41 O ATOM 0 H SER A 25 -4.035 3.792 -19.024 1.00 45.34 H new ATOM 0 HA SER A 25 -6.640 2.742 -19.733 1.00 75.32 H new ATOM 0 HB2 SER A 25 -4.667 3.438 -21.781 1.00 53.33 H new ATOM 0 HB3 SER A 25 -4.978 1.714 -21.772 1.00 53.33 H new ATOM 0 HG SER A 25 -6.474 2.870 -23.118 1.00 43.41 H new ATOM 353 N PRO A 26 -5.677 0.340 -19.459 1.00 11.33 N ATOM 354 CA PRO A 26 -5.229 -0.942 -18.908 1.00 63.34 C ATOM 355 C PRO A 26 -4.019 -1.501 -19.651 1.00 14.32 C ATOM 356 O PRO A 26 -3.343 -2.408 -19.164 1.00 54.55 O ATOM 357 CB PRO A 26 -6.443 -1.855 -19.101 1.00 45.22 C ATOM 358 CG PRO A 26 -7.186 -1.259 -20.246 1.00 53.13 C ATOM 359 CD PRO A 26 -6.971 0.226 -20.152 1.00 13.32 C ATOM 0 HA PRO A 26 -4.908 -0.850 -17.870 1.00 63.34 H new ATOM 0 HB2 PRO A 26 -6.138 -2.879 -19.317 1.00 45.22 H new ATOM 0 HB3 PRO A 26 -7.060 -1.889 -18.203 1.00 45.22 H new ATOM 0 HG2 PRO A 26 -6.817 -1.647 -21.195 1.00 53.13 H new ATOM 0 HG3 PRO A 26 -8.247 -1.504 -20.193 1.00 53.13 H new ATOM 0 HD2 PRO A 26 -6.941 0.691 -21.137 1.00 13.32 H new ATOM 0 HD3 PRO A 26 -7.770 0.713 -19.594 1.00 13.32 H new ATOM 367 N LYS A 27 -3.751 -0.953 -20.831 1.00 73.34 N ATOM 368 CA LYS A 27 -2.622 -1.395 -21.641 1.00 50.23 C ATOM 369 C LYS A 27 -1.639 -0.252 -21.873 1.00 2.01 C ATOM 370 O LYS A 27 -0.881 -0.258 -22.843 1.00 25.30 O ATOM 371 CB LYS A 27 -3.113 -1.939 -22.985 1.00 33.25 C ATOM 372 CG LYS A 27 -3.475 -0.855 -23.985 1.00 15.15 C ATOM 373 CD LYS A 27 -4.743 -1.201 -24.747 1.00 55.51 C ATOM 374 CE LYS A 27 -5.981 -1.025 -23.880 1.00 3.10 C ATOM 375 NZ LYS A 27 -7.191 -1.617 -24.514 1.00 20.30 N ATOM 0 H LYS A 27 -4.300 -0.202 -21.248 1.00 73.34 H new ATOM 0 HA LYS A 27 -2.108 -2.190 -21.100 1.00 50.23 H new ATOM 0 HB2 LYS A 27 -2.339 -2.574 -23.415 1.00 33.25 H new ATOM 0 HB3 LYS A 27 -3.985 -2.570 -22.815 1.00 33.25 H new ATOM 0 HG2 LYS A 27 -3.610 0.092 -23.463 1.00 15.15 H new ATOM 0 HG3 LYS A 27 -2.653 -0.718 -24.688 1.00 15.15 H new ATOM 0 HD2 LYS A 27 -4.823 -0.567 -25.630 1.00 55.51 H new ATOM 0 HD3 LYS A 27 -4.688 -2.231 -25.099 1.00 55.51 H new ATOM 0 HE2 LYS A 27 -5.814 -1.492 -22.910 1.00 3.10 H new ATOM 0 HE3 LYS A 27 -6.149 0.036 -23.698 1.00 3.10 H new ATOM 0 HZ1 LYS A 27 -8.013 -1.476 -23.892 1.00 20.30 H new ATOM 0 HZ2 LYS A 27 -7.366 -1.154 -25.429 1.00 20.30 H new ATOM 0 HZ3 LYS A 27 -7.041 -2.635 -24.665 1.00 20.30 H new ATOM 389 N LYS A 28 -1.655 0.728 -20.976 1.00 34.24 N ATOM 390 CA LYS A 28 -0.764 1.877 -21.080 1.00 23.31 C ATOM 391 C LYS A 28 -0.080 2.158 -19.746 1.00 22.53 C ATOM 392 O LYS A 28 0.573 3.187 -19.576 1.00 44.32 O ATOM 393 CB LYS A 28 -1.542 3.113 -21.536 1.00 71.22 C ATOM 394 CG LYS A 28 -1.922 3.084 -23.006 1.00 74.44 C ATOM 395 CD LYS A 28 -0.739 3.427 -23.895 1.00 61.04 C ATOM 396 CE LYS A 28 -1.176 3.690 -25.328 1.00 61.03 C ATOM 397 NZ LYS A 28 -1.851 2.506 -25.928 1.00 53.14 N ATOM 0 H LYS A 28 -2.277 0.749 -20.168 1.00 34.24 H new ATOM 0 HA LYS A 28 0.002 1.644 -21.820 1.00 23.31 H new ATOM 0 HB2 LYS A 28 -2.448 3.203 -20.937 1.00 71.22 H new ATOM 0 HB3 LYS A 28 -0.942 4.002 -21.342 1.00 71.22 H new ATOM 0 HG2 LYS A 28 -2.299 2.095 -23.266 1.00 74.44 H new ATOM 0 HG3 LYS A 28 -2.732 3.791 -23.187 1.00 74.44 H new ATOM 0 HD2 LYS A 28 -0.230 4.307 -23.502 1.00 61.04 H new ATOM 0 HD3 LYS A 28 -0.020 2.608 -23.877 1.00 61.04 H new ATOM 0 HE2 LYS A 28 -1.853 4.544 -25.350 1.00 61.03 H new ATOM 0 HE3 LYS A 28 -0.307 3.956 -25.930 1.00 61.03 H new ATOM 0 HZ1 LYS A 28 -2.042 2.688 -26.934 1.00 53.14 H new ATOM 0 HZ2 LYS A 28 -1.235 1.673 -25.838 1.00 53.14 H new ATOM 0 HZ3 LYS A 28 -2.748 2.329 -25.432 1.00 53.14 H new ATOM 411 N PHE A 29 -0.233 1.235 -18.802 1.00 31.14 N ATOM 412 CA PHE A 29 0.370 1.383 -17.482 1.00 43.34 C ATOM 413 C PHE A 29 1.562 0.444 -17.320 1.00 73.24 C ATOM 414 O PHE A 29 2.525 0.760 -16.622 1.00 63.31 O ATOM 415 CB PHE A 29 -0.665 1.105 -16.390 1.00 41.35 C ATOM 416 CG PHE A 29 -0.753 2.192 -15.357 1.00 24.40 C ATOM 417 CD1 PHE A 29 0.229 2.326 -14.389 1.00 22.55 C ATOM 418 CD2 PHE A 29 -1.817 3.079 -15.354 1.00 31.54 C ATOM 419 CE1 PHE A 29 0.152 3.324 -13.436 1.00 52.42 C ATOM 420 CE2 PHE A 29 -1.900 4.079 -14.404 1.00 44.41 C ATOM 421 CZ PHE A 29 -0.915 4.202 -13.444 1.00 23.25 C ATOM 0 H PHE A 29 -0.769 0.376 -18.926 1.00 31.14 H new ATOM 0 HA PHE A 29 0.723 2.410 -17.385 1.00 43.34 H new ATOM 0 HB2 PHE A 29 -1.643 0.974 -16.853 1.00 41.35 H new ATOM 0 HB3 PHE A 29 -0.417 0.165 -15.897 1.00 41.35 H new ATOM 0 HD1 PHE A 29 1.065 1.642 -14.379 1.00 22.55 H new ATOM 0 HD2 PHE A 29 -2.590 2.988 -16.102 1.00 31.54 H new ATOM 0 HE1 PHE A 29 0.924 3.417 -12.687 1.00 52.42 H new ATOM 0 HE2 PHE A 29 -2.735 4.764 -14.412 1.00 44.41 H new ATOM 0 HZ PHE A 29 -0.978 4.983 -12.701 1.00 23.25 H new ATOM 431 N PHE A 30 1.488 -0.713 -17.970 1.00 41.15 N ATOM 432 CA PHE A 30 2.559 -1.700 -17.898 1.00 71.11 C ATOM 433 C PHE A 30 3.805 -1.205 -18.625 1.00 45.44 C ATOM 434 O PHE A 30 4.880 -1.793 -18.508 1.00 33.33 O ATOM 435 CB PHE A 30 2.098 -3.029 -18.500 1.00 72.01 C ATOM 436 CG PHE A 30 2.113 -3.044 -20.002 1.00 32.00 C ATOM 437 CD1 PHE A 30 0.999 -2.645 -20.723 1.00 40.21 C ATOM 438 CD2 PHE A 30 3.241 -3.457 -20.693 1.00 12.24 C ATOM 439 CE1 PHE A 30 1.010 -2.658 -22.105 1.00 61.50 C ATOM 440 CE2 PHE A 30 3.258 -3.472 -22.075 1.00 32.23 C ATOM 441 CZ PHE A 30 2.141 -3.071 -22.782 1.00 22.53 C ATOM 0 H PHE A 30 0.698 -0.990 -18.552 1.00 41.15 H new ATOM 0 HA PHE A 30 2.809 -1.852 -16.848 1.00 71.11 H new ATOM 0 HB2 PHE A 30 2.740 -3.828 -18.130 1.00 72.01 H new ATOM 0 HB3 PHE A 30 1.088 -3.245 -18.153 1.00 72.01 H new ATOM 0 HD1 PHE A 30 0.112 -2.320 -20.199 1.00 40.21 H new ATOM 0 HD2 PHE A 30 4.117 -3.771 -20.145 1.00 12.24 H new ATOM 0 HE1 PHE A 30 0.135 -2.345 -22.655 1.00 61.50 H new ATOM 0 HE2 PHE A 30 4.143 -3.797 -22.601 1.00 32.23 H new ATOM 0 HZ PHE A 30 2.152 -3.080 -23.862 1.00 22.53 H new ATOM 451 N GLN A 31 3.652 -0.119 -19.377 1.00 64.21 N ATOM 452 CA GLN A 31 4.765 0.455 -20.125 1.00 20.33 C ATOM 453 C GLN A 31 5.632 1.329 -19.225 1.00 12.50 C ATOM 454 O GLN A 31 6.859 1.312 -19.322 1.00 22.42 O ATOM 455 CB GLN A 31 4.244 1.276 -21.306 1.00 20.35 C ATOM 456 CG GLN A 31 2.988 0.701 -21.939 1.00 74.52 C ATOM 457 CD GLN A 31 2.563 1.456 -23.183 1.00 62.22 C ATOM 458 OE1 GLN A 31 2.301 0.858 -24.227 1.00 73.02 O ATOM 459 NE2 GLN A 31 2.493 2.778 -23.078 1.00 62.25 N ATOM 0 H GLN A 31 2.769 0.380 -19.484 1.00 64.21 H new ATOM 0 HA GLN A 31 5.377 -0.364 -20.503 1.00 20.33 H new ATOM 0 HB2 GLN A 31 4.039 2.292 -20.969 1.00 20.35 H new ATOM 0 HB3 GLN A 31 5.025 1.343 -22.064 1.00 20.35 H new ATOM 0 HG2 GLN A 31 3.160 -0.345 -22.194 1.00 74.52 H new ATOM 0 HG3 GLN A 31 2.177 0.722 -21.211 1.00 74.52 H new ATOM 0 HE21 GLN A 31 2.719 3.232 -22.193 1.00 62.25 H new ATOM 0 HE22 GLN A 31 2.213 3.339 -23.882 1.00 62.25 H new ATOM 468 N ILE A 32 4.986 2.094 -18.351 1.00 75.21 N ATOM 469 CA ILE A 32 5.698 2.975 -17.434 1.00 31.31 C ATOM 470 C ILE A 32 6.082 2.241 -16.154 1.00 31.34 C ATOM 471 O ILE A 32 7.098 2.548 -15.531 1.00 22.02 O ATOM 472 CB ILE A 32 4.854 4.210 -17.070 1.00 53.44 C ATOM 473 CG1 ILE A 32 4.357 4.907 -18.339 1.00 34.30 C ATOM 474 CG2 ILE A 32 5.664 5.172 -16.215 1.00 2.43 C ATOM 475 CD1 ILE A 32 2.882 4.697 -18.605 1.00 65.44 C ATOM 0 H ILE A 32 3.971 2.121 -18.259 1.00 75.21 H new ATOM 0 HA ILE A 32 6.602 3.302 -17.948 1.00 31.31 H new ATOM 0 HB ILE A 32 3.988 3.883 -16.494 1.00 53.44 H new ATOM 0 HG12 ILE A 32 4.555 5.976 -18.258 1.00 34.30 H new ATOM 0 HG13 ILE A 32 4.928 4.541 -19.192 1.00 34.30 H new ATOM 0 HG21 ILE A 32 5.053 6.040 -15.966 1.00 2.43 H new ATOM 0 HG22 ILE A 32 5.974 4.671 -15.298 1.00 2.43 H new ATOM 0 HG23 ILE A 32 6.546 5.495 -16.768 1.00 2.43 H new ATOM 0 HD11 ILE A 32 2.599 5.219 -19.519 1.00 65.44 H new ATOM 0 HD12 ILE A 32 2.681 3.632 -18.718 1.00 65.44 H new ATOM 0 HD13 ILE A 32 2.302 5.089 -17.769 1.00 65.44 H new ATOM 487 N SER A 33 5.263 1.268 -15.767 1.00 73.23 N ATOM 488 CA SER A 33 5.515 0.490 -14.560 1.00 2.43 C ATOM 489 C SER A 33 6.455 -0.675 -14.851 1.00 24.42 C ATOM 490 O SER A 33 7.610 -0.678 -14.425 1.00 53.22 O ATOM 491 CB SER A 33 4.200 -0.033 -13.980 1.00 74.14 C ATOM 492 OG SER A 33 3.530 -0.868 -14.909 1.00 71.10 O ATOM 0 H SER A 33 4.419 1.000 -16.272 1.00 73.23 H new ATOM 0 HA SER A 33 5.991 1.144 -13.829 1.00 2.43 H new ATOM 0 HB2 SER A 33 4.398 -0.589 -13.064 1.00 74.14 H new ATOM 0 HB3 SER A 33 3.558 0.806 -13.711 1.00 74.14 H new ATOM 0 HG SER A 33 3.100 -0.315 -15.595 1.00 71.10 H new ATOM 498 N GLY A 34 5.951 -1.666 -15.580 1.00 63.32 N ATOM 499 CA GLY A 34 6.758 -2.825 -15.916 1.00 42.23 C ATOM 500 C GLY A 34 6.123 -4.125 -15.464 1.00 2.42 C ATOM 501 O GLY A 34 6.813 -5.029 -14.994 1.00 34.22 O ATOM 0 H GLY A 34 4.998 -1.687 -15.944 1.00 63.32 H new ATOM 0 HA2 GLY A 34 6.913 -2.856 -16.995 1.00 42.23 H new ATOM 0 HA3 GLY A 34 7.741 -2.725 -15.456 1.00 42.23 H new ATOM 505 N MET A 35 4.805 -4.218 -15.604 1.00 51.30 N ATOM 506 CA MET A 35 4.077 -5.417 -15.205 1.00 41.23 C ATOM 507 C MET A 35 4.294 -6.544 -16.210 1.00 54.45 C ATOM 508 O MET A 35 4.613 -7.671 -15.834 1.00 22.11 O ATOM 509 CB MET A 35 2.583 -5.113 -15.076 1.00 22.22 C ATOM 510 CG MET A 35 2.290 -3.785 -14.397 1.00 34.20 C ATOM 511 SD MET A 35 0.523 -3.478 -14.207 1.00 1.11 S ATOM 512 CE MET A 35 0.059 -4.827 -13.124 1.00 4.24 C ATOM 0 H MET A 35 4.219 -3.478 -15.991 1.00 51.30 H new ATOM 0 HA MET A 35 4.460 -5.739 -14.237 1.00 41.23 H new ATOM 0 HB2 MET A 35 2.134 -5.111 -16.069 1.00 22.22 H new ATOM 0 HB3 MET A 35 2.105 -5.914 -14.512 1.00 22.22 H new ATOM 0 HG2 MET A 35 2.765 -3.770 -13.416 1.00 34.20 H new ATOM 0 HG3 MET A 35 2.735 -2.978 -14.979 1.00 34.20 H new ATOM 0 HE1 MET A 35 -0.885 -4.591 -12.633 1.00 4.24 H new ATOM 0 HE2 MET A 35 -0.054 -5.740 -13.708 1.00 4.24 H new ATOM 0 HE3 MET A 35 0.833 -4.972 -12.371 1.00 4.24 H new ATOM 522 N SER A 36 4.117 -6.231 -17.490 1.00 60.03 N ATOM 523 CA SER A 36 4.289 -7.219 -18.549 1.00 42.32 C ATOM 524 C SER A 36 5.653 -7.895 -18.445 1.00 33.14 C ATOM 525 O SER A 36 5.802 -9.072 -18.774 1.00 23.01 O ATOM 526 CB SER A 36 4.139 -6.558 -19.921 1.00 34.40 C ATOM 527 OG SER A 36 5.269 -5.761 -20.230 1.00 34.01 O ATOM 0 H SER A 36 3.855 -5.302 -17.819 1.00 60.03 H new ATOM 0 HA SER A 36 3.516 -7.979 -18.432 1.00 42.32 H new ATOM 0 HB2 SER A 36 4.011 -7.325 -20.685 1.00 34.40 H new ATOM 0 HB3 SER A 36 3.240 -5.941 -19.935 1.00 34.40 H new ATOM 0 HG SER A 36 5.019 -5.081 -20.890 1.00 34.01 H new ATOM 533 N LYS A 37 6.646 -7.142 -17.984 1.00 32.22 N ATOM 534 CA LYS A 37 7.998 -7.667 -17.834 1.00 10.55 C ATOM 535 C LYS A 37 8.034 -8.791 -16.804 1.00 61.50 C ATOM 536 O LYS A 37 8.997 -9.556 -16.737 1.00 41.35 O ATOM 537 CB LYS A 37 8.957 -6.549 -17.417 1.00 61.04 C ATOM 538 CG LYS A 37 8.745 -5.251 -18.177 1.00 52.00 C ATOM 539 CD LYS A 37 8.707 -5.483 -19.678 1.00 61.22 C ATOM 540 CE LYS A 37 9.992 -6.128 -20.175 1.00 31.11 C ATOM 541 NZ LYS A 37 10.010 -6.257 -21.658 1.00 44.34 N ATOM 0 H LYS A 37 6.540 -6.166 -17.708 1.00 32.22 H new ATOM 0 HA LYS A 37 8.314 -8.069 -18.797 1.00 10.55 H new ATOM 0 HB2 LYS A 37 8.838 -6.359 -16.350 1.00 61.04 H new ATOM 0 HB3 LYS A 37 9.982 -6.886 -17.569 1.00 61.04 H new ATOM 0 HG2 LYS A 37 7.812 -4.789 -17.856 1.00 52.00 H new ATOM 0 HG3 LYS A 37 9.546 -4.552 -17.936 1.00 52.00 H new ATOM 0 HD2 LYS A 37 7.859 -6.120 -19.927 1.00 61.22 H new ATOM 0 HD3 LYS A 37 8.554 -4.533 -20.190 1.00 61.22 H new ATOM 0 HE2 LYS A 37 10.846 -5.532 -19.852 1.00 31.11 H new ATOM 0 HE3 LYS A 37 10.102 -7.114 -19.723 1.00 31.11 H new ATOM 0 HZ1 LYS A 37 10.902 -6.701 -21.957 1.00 44.34 H new ATOM 0 HZ2 LYS A 37 9.210 -6.846 -21.965 1.00 44.34 H new ATOM 0 HZ3 LYS A 37 9.931 -5.314 -22.089 1.00 44.34 H new ATOM 555 N LYS A 38 6.978 -8.889 -16.003 1.00 42.43 N ATOM 556 CA LYS A 38 6.887 -9.922 -14.978 1.00 50.35 C ATOM 557 C LYS A 38 6.145 -11.146 -15.505 1.00 21.22 C ATOM 558 O LYS A 38 5.468 -11.080 -16.530 1.00 54.24 O ATOM 559 CB LYS A 38 6.177 -9.377 -13.737 1.00 51.43 C ATOM 560 CG LYS A 38 6.676 -8.009 -13.302 1.00 73.44 C ATOM 561 CD LYS A 38 8.097 -8.078 -12.769 1.00 60.13 C ATOM 562 CE LYS A 38 9.016 -7.117 -13.507 1.00 62.05 C ATOM 563 NZ LYS A 38 10.452 -7.436 -13.278 1.00 24.33 N ATOM 0 H LYS A 38 6.172 -8.265 -16.044 1.00 42.43 H new ATOM 0 HA LYS A 38 7.900 -10.221 -14.707 1.00 50.35 H new ATOM 0 HB2 LYS A 38 5.107 -9.317 -13.938 1.00 51.43 H new ATOM 0 HB3 LYS A 38 6.308 -10.081 -12.915 1.00 51.43 H new ATOM 0 HG2 LYS A 38 6.636 -7.321 -14.146 1.00 73.44 H new ATOM 0 HG3 LYS A 38 6.017 -7.608 -12.532 1.00 73.44 H new ATOM 0 HD2 LYS A 38 8.100 -7.841 -11.705 1.00 60.13 H new ATOM 0 HD3 LYS A 38 8.476 -9.095 -12.870 1.00 60.13 H new ATOM 0 HE2 LYS A 38 8.801 -7.157 -14.575 1.00 62.05 H new ATOM 0 HE3 LYS A 38 8.814 -6.097 -13.179 1.00 62.05 H new ATOM 0 HZ1 LYS A 38 11.045 -6.758 -13.798 1.00 24.33 H new ATOM 0 HZ2 LYS A 38 10.664 -7.373 -12.262 1.00 24.33 H new ATOM 0 HZ3 LYS A 38 10.651 -8.400 -13.614 1.00 24.33 H new ATOM 577 N SER A 39 6.277 -12.263 -14.795 1.00 52.55 N ATOM 578 CA SER A 39 5.621 -13.503 -15.193 1.00 15.41 C ATOM 579 C SER A 39 4.122 -13.439 -14.912 1.00 4.34 C ATOM 580 O SER A 39 3.609 -12.420 -14.450 1.00 2.43 O ATOM 581 CB SER A 39 6.239 -14.691 -14.455 1.00 23.14 C ATOM 582 OG SER A 39 6.017 -15.901 -15.159 1.00 13.34 O ATOM 0 H SER A 39 6.832 -12.334 -13.942 1.00 52.55 H new ATOM 0 HA SER A 39 5.767 -13.635 -16.265 1.00 15.41 H new ATOM 0 HB2 SER A 39 7.310 -14.529 -14.332 1.00 23.14 H new ATOM 0 HB3 SER A 39 5.811 -14.765 -13.455 1.00 23.14 H new ATOM 0 HG SER A 39 6.423 -16.645 -14.667 1.00 13.34 H new ATOM 588 N SER A 40 3.426 -14.535 -15.194 1.00 64.31 N ATOM 589 CA SER A 40 1.986 -14.604 -14.976 1.00 22.03 C ATOM 590 C SER A 40 1.673 -14.925 -13.517 1.00 54.25 C ATOM 591 O SER A 40 0.509 -15.045 -13.133 1.00 64.52 O ATOM 592 CB SER A 40 1.361 -15.661 -15.888 1.00 54.31 C ATOM 593 OG SER A 40 1.134 -16.871 -15.186 1.00 43.05 O ATOM 0 H SER A 40 3.836 -15.388 -15.574 1.00 64.31 H new ATOM 0 HA SER A 40 1.559 -13.630 -15.216 1.00 22.03 H new ATOM 0 HB2 SER A 40 0.419 -15.288 -16.290 1.00 54.31 H new ATOM 0 HB3 SER A 40 2.018 -15.848 -16.737 1.00 54.31 H new ATOM 0 HG SER A 40 0.186 -17.111 -15.246 1.00 43.05 H new ATOM 599 N SER A 41 2.719 -15.062 -12.710 1.00 4.31 N ATOM 600 CA SER A 41 2.557 -15.372 -11.294 1.00 64.44 C ATOM 601 C SER A 41 2.864 -14.152 -10.432 1.00 3.02 C ATOM 602 O SER A 41 2.293 -13.980 -9.356 1.00 35.54 O ATOM 603 CB SER A 41 3.470 -16.534 -10.898 1.00 25.13 C ATOM 604 OG SER A 41 3.096 -17.727 -11.564 1.00 21.40 O ATOM 0 H SER A 41 3.688 -14.963 -13.012 1.00 4.31 H new ATOM 0 HA SER A 41 1.519 -15.661 -11.127 1.00 64.44 H new ATOM 0 HB2 SER A 41 4.504 -16.287 -11.141 1.00 25.13 H new ATOM 0 HB3 SER A 41 3.423 -16.686 -9.820 1.00 25.13 H new ATOM 0 HG SER A 41 3.696 -18.454 -11.295 1.00 21.40 H new ATOM 610 N GLN A 42 3.771 -13.308 -10.913 1.00 40.23 N ATOM 611 CA GLN A 42 4.155 -12.104 -10.186 1.00 50.43 C ATOM 612 C GLN A 42 3.051 -11.054 -10.250 1.00 54.33 C ATOM 613 O GLN A 42 2.946 -10.193 -9.376 1.00 5.34 O ATOM 614 CB GLN A 42 5.454 -11.530 -10.756 1.00 75.44 C ATOM 615 CG GLN A 42 6.706 -12.097 -10.107 1.00 34.04 C ATOM 616 CD GLN A 42 7.959 -11.338 -10.495 1.00 62.43 C ATOM 617 OE1 GLN A 42 8.758 -11.810 -11.305 1.00 40.21 O ATOM 618 NE2 GLN A 42 8.138 -10.156 -9.919 1.00 5.33 N ATOM 0 H GLN A 42 4.253 -13.436 -11.803 1.00 40.23 H new ATOM 0 HA GLN A 42 4.313 -12.376 -9.142 1.00 50.43 H new ATOM 0 HB2 GLN A 42 5.489 -11.727 -11.827 1.00 75.44 H new ATOM 0 HB3 GLN A 42 5.449 -10.447 -10.631 1.00 75.44 H new ATOM 0 HG2 GLN A 42 6.592 -12.072 -9.023 1.00 34.04 H new ATOM 0 HG3 GLN A 42 6.817 -13.143 -10.392 1.00 34.04 H new ATOM 0 HE21 GLN A 42 7.450 -9.804 -9.253 1.00 5.33 H new ATOM 0 HE22 GLN A 42 8.963 -9.600 -10.142 1.00 5.33 H new ATOM 627 N LEU A 43 2.228 -11.130 -11.291 1.00 23.12 N ATOM 628 CA LEU A 43 1.131 -10.186 -11.470 1.00 12.24 C ATOM 629 C LEU A 43 -0.067 -10.573 -10.608 1.00 22.30 C ATOM 630 O LEU A 43 -0.940 -9.750 -10.333 1.00 73.24 O ATOM 631 CB LEU A 43 0.717 -10.127 -12.941 1.00 61.11 C ATOM 632 CG LEU A 43 1.852 -9.949 -13.951 1.00 34.23 C ATOM 633 CD1 LEU A 43 1.486 -10.586 -15.282 1.00 72.14 C ATOM 634 CD2 LEU A 43 2.176 -8.474 -14.134 1.00 52.22 C ATOM 0 H LEU A 43 2.300 -11.836 -12.024 1.00 23.12 H new ATOM 0 HA LEU A 43 1.478 -9.201 -11.157 1.00 12.24 H new ATOM 0 HB2 LEU A 43 0.182 -11.045 -13.184 1.00 61.11 H new ATOM 0 HB3 LEU A 43 0.013 -9.304 -13.067 1.00 61.11 H new ATOM 0 HG LEU A 43 2.740 -10.450 -13.564 1.00 34.23 H new ATOM 0 HD11 LEU A 43 2.305 -10.450 -15.988 1.00 72.14 H new ATOM 0 HD12 LEU A 43 1.305 -11.651 -15.138 1.00 72.14 H new ATOM 0 HD13 LEU A 43 0.585 -10.115 -15.676 1.00 72.14 H new ATOM 0 HD21 LEU A 43 2.986 -8.366 -14.856 1.00 52.22 H new ATOM 0 HD22 LEU A 43 1.293 -7.950 -14.499 1.00 52.22 H new ATOM 0 HD23 LEU A 43 2.482 -8.048 -13.179 1.00 52.22 H new ATOM 646 N LYS A 44 -0.100 -11.831 -10.182 1.00 72.40 N ATOM 647 CA LYS A 44 -1.188 -12.329 -9.348 1.00 50.31 C ATOM 648 C LYS A 44 -1.100 -11.752 -7.939 1.00 34.23 C ATOM 649 O LYS A 44 -2.119 -11.531 -7.285 1.00 52.31 O ATOM 650 CB LYS A 44 -1.154 -13.858 -9.288 1.00 53.53 C ATOM 651 CG LYS A 44 -1.754 -14.528 -10.512 1.00 52.43 C ATOM 652 CD LYS A 44 -2.222 -15.940 -10.202 1.00 42.41 C ATOM 653 CE LYS A 44 -1.067 -16.929 -10.236 1.00 73.35 C ATOM 654 NZ LYS A 44 -0.622 -17.214 -11.629 1.00 33.23 N ATOM 0 H LYS A 44 0.615 -12.525 -10.401 1.00 72.40 H new ATOM 0 HA LYS A 44 -2.130 -12.011 -9.794 1.00 50.31 H new ATOM 0 HB2 LYS A 44 -0.121 -14.186 -9.174 1.00 53.53 H new ATOM 0 HB3 LYS A 44 -1.693 -14.191 -8.401 1.00 53.53 H new ATOM 0 HG2 LYS A 44 -2.594 -13.937 -10.876 1.00 52.43 H new ATOM 0 HG3 LYS A 44 -1.014 -14.556 -11.312 1.00 52.43 H new ATOM 0 HD2 LYS A 44 -2.692 -15.961 -9.219 1.00 42.41 H new ATOM 0 HD3 LYS A 44 -2.981 -16.240 -10.925 1.00 42.41 H new ATOM 0 HE2 LYS A 44 -0.231 -16.531 -9.662 1.00 73.35 H new ATOM 0 HE3 LYS A 44 -1.370 -17.858 -9.754 1.00 73.35 H new ATOM 0 HZ1 LYS A 44 0.132 -17.930 -11.613 1.00 33.23 H new ATOM 0 HZ2 LYS A 44 -1.426 -17.570 -12.184 1.00 33.23 H new ATOM 0 HZ3 LYS A 44 -0.261 -16.341 -12.064 1.00 33.23 H new ATOM 668 N GLU A 45 0.123 -11.510 -7.478 1.00 31.51 N ATOM 669 CA GLU A 45 0.342 -10.959 -6.146 1.00 14.21 C ATOM 670 C GLU A 45 -0.470 -9.682 -5.946 1.00 4.10 C ATOM 671 O GLU A 45 -1.155 -9.522 -4.936 1.00 13.42 O ATOM 672 CB GLU A 45 1.828 -10.671 -5.927 1.00 24.24 C ATOM 673 CG GLU A 45 2.711 -11.903 -6.046 1.00 14.43 C ATOM 674 CD GLU A 45 2.322 -12.995 -5.068 1.00 64.14 C ATOM 675 OE1 GLU A 45 2.282 -12.717 -3.852 1.00 4.12 O ATOM 676 OE2 GLU A 45 2.058 -14.129 -5.521 1.00 42.31 O ATOM 0 H GLU A 45 0.977 -11.687 -8.007 1.00 31.51 H new ATOM 0 HA GLU A 45 0.011 -11.698 -5.416 1.00 14.21 H new ATOM 0 HB2 GLU A 45 2.156 -9.928 -6.653 1.00 24.24 H new ATOM 0 HB3 GLU A 45 1.963 -10.232 -4.938 1.00 24.24 H new ATOM 0 HG2 GLU A 45 2.651 -12.292 -7.062 1.00 14.43 H new ATOM 0 HG3 GLU A 45 3.749 -11.619 -5.874 1.00 14.43 H new ATOM 683 N ILE A 46 -0.385 -8.777 -6.915 1.00 54.20 N ATOM 684 CA ILE A 46 -1.111 -7.515 -6.846 1.00 55.30 C ATOM 685 C ILE A 46 -2.615 -7.738 -6.964 1.00 32.50 C ATOM 686 O ILE A 46 -3.408 -7.054 -6.317 1.00 32.44 O ATOM 687 CB ILE A 46 -0.660 -6.544 -7.953 1.00 61.23 C ATOM 688 CG1 ILE A 46 0.867 -6.463 -7.999 1.00 64.42 C ATOM 689 CG2 ILE A 46 -1.262 -5.165 -7.727 1.00 71.51 C ATOM 690 CD1 ILE A 46 1.483 -7.292 -9.105 1.00 3.30 C ATOM 0 H ILE A 46 0.179 -8.894 -7.757 1.00 54.20 H new ATOM 0 HA ILE A 46 -0.886 -7.075 -5.874 1.00 55.30 H new ATOM 0 HB ILE A 46 -1.015 -6.921 -8.912 1.00 61.23 H new ATOM 0 HG12 ILE A 46 1.164 -5.422 -8.128 1.00 64.42 H new ATOM 0 HG13 ILE A 46 1.269 -6.793 -7.041 1.00 64.42 H new ATOM 0 HG21 ILE A 46 -0.934 -4.491 -8.518 1.00 71.51 H new ATOM 0 HG22 ILE A 46 -2.350 -5.236 -7.739 1.00 71.51 H new ATOM 0 HG23 ILE A 46 -0.935 -4.779 -6.762 1.00 71.51 H new ATOM 0 HD11 ILE A 46 2.568 -7.187 -9.078 1.00 3.30 H new ATOM 0 HD12 ILE A 46 1.216 -8.340 -8.966 1.00 3.30 H new ATOM 0 HD13 ILE A 46 1.109 -6.947 -10.069 1.00 3.30 H new ATOM 702 N PHE A 47 -3.001 -8.702 -7.794 1.00 32.24 N ATOM 703 CA PHE A 47 -4.410 -9.018 -7.996 1.00 55.41 C ATOM 704 C PHE A 47 -5.092 -9.337 -6.669 1.00 74.40 C ATOM 705 O PHE A 47 -6.234 -8.941 -6.434 1.00 71.13 O ATOM 706 CB PHE A 47 -4.557 -10.200 -8.956 1.00 35.21 C ATOM 707 CG PHE A 47 -5.898 -10.873 -8.878 1.00 12.34 C ATOM 708 CD1 PHE A 47 -6.150 -11.836 -7.914 1.00 44.00 C ATOM 709 CD2 PHE A 47 -6.907 -10.542 -9.768 1.00 41.11 C ATOM 710 CE1 PHE A 47 -7.382 -12.457 -7.839 1.00 15.40 C ATOM 711 CE2 PHE A 47 -8.142 -11.159 -9.698 1.00 3.34 C ATOM 712 CZ PHE A 47 -8.379 -12.118 -8.733 1.00 34.02 C ATOM 0 H PHE A 47 -2.358 -9.278 -8.337 1.00 32.24 H new ATOM 0 HA PHE A 47 -4.894 -8.144 -8.431 1.00 55.41 H new ATOM 0 HB2 PHE A 47 -4.393 -9.852 -9.976 1.00 35.21 H new ATOM 0 HB3 PHE A 47 -3.779 -10.932 -8.740 1.00 35.21 H new ATOM 0 HD1 PHE A 47 -5.374 -12.104 -7.213 1.00 44.00 H new ATOM 0 HD2 PHE A 47 -6.727 -9.793 -10.525 1.00 41.11 H new ATOM 0 HE1 PHE A 47 -7.565 -13.206 -7.083 1.00 15.40 H new ATOM 0 HE2 PHE A 47 -8.921 -10.891 -10.397 1.00 3.34 H new ATOM 0 HZ PHE A 47 -9.343 -12.602 -8.677 1.00 34.02 H new ATOM 722 N ARG A 48 -4.384 -10.057 -5.805 1.00 72.31 N ATOM 723 CA ARG A 48 -4.921 -10.432 -4.502 1.00 62.34 C ATOM 724 C ARG A 48 -5.057 -9.211 -3.598 1.00 45.22 C ATOM 725 O ARG A 48 -5.647 -9.287 -2.520 1.00 41.12 O ATOM 726 CB ARG A 48 -4.021 -11.475 -3.837 1.00 64.13 C ATOM 727 CG ARG A 48 -4.741 -12.766 -3.485 1.00 72.22 C ATOM 728 CD ARG A 48 -5.941 -12.508 -2.588 1.00 13.52 C ATOM 729 NE ARG A 48 -6.054 -13.502 -1.525 1.00 32.43 N ATOM 730 CZ ARG A 48 -5.343 -13.464 -0.403 1.00 52.43 C ATOM 731 NH1 ARG A 48 -4.473 -12.484 -0.200 1.00 20.32 N ATOM 732 NH2 ARG A 48 -5.502 -14.406 0.518 1.00 54.44 N ATOM 0 H ARG A 48 -3.437 -10.392 -5.984 1.00 72.31 H new ATOM 0 HA ARG A 48 -5.911 -10.861 -4.655 1.00 62.34 H new ATOM 0 HB2 ARG A 48 -3.190 -11.703 -4.504 1.00 64.13 H new ATOM 0 HB3 ARG A 48 -3.594 -11.048 -2.930 1.00 64.13 H new ATOM 0 HG2 ARG A 48 -5.068 -13.262 -4.399 1.00 72.22 H new ATOM 0 HG3 ARG A 48 -4.050 -13.444 -2.984 1.00 72.22 H new ATOM 0 HD2 ARG A 48 -5.857 -11.514 -2.148 1.00 13.52 H new ATOM 0 HD3 ARG A 48 -6.851 -12.515 -3.189 1.00 13.52 H new ATOM 0 HE ARG A 48 -6.715 -14.268 -1.650 1.00 32.43 H new ATOM 0 HH11 ARG A 48 -4.349 -11.758 -0.906 1.00 20.32 H new ATOM 0 HH12 ARG A 48 -3.928 -12.456 0.662 1.00 20.32 H new ATOM 0 HH21 ARG A 48 -6.171 -15.161 0.365 1.00 54.44 H new ATOM 0 HH22 ARG A 48 -4.955 -14.375 1.379 1.00 54.44 H new ATOM 746 N ILE A 49 -4.506 -8.087 -4.044 1.00 41.23 N ATOM 747 CA ILE A 49 -4.566 -6.850 -3.276 1.00 12.23 C ATOM 748 C ILE A 49 -5.722 -5.970 -3.740 1.00 33.24 C ATOM 749 O ILE A 49 -6.098 -5.012 -3.063 1.00 40.22 O ATOM 750 CB ILE A 49 -3.253 -6.053 -3.387 1.00 61.14 C ATOM 751 CG1 ILE A 49 -2.058 -6.949 -3.057 1.00 64.31 C ATOM 752 CG2 ILE A 49 -3.287 -4.844 -2.464 1.00 64.32 C ATOM 753 CD1 ILE A 49 -2.132 -7.574 -1.681 1.00 55.33 C ATOM 0 H ILE A 49 -4.013 -8.008 -4.933 1.00 41.23 H new ATOM 0 HA ILE A 49 -4.723 -7.133 -2.235 1.00 12.23 H new ATOM 0 HB ILE A 49 -3.146 -5.699 -4.412 1.00 61.14 H new ATOM 0 HG12 ILE A 49 -1.991 -7.741 -3.803 1.00 64.31 H new ATOM 0 HG13 ILE A 49 -1.143 -6.362 -3.132 1.00 64.31 H new ATOM 0 HG21 ILE A 49 -2.352 -4.291 -2.554 1.00 64.32 H new ATOM 0 HG22 ILE A 49 -4.119 -4.197 -2.742 1.00 64.32 H new ATOM 0 HG23 ILE A 49 -3.414 -5.176 -1.434 1.00 64.32 H new ATOM 0 HD11 ILE A 49 -1.252 -8.196 -1.516 1.00 55.33 H new ATOM 0 HD12 ILE A 49 -2.168 -6.789 -0.926 1.00 55.33 H new ATOM 0 HD13 ILE A 49 -3.029 -8.189 -1.608 1.00 55.33 H new ATOM 765 N LEU A 50 -6.284 -6.303 -4.896 1.00 52.14 N ATOM 766 CA LEU A 50 -7.400 -5.544 -5.451 1.00 71.51 C ATOM 767 C LEU A 50 -8.733 -6.092 -4.951 1.00 21.32 C ATOM 768 O LEU A 50 -9.731 -5.375 -4.903 1.00 73.12 O ATOM 769 CB LEU A 50 -7.360 -5.585 -6.980 1.00 35.33 C ATOM 770 CG LEU A 50 -6.591 -4.454 -7.662 1.00 4.34 C ATOM 771 CD1 LEU A 50 -5.178 -4.900 -8.004 1.00 4.02 C ATOM 772 CD2 LEU A 50 -7.323 -3.989 -8.912 1.00 45.40 C ATOM 0 H LEU A 50 -5.986 -7.093 -5.468 1.00 52.14 H new ATOM 0 HA LEU A 50 -7.305 -4.510 -5.119 1.00 71.51 H new ATOM 0 HB2 LEU A 50 -6.919 -6.534 -7.287 1.00 35.33 H new ATOM 0 HB3 LEU A 50 -8.385 -5.575 -7.351 1.00 35.33 H new ATOM 0 HG LEU A 50 -6.527 -3.615 -6.970 1.00 4.34 H new ATOM 0 HD11 LEU A 50 -4.646 -4.082 -8.489 1.00 4.02 H new ATOM 0 HD12 LEU A 50 -4.655 -5.183 -7.091 1.00 4.02 H new ATOM 0 HD13 LEU A 50 -5.220 -5.756 -8.678 1.00 4.02 H new ATOM 0 HD21 LEU A 50 -6.761 -3.183 -9.384 1.00 45.40 H new ATOM 0 HD22 LEU A 50 -7.419 -4.822 -9.609 1.00 45.40 H new ATOM 0 HD23 LEU A 50 -8.315 -3.628 -8.640 1.00 45.40 H new ATOM 784 N ASP A 51 -8.740 -7.368 -4.577 1.00 3.31 N ATOM 785 CA ASP A 51 -9.950 -8.012 -4.078 1.00 45.52 C ATOM 786 C ASP A 51 -10.405 -7.374 -2.769 1.00 25.43 C ATOM 787 O ASP A 51 -9.935 -7.742 -1.692 1.00 55.53 O ATOM 788 CB ASP A 51 -9.708 -9.508 -3.873 1.00 72.42 C ATOM 789 CG ASP A 51 -10.996 -10.275 -3.648 1.00 42.32 C ATOM 790 OD1 ASP A 51 -12.126 -9.595 -3.803 1.00 42.42 O ATOM 791 OD2 ASP A 51 -10.975 -11.466 -3.339 1.00 33.33 O ATOM 0 H ASP A 51 -7.922 -7.976 -4.610 1.00 3.31 H new ATOM 0 HA ASP A 51 -10.737 -7.877 -4.820 1.00 45.52 H new ATOM 0 HB2 ASP A 51 -9.194 -9.913 -4.745 1.00 72.42 H new ATOM 0 HB3 ASP A 51 -9.048 -9.653 -3.018 1.00 72.42 H new ATOM 796 N ASN A 52 -11.322 -6.418 -2.870 1.00 1.03 N ATOM 797 CA ASN A 52 -11.841 -5.729 -1.693 1.00 61.44 C ATOM 798 C ASN A 52 -13.025 -6.485 -1.099 1.00 74.31 C ATOM 799 O ASN A 52 -13.694 -5.995 -0.189 1.00 21.53 O ATOM 800 CB ASN A 52 -12.261 -4.304 -2.056 1.00 12.44 C ATOM 801 CG ASN A 52 -11.267 -3.267 -1.570 1.00 43.32 C ATOM 802 OD1 ASN A 52 -11.629 -2.326 -0.864 1.00 0.23 O ATOM 803 ND2 ASN A 52 -10.005 -3.435 -1.949 1.00 1.25 N ATOM 0 H ASN A 52 -11.721 -6.102 -3.754 1.00 1.03 H new ATOM 0 HA ASN A 52 -11.048 -5.688 -0.946 1.00 61.44 H new ATOM 0 HB2 ASN A 52 -12.366 -4.224 -3.138 1.00 12.44 H new ATOM 0 HB3 ASN A 52 -13.240 -4.095 -1.624 1.00 12.44 H new ATOM 0 HD21 ASN A 52 -9.291 -2.769 -1.654 1.00 1.25 H new ATOM 0 HD22 ASN A 52 -9.750 -4.230 -2.535 1.00 1.25 H new ATOM 810 N ASP A 53 -13.279 -7.681 -1.620 1.00 5.11 N ATOM 811 CA ASP A 53 -14.381 -8.506 -1.140 1.00 51.01 C ATOM 812 C ASP A 53 -13.879 -9.872 -0.684 1.00 22.23 C ATOM 813 O ASP A 53 -14.608 -10.629 -0.043 1.00 4.23 O ATOM 814 CB ASP A 53 -15.434 -8.676 -2.237 1.00 3.04 C ATOM 815 CG ASP A 53 -15.652 -7.404 -3.032 1.00 10.22 C ATOM 816 OD1 ASP A 53 -15.712 -6.321 -2.413 1.00 42.12 O ATOM 817 OD2 ASP A 53 -15.764 -7.491 -4.273 1.00 31.22 O ATOM 0 H ASP A 53 -12.736 -8.100 -2.375 1.00 5.11 H new ATOM 0 HA ASP A 53 -14.834 -8.002 -0.286 1.00 51.01 H new ATOM 0 HB2 ASP A 53 -15.126 -9.474 -2.912 1.00 3.04 H new ATOM 0 HB3 ASP A 53 -16.377 -8.986 -1.787 1.00 3.04 H new ATOM 822 N GLN A 54 -12.630 -10.181 -1.020 1.00 14.54 N ATOM 823 CA GLN A 54 -12.032 -11.457 -0.646 1.00 12.45 C ATOM 824 C GLN A 54 -12.832 -12.622 -1.219 1.00 44.35 C ATOM 825 O GLN A 54 -12.684 -13.763 -0.783 1.00 60.22 O ATOM 826 CB GLN A 54 -11.951 -11.579 0.877 1.00 34.01 C ATOM 827 CG GLN A 54 -11.437 -10.323 1.562 1.00 34.01 C ATOM 828 CD GLN A 54 -9.937 -10.155 1.424 1.00 71.23 C ATOM 829 OE1 GLN A 54 -9.161 -10.985 1.899 1.00 75.21 O ATOM 830 NE2 GLN A 54 -9.519 -9.077 0.770 1.00 35.31 N ATOM 0 H GLN A 54 -12.013 -9.565 -1.550 1.00 14.54 H new ATOM 0 HA GLN A 54 -11.025 -11.493 -1.061 1.00 12.45 H new ATOM 0 HB2 GLN A 54 -12.941 -11.816 1.267 1.00 34.01 H new ATOM 0 HB3 GLN A 54 -11.299 -12.414 1.132 1.00 34.01 H new ATOM 0 HG2 GLN A 54 -11.937 -9.452 1.138 1.00 34.01 H new ATOM 0 HG3 GLN A 54 -11.699 -10.357 2.619 1.00 34.01 H new ATOM 0 HE21 GLN A 54 -10.197 -8.415 0.393 1.00 35.31 H new ATOM 0 HE22 GLN A 54 -8.520 -8.911 0.645 1.00 35.31 H new ATOM 839 N SER A 55 -13.679 -12.326 -2.200 1.00 1.41 N ATOM 840 CA SER A 55 -14.505 -13.348 -2.831 1.00 31.10 C ATOM 841 C SER A 55 -13.675 -14.208 -3.780 1.00 14.50 C ATOM 842 O SER A 55 -13.913 -15.407 -3.917 1.00 42.24 O ATOM 843 CB SER A 55 -15.663 -12.700 -3.592 1.00 50.23 C ATOM 844 OG SER A 55 -15.306 -11.412 -4.063 1.00 51.13 O ATOM 0 H SER A 55 -13.811 -11.387 -2.575 1.00 1.41 H new ATOM 0 HA SER A 55 -14.909 -13.989 -2.047 1.00 31.10 H new ATOM 0 HB2 SER A 55 -15.949 -13.332 -4.433 1.00 50.23 H new ATOM 0 HB3 SER A 55 -16.533 -12.624 -2.940 1.00 50.23 H new ATOM 0 HG SER A 55 -16.062 -11.020 -4.547 1.00 51.13 H new ATOM 850 N GLY A 56 -12.700 -13.584 -4.434 1.00 1.24 N ATOM 851 CA GLY A 56 -11.849 -14.305 -5.362 1.00 32.52 C ATOM 852 C GLY A 56 -11.653 -13.561 -6.667 1.00 50.14 C ATOM 853 O GLY A 56 -10.757 -13.885 -7.447 1.00 22.12 O ATOM 0 H GLY A 56 -12.484 -12.592 -4.338 1.00 1.24 H new ATOM 0 HA2 GLY A 56 -10.878 -14.481 -4.898 1.00 32.52 H new ATOM 0 HA3 GLY A 56 -12.286 -15.282 -5.567 1.00 32.52 H new ATOM 857 N PHE A 57 -12.494 -12.561 -6.908 1.00 50.45 N ATOM 858 CA PHE A 57 -12.411 -11.769 -8.131 1.00 23.35 C ATOM 859 C PHE A 57 -12.463 -10.277 -7.817 1.00 14.12 C ATOM 860 O PHE A 57 -12.726 -9.880 -6.681 1.00 44.42 O ATOM 861 CB PHE A 57 -13.548 -12.142 -9.083 1.00 74.13 C ATOM 862 CG PHE A 57 -13.679 -13.621 -9.312 1.00 5.11 C ATOM 863 CD1 PHE A 57 -14.404 -14.410 -8.434 1.00 11.20 C ATOM 864 CD2 PHE A 57 -13.075 -14.222 -10.405 1.00 23.15 C ATOM 865 CE1 PHE A 57 -14.526 -15.771 -8.642 1.00 12.14 C ATOM 866 CE2 PHE A 57 -13.194 -15.582 -10.617 1.00 64.55 C ATOM 867 CZ PHE A 57 -13.919 -16.358 -9.734 1.00 72.03 C ATOM 0 H PHE A 57 -13.241 -12.279 -6.273 1.00 50.45 H new ATOM 0 HA PHE A 57 -11.458 -11.988 -8.612 1.00 23.35 H new ATOM 0 HB2 PHE A 57 -14.487 -11.760 -8.682 1.00 74.13 H new ATOM 0 HB3 PHE A 57 -13.386 -11.647 -10.041 1.00 74.13 H new ATOM 0 HD1 PHE A 57 -14.879 -13.956 -7.577 1.00 11.20 H new ATOM 0 HD2 PHE A 57 -12.505 -13.621 -11.098 1.00 23.15 H new ATOM 0 HE1 PHE A 57 -15.096 -16.375 -7.951 1.00 12.14 H new ATOM 0 HE2 PHE A 57 -12.720 -16.038 -11.473 1.00 64.55 H new ATOM 0 HZ PHE A 57 -14.011 -17.422 -9.898 1.00 72.03 H new ATOM 877 N ILE A 58 -12.212 -9.456 -8.831 1.00 22.11 N ATOM 878 CA ILE A 58 -12.231 -8.008 -8.664 1.00 60.20 C ATOM 879 C ILE A 58 -13.341 -7.374 -9.495 1.00 14.24 C ATOM 880 O ILE A 58 -13.092 -6.832 -10.571 1.00 2.54 O ATOM 881 CB ILE A 58 -10.883 -7.378 -9.062 1.00 54.21 C ATOM 882 CG1 ILE A 58 -9.738 -8.044 -8.297 1.00 70.11 C ATOM 883 CG2 ILE A 58 -10.902 -5.879 -8.800 1.00 23.32 C ATOM 884 CD1 ILE A 58 -8.384 -7.843 -8.940 1.00 41.54 C ATOM 0 H ILE A 58 -11.993 -9.769 -9.777 1.00 22.11 H new ATOM 0 HA ILE A 58 -12.415 -7.814 -7.607 1.00 60.20 H new ATOM 0 HB ILE A 58 -10.724 -7.539 -10.128 1.00 54.21 H new ATOM 0 HG12 ILE A 58 -9.711 -7.648 -7.282 1.00 70.11 H new ATOM 0 HG13 ILE A 58 -9.938 -9.112 -8.217 1.00 70.11 H new ATOM 0 HG21 ILE A 58 -9.943 -5.447 -9.086 1.00 23.32 H new ATOM 0 HG22 ILE A 58 -11.697 -5.417 -9.386 1.00 23.32 H new ATOM 0 HG23 ILE A 58 -11.080 -5.697 -7.740 1.00 23.32 H new ATOM 0 HD11 ILE A 58 -7.620 -8.342 -8.344 1.00 41.54 H new ATOM 0 HD12 ILE A 58 -8.392 -8.264 -9.945 1.00 41.54 H new ATOM 0 HD13 ILE A 58 -8.162 -6.777 -8.995 1.00 41.54 H new ATOM 896 N GLU A 59 -14.568 -7.444 -8.986 1.00 24.51 N ATOM 897 CA GLU A 59 -15.716 -6.876 -9.681 1.00 52.32 C ATOM 898 C GLU A 59 -15.476 -5.406 -10.017 1.00 33.45 C ATOM 899 O GLU A 59 -14.505 -4.806 -9.559 1.00 1.24 O ATOM 900 CB GLU A 59 -16.978 -7.016 -8.827 1.00 51.21 C ATOM 901 CG GLU A 59 -17.143 -8.393 -8.207 1.00 14.12 C ATOM 902 CD GLU A 59 -16.990 -8.375 -6.698 1.00 72.43 C ATOM 903 OE1 GLU A 59 -17.648 -7.540 -6.044 1.00 52.12 O ATOM 904 OE2 GLU A 59 -16.212 -9.198 -6.172 1.00 62.41 O ATOM 0 H GLU A 59 -14.791 -7.888 -8.095 1.00 24.51 H new ATOM 0 HA GLU A 59 -15.853 -7.426 -10.612 1.00 52.32 H new ATOM 0 HB2 GLU A 59 -16.954 -6.270 -8.033 1.00 51.21 H new ATOM 0 HB3 GLU A 59 -17.850 -6.797 -9.444 1.00 51.21 H new ATOM 0 HG2 GLU A 59 -18.126 -8.788 -8.464 1.00 14.12 H new ATOM 0 HG3 GLU A 59 -16.405 -9.071 -8.635 1.00 14.12 H new ATOM 911 N GLU A 60 -16.369 -4.835 -10.819 1.00 61.33 N ATOM 912 CA GLU A 60 -16.253 -3.437 -11.217 1.00 72.21 C ATOM 913 C GLU A 60 -16.353 -2.516 -10.004 1.00 60.43 C ATOM 914 O GLU A 60 -15.755 -1.441 -9.978 1.00 11.44 O ATOM 915 CB GLU A 60 -17.341 -3.081 -12.232 1.00 72.14 C ATOM 916 CG GLU A 60 -17.016 -3.517 -13.651 1.00 42.12 C ATOM 917 CD GLU A 60 -18.245 -3.585 -14.537 1.00 23.21 C ATOM 918 OE1 GLU A 60 -19.021 -4.554 -14.399 1.00 52.23 O ATOM 919 OE2 GLU A 60 -18.430 -2.671 -15.367 1.00 70.21 O ATOM 0 H GLU A 60 -17.180 -5.318 -11.206 1.00 61.33 H new ATOM 0 HA GLU A 60 -15.276 -3.297 -11.679 1.00 72.21 H new ATOM 0 HB2 GLU A 60 -18.279 -3.544 -11.924 1.00 72.14 H new ATOM 0 HB3 GLU A 60 -17.499 -2.003 -12.219 1.00 72.14 H new ATOM 0 HG2 GLU A 60 -16.298 -2.821 -14.085 1.00 42.12 H new ATOM 0 HG3 GLU A 60 -16.537 -4.496 -13.626 1.00 42.12 H new ATOM 926 N ASP A 61 -17.113 -2.947 -9.003 1.00 41.23 N ATOM 927 CA ASP A 61 -17.291 -2.162 -7.787 1.00 35.40 C ATOM 928 C ASP A 61 -15.961 -1.963 -7.068 1.00 64.44 C ATOM 929 O ASP A 61 -15.795 -1.016 -6.301 1.00 42.33 O ATOM 930 CB ASP A 61 -18.291 -2.848 -6.855 1.00 32.35 C ATOM 931 CG ASP A 61 -19.721 -2.427 -7.128 1.00 55.23 C ATOM 932 OD1 ASP A 61 -20.341 -2.993 -8.053 1.00 64.25 O ATOM 933 OD2 ASP A 61 -20.222 -1.531 -6.417 1.00 31.11 O ATOM 0 H ASP A 61 -17.615 -3.835 -9.010 1.00 41.23 H new ATOM 0 HA ASP A 61 -17.680 -1.184 -8.069 1.00 35.40 H new ATOM 0 HB2 ASP A 61 -18.206 -3.929 -6.968 1.00 32.35 H new ATOM 0 HB3 ASP A 61 -18.038 -2.615 -5.821 1.00 32.35 H new ATOM 938 N GLU A 62 -15.016 -2.864 -7.322 1.00 73.01 N ATOM 939 CA GLU A 62 -13.701 -2.787 -6.697 1.00 60.53 C ATOM 940 C GLU A 62 -12.633 -2.418 -7.722 1.00 45.32 C ATOM 941 O GLU A 62 -11.610 -1.821 -7.382 1.00 62.32 O ATOM 942 CB GLU A 62 -13.348 -4.121 -6.035 1.00 11.11 C ATOM 943 CG GLU A 62 -13.876 -5.332 -6.785 1.00 51.14 C ATOM 944 CD GLU A 62 -13.768 -6.611 -5.978 1.00 61.14 C ATOM 945 OE1 GLU A 62 -13.138 -6.582 -4.901 1.00 1.02 O ATOM 946 OE2 GLU A 62 -14.314 -7.642 -6.425 1.00 50.32 O ATOM 0 H GLU A 62 -15.137 -3.654 -7.955 1.00 73.01 H new ATOM 0 HA GLU A 62 -13.734 -2.008 -5.935 1.00 60.53 H new ATOM 0 HB2 GLU A 62 -12.264 -4.200 -5.952 1.00 11.11 H new ATOM 0 HB3 GLU A 62 -13.747 -4.130 -5.021 1.00 11.11 H new ATOM 0 HG2 GLU A 62 -14.919 -5.163 -7.052 1.00 51.14 H new ATOM 0 HG3 GLU A 62 -13.323 -5.447 -7.717 1.00 51.14 H new ATOM 953 N LEU A 63 -12.877 -2.776 -8.978 1.00 25.22 N ATOM 954 CA LEU A 63 -11.936 -2.483 -10.054 1.00 21.13 C ATOM 955 C LEU A 63 -11.714 -0.980 -10.189 1.00 75.11 C ATOM 956 O LEU A 63 -10.636 -0.533 -10.581 1.00 13.12 O ATOM 957 CB LEU A 63 -12.449 -3.056 -11.376 1.00 41.22 C ATOM 958 CG LEU A 63 -11.386 -3.619 -12.321 1.00 14.50 C ATOM 959 CD1 LEU A 63 -12.008 -4.006 -13.653 1.00 74.35 C ATOM 960 CD2 LEU A 63 -10.267 -2.609 -12.527 1.00 2.43 C ATOM 0 H LEU A 63 -13.718 -3.270 -9.276 1.00 25.22 H new ATOM 0 HA LEU A 63 -10.983 -2.951 -9.808 1.00 21.13 H new ATOM 0 HB2 LEU A 63 -13.164 -3.848 -11.153 1.00 41.22 H new ATOM 0 HB3 LEU A 63 -12.995 -2.272 -11.901 1.00 41.22 H new ATOM 0 HG LEU A 63 -10.961 -4.515 -11.867 1.00 14.50 H new ATOM 0 HD11 LEU A 63 -11.237 -4.404 -14.312 1.00 74.35 H new ATOM 0 HD12 LEU A 63 -12.774 -4.764 -13.490 1.00 74.35 H new ATOM 0 HD13 LEU A 63 -12.460 -3.127 -14.113 1.00 74.35 H new ATOM 0 HD21 LEU A 63 -9.520 -3.026 -13.202 1.00 2.43 H new ATOM 0 HD22 LEU A 63 -10.676 -1.696 -12.959 1.00 2.43 H new ATOM 0 HD23 LEU A 63 -9.802 -2.380 -11.568 1.00 2.43 H new ATOM 972 N LYS A 64 -12.742 -0.204 -9.861 1.00 23.04 N ATOM 973 CA LYS A 64 -12.660 1.250 -9.942 1.00 22.55 C ATOM 974 C LYS A 64 -11.568 1.785 -9.020 1.00 53.14 C ATOM 975 O LYS A 64 -10.948 2.809 -9.307 1.00 12.40 O ATOM 976 CB LYS A 64 -14.006 1.878 -9.574 1.00 41.00 C ATOM 977 CG LYS A 64 -14.601 1.332 -8.288 1.00 10.24 C ATOM 978 CD LYS A 64 -15.469 2.367 -7.591 1.00 45.33 C ATOM 979 CE LYS A 64 -16.639 2.793 -8.465 1.00 64.31 C ATOM 980 NZ LYS A 64 -17.945 2.595 -7.778 1.00 22.21 N ATOM 0 H LYS A 64 -13.642 -0.558 -9.536 1.00 23.04 H new ATOM 0 HA LYS A 64 -12.409 1.519 -10.968 1.00 22.55 H new ATOM 0 HB2 LYS A 64 -13.880 2.956 -9.477 1.00 41.00 H new ATOM 0 HB3 LYS A 64 -14.710 1.712 -10.389 1.00 41.00 H new ATOM 0 HG2 LYS A 64 -15.196 0.446 -8.509 1.00 10.24 H new ATOM 0 HG3 LYS A 64 -13.799 1.019 -7.619 1.00 10.24 H new ATOM 0 HD2 LYS A 64 -15.844 1.957 -6.653 1.00 45.33 H new ATOM 0 HD3 LYS A 64 -14.866 3.239 -7.339 1.00 45.33 H new ATOM 0 HE2 LYS A 64 -16.527 3.843 -8.736 1.00 64.31 H new ATOM 0 HE3 LYS A 64 -16.626 2.221 -9.393 1.00 64.31 H new ATOM 0 HZ1 LYS A 64 -18.717 2.897 -8.406 1.00 22.21 H new ATOM 0 HZ2 LYS A 64 -18.064 1.589 -7.542 1.00 22.21 H new ATOM 0 HZ3 LYS A 64 -17.967 3.160 -6.905 1.00 22.21 H new ATOM 994 N TYR A 65 -11.338 1.086 -7.915 1.00 21.31 N ATOM 995 CA TYR A 65 -10.322 1.492 -6.951 1.00 64.25 C ATOM 996 C TYR A 65 -8.930 1.076 -7.419 1.00 53.25 C ATOM 997 O TYR A 65 -7.980 1.056 -6.637 1.00 63.33 O ATOM 998 CB TYR A 65 -10.615 0.880 -5.581 1.00 22.43 C ATOM 999 CG TYR A 65 -11.780 1.526 -4.866 1.00 31.52 C ATOM 1000 CD1 TYR A 65 -11.920 2.908 -4.832 1.00 22.40 C ATOM 1001 CD2 TYR A 65 -12.741 0.754 -4.224 1.00 3.25 C ATOM 1002 CE1 TYR A 65 -12.982 3.502 -4.179 1.00 54.35 C ATOM 1003 CE2 TYR A 65 -13.807 1.340 -3.570 1.00 13.21 C ATOM 1004 CZ TYR A 65 -13.924 2.714 -3.550 1.00 43.45 C ATOM 1005 OH TYR A 65 -14.984 3.302 -2.899 1.00 41.12 O ATOM 0 H TYR A 65 -11.841 0.235 -7.664 1.00 21.31 H new ATOM 0 HA TYR A 65 -10.349 2.579 -6.869 1.00 64.25 H new ATOM 0 HB2 TYR A 65 -10.819 -0.184 -5.704 1.00 22.43 H new ATOM 0 HB3 TYR A 65 -9.725 0.964 -4.957 1.00 22.43 H new ATOM 0 HD1 TYR A 65 -11.186 3.528 -5.325 1.00 22.40 H new ATOM 0 HD2 TYR A 65 -12.653 -0.322 -4.237 1.00 3.25 H new ATOM 0 HE1 TYR A 65 -13.075 4.578 -4.161 1.00 54.35 H new ATOM 0 HE2 TYR A 65 -14.545 0.725 -3.077 1.00 13.21 H new ATOM 0 HH TYR A 65 -15.555 2.607 -2.510 1.00 41.12 H new ATOM 1015 N PHE A 66 -8.819 0.746 -8.702 1.00 23.12 N ATOM 1016 CA PHE A 66 -7.544 0.330 -9.276 1.00 54.12 C ATOM 1017 C PHE A 66 -6.469 1.386 -9.036 1.00 53.00 C ATOM 1018 O PHE A 66 -5.287 1.066 -8.907 1.00 2.40 O ATOM 1019 CB PHE A 66 -7.697 0.073 -10.777 1.00 2.32 C ATOM 1020 CG PHE A 66 -6.388 -0.114 -11.489 1.00 4.01 C ATOM 1021 CD1 PHE A 66 -5.594 -1.219 -11.228 1.00 5.14 C ATOM 1022 CD2 PHE A 66 -5.951 0.815 -12.419 1.00 42.42 C ATOM 1023 CE1 PHE A 66 -4.388 -1.394 -11.881 1.00 74.43 C ATOM 1024 CE2 PHE A 66 -4.747 0.645 -13.076 1.00 60.13 C ATOM 1025 CZ PHE A 66 -3.964 -0.461 -12.806 1.00 52.42 C ATOM 0 H PHE A 66 -9.596 0.759 -9.363 1.00 23.12 H new ATOM 0 HA PHE A 66 -7.237 -0.593 -8.785 1.00 54.12 H new ATOM 0 HB2 PHE A 66 -8.312 -0.815 -10.925 1.00 2.32 H new ATOM 0 HB3 PHE A 66 -8.231 0.909 -11.228 1.00 2.32 H new ATOM 0 HD1 PHE A 66 -5.921 -1.952 -10.506 1.00 5.14 H new ATOM 0 HD2 PHE A 66 -6.558 1.682 -12.633 1.00 42.42 H new ATOM 0 HE1 PHE A 66 -3.778 -2.260 -11.668 1.00 74.43 H new ATOM 0 HE2 PHE A 66 -4.418 1.376 -13.800 1.00 60.13 H new ATOM 0 HZ PHE A 66 -3.022 -0.595 -13.317 1.00 52.42 H new ATOM 1035 N LEU A 67 -6.888 2.645 -8.978 1.00 12.32 N ATOM 1036 CA LEU A 67 -5.962 3.750 -8.754 1.00 12.12 C ATOM 1037 C LEU A 67 -5.670 3.923 -7.267 1.00 31.34 C ATOM 1038 O LEU A 67 -4.780 4.681 -6.884 1.00 24.11 O ATOM 1039 CB LEU A 67 -6.537 5.047 -9.326 1.00 44.03 C ATOM 1040 CG LEU A 67 -7.305 4.918 -10.642 1.00 32.52 C ATOM 1041 CD1 LEU A 67 -7.391 6.263 -11.345 1.00 3.42 C ATOM 1042 CD2 LEU A 67 -6.648 3.883 -11.544 1.00 2.30 C ATOM 0 H LEU A 67 -7.863 2.926 -9.083 1.00 12.32 H new ATOM 0 HA LEU A 67 -5.027 3.517 -9.265 1.00 12.12 H new ATOM 0 HB2 LEU A 67 -7.202 5.485 -8.582 1.00 44.03 H new ATOM 0 HB3 LEU A 67 -5.717 5.750 -9.474 1.00 44.03 H new ATOM 0 HG LEU A 67 -8.318 4.584 -10.417 1.00 32.52 H new ATOM 0 HD11 LEU A 67 -7.941 6.151 -12.279 1.00 3.42 H new ATOM 0 HD12 LEU A 67 -7.908 6.977 -10.703 1.00 3.42 H new ATOM 0 HD13 LEU A 67 -6.386 6.628 -11.557 1.00 3.42 H new ATOM 0 HD21 LEU A 67 -7.208 3.805 -12.476 1.00 2.30 H new ATOM 0 HD22 LEU A 67 -5.624 4.187 -11.761 1.00 2.30 H new ATOM 0 HD23 LEU A 67 -6.641 2.915 -11.042 1.00 2.30 H new ATOM 1054 N GLN A 68 -6.425 3.213 -6.434 1.00 60.23 N ATOM 1055 CA GLN A 68 -6.245 3.287 -4.989 1.00 54.02 C ATOM 1056 C GLN A 68 -5.299 2.195 -4.501 1.00 72.14 C ATOM 1057 O GLN A 68 -5.141 1.989 -3.298 1.00 32.00 O ATOM 1058 CB GLN A 68 -7.595 3.164 -4.279 1.00 62.44 C ATOM 1059 CG GLN A 68 -8.137 4.489 -3.768 1.00 62.24 C ATOM 1060 CD GLN A 68 -9.308 4.995 -4.587 1.00 70.11 C ATOM 1061 OE1 GLN A 68 -10.385 5.261 -4.053 1.00 31.41 O ATOM 1062 NE2 GLN A 68 -9.103 5.131 -5.892 1.00 54.41 N ATOM 0 H GLN A 68 -7.166 2.581 -6.735 1.00 60.23 H new ATOM 0 HA GLN A 68 -5.805 4.256 -4.752 1.00 54.02 H new ATOM 0 HB2 GLN A 68 -8.319 2.726 -4.966 1.00 62.44 H new ATOM 0 HB3 GLN A 68 -7.494 2.475 -3.441 1.00 62.44 H new ATOM 0 HG2 GLN A 68 -8.448 4.374 -2.730 1.00 62.24 H new ATOM 0 HG3 GLN A 68 -7.340 5.233 -3.782 1.00 62.24 H new ATOM 0 HE21 GLN A 68 -8.194 4.899 -6.292 1.00 54.41 H new ATOM 0 HE22 GLN A 68 -9.854 5.468 -6.494 1.00 54.41 H new ATOM 1071 N ARG A 69 -4.673 1.498 -5.443 1.00 64.44 N ATOM 1072 CA ARG A 69 -3.743 0.425 -5.109 1.00 52.23 C ATOM 1073 C ARG A 69 -2.301 0.861 -5.351 1.00 61.33 C ATOM 1074 O ARG A 69 -1.383 0.415 -4.663 1.00 22.32 O ATOM 1075 CB ARG A 69 -4.055 -0.825 -5.935 1.00 11.54 C ATOM 1076 CG ARG A 69 -5.508 -0.918 -6.372 1.00 64.52 C ATOM 1077 CD ARG A 69 -6.450 -0.929 -5.178 1.00 64.15 C ATOM 1078 NE ARG A 69 -5.956 -1.781 -4.100 1.00 13.04 N ATOM 1079 CZ ARG A 69 -6.350 -1.668 -2.836 1.00 24.11 C ATOM 1080 NH1 ARG A 69 -7.237 -0.744 -2.494 1.00 74.53 N ATOM 1081 NH2 ARG A 69 -5.855 -2.481 -1.911 1.00 0.33 N ATOM 0 H ARG A 69 -4.792 1.657 -6.443 1.00 64.44 H new ATOM 0 HA ARG A 69 -3.861 0.192 -4.051 1.00 52.23 H new ATOM 0 HB2 ARG A 69 -3.417 -0.835 -6.819 1.00 11.54 H new ATOM 0 HB3 ARG A 69 -3.803 -1.709 -5.350 1.00 11.54 H new ATOM 0 HG2 ARG A 69 -5.749 -0.075 -7.019 1.00 64.52 H new ATOM 0 HG3 ARG A 69 -5.655 -1.824 -6.961 1.00 64.52 H new ATOM 0 HD2 ARG A 69 -6.577 0.088 -4.807 1.00 64.15 H new ATOM 0 HD3 ARG A 69 -7.433 -1.278 -5.495 1.00 64.15 H new ATOM 0 HE ARG A 69 -5.272 -2.502 -4.330 1.00 13.04 H new ATOM 0 HH11 ARG A 69 -7.619 -0.117 -3.202 1.00 74.53 H new ATOM 0 HH12 ARG A 69 -7.537 -0.660 -1.523 1.00 74.53 H new ATOM 0 HH21 ARG A 69 -5.172 -3.193 -2.170 1.00 0.33 H new ATOM 0 HH22 ARG A 69 -6.158 -2.394 -0.941 1.00 0.33 H new ATOM 1095 N PHE A 70 -2.109 1.734 -6.334 1.00 51.14 N ATOM 1096 CA PHE A 70 -0.779 2.229 -6.669 1.00 23.14 C ATOM 1097 C PHE A 70 -0.510 3.568 -5.989 1.00 50.41 C ATOM 1098 O PHE A 70 0.637 3.913 -5.706 1.00 32.10 O ATOM 1099 CB PHE A 70 -0.632 2.375 -8.185 1.00 24.33 C ATOM 1100 CG PHE A 70 -0.668 1.065 -8.919 1.00 52.12 C ATOM 1101 CD1 PHE A 70 -1.854 0.359 -9.044 1.00 65.42 C ATOM 1102 CD2 PHE A 70 0.483 0.540 -9.484 1.00 50.22 C ATOM 1103 CE1 PHE A 70 -1.891 -0.847 -9.720 1.00 2.32 C ATOM 1104 CE2 PHE A 70 0.452 -0.664 -10.161 1.00 73.23 C ATOM 1105 CZ PHE A 70 -0.736 -1.359 -10.278 1.00 73.12 C ATOM 0 H PHE A 70 -2.858 2.114 -6.913 1.00 51.14 H new ATOM 0 HA PHE A 70 -0.048 1.505 -6.309 1.00 23.14 H new ATOM 0 HB2 PHE A 70 -1.431 3.015 -8.560 1.00 24.33 H new ATOM 0 HB3 PHE A 70 0.309 2.879 -8.404 1.00 24.33 H new ATOM 0 HD1 PHE A 70 -2.760 0.755 -8.609 1.00 65.42 H new ATOM 0 HD2 PHE A 70 1.415 1.078 -9.394 1.00 50.22 H new ATOM 0 HE1 PHE A 70 -2.822 -1.388 -9.811 1.00 2.32 H new ATOM 0 HE2 PHE A 70 1.356 -1.061 -10.598 1.00 73.23 H new ATOM 0 HZ PHE A 70 -0.762 -2.301 -10.805 1.00 73.12 H new ATOM 1115 N GLU A 71 -1.577 4.319 -5.731 1.00 64.04 N ATOM 1116 CA GLU A 71 -1.456 5.621 -5.087 1.00 4.24 C ATOM 1117 C GLU A 71 -2.012 5.579 -3.666 1.00 73.14 C ATOM 1118 O GLU A 71 -1.522 6.272 -2.775 1.00 42.01 O ATOM 1119 CB GLU A 71 -2.189 6.689 -5.902 1.00 24.22 C ATOM 1120 CG GLU A 71 -1.764 8.109 -5.567 1.00 24.41 C ATOM 1121 CD GLU A 71 -0.276 8.333 -5.758 1.00 31.34 C ATOM 1122 OE1 GLU A 71 0.498 7.988 -4.840 1.00 14.24 O ATOM 1123 OE2 GLU A 71 0.114 8.852 -6.824 1.00 4.33 O ATOM 0 H GLU A 71 -2.534 4.048 -5.958 1.00 64.04 H new ATOM 0 HA GLU A 71 -0.397 5.876 -5.037 1.00 4.24 H new ATOM 0 HB2 GLU A 71 -2.015 6.507 -6.963 1.00 24.22 H new ATOM 0 HB3 GLU A 71 -3.261 6.590 -5.733 1.00 24.22 H new ATOM 0 HG2 GLU A 71 -2.316 8.807 -6.196 1.00 24.41 H new ATOM 0 HG3 GLU A 71 -2.031 8.330 -4.534 1.00 24.41 H new ATOM 1130 N SER A 72 -3.040 4.761 -3.464 1.00 72.11 N ATOM 1131 CA SER A 72 -3.667 4.631 -2.154 1.00 32.30 C ATOM 1132 C SER A 72 -4.313 5.946 -1.728 1.00 31.42 C ATOM 1133 O SER A 72 -3.962 6.517 -0.696 1.00 74.13 O ATOM 1134 CB SER A 72 -2.635 4.195 -1.112 1.00 40.21 C ATOM 1135 OG SER A 72 -3.252 3.500 -0.043 1.00 20.43 O ATOM 0 H SER A 72 -3.456 4.179 -4.191 1.00 72.11 H new ATOM 0 HA SER A 72 -4.445 3.871 -2.225 1.00 32.30 H new ATOM 0 HB2 SER A 72 -1.887 3.556 -1.582 1.00 40.21 H new ATOM 0 HB3 SER A 72 -2.111 5.070 -0.727 1.00 40.21 H new ATOM 0 HG SER A 72 -2.571 3.231 0.608 1.00 20.43 H new ATOM 1141 N GLY A 73 -5.260 6.420 -2.531 1.00 54.22 N ATOM 1142 CA GLY A 73 -5.941 7.664 -2.222 1.00 30.03 C ATOM 1143 C GLY A 73 -6.467 8.361 -3.461 1.00 20.02 C ATOM 1144 O GLY A 73 -7.340 9.223 -3.372 1.00 53.44 O ATOM 0 H GLY A 73 -5.568 5.965 -3.390 1.00 54.22 H new ATOM 0 HA2 GLY A 73 -6.770 7.462 -1.543 1.00 30.03 H new ATOM 0 HA3 GLY A 73 -5.255 8.330 -1.698 1.00 30.03 H new ATOM 1148 N ALA A 74 -5.933 7.988 -4.619 1.00 71.13 N ATOM 1149 CA ALA A 74 -6.354 8.583 -5.881 1.00 54.04 C ATOM 1150 C ALA A 74 -7.851 8.393 -6.106 1.00 23.24 C ATOM 1151 O ALA A 74 -8.542 7.804 -5.275 1.00 15.02 O ATOM 1152 CB ALA A 74 -5.565 7.984 -7.036 1.00 54.55 C ATOM 0 H ALA A 74 -5.208 7.276 -4.709 1.00 71.13 H new ATOM 0 HA ALA A 74 -6.153 9.653 -5.834 1.00 54.04 H new ATOM 0 HB1 ALA A 74 -5.890 8.438 -7.972 1.00 54.55 H new ATOM 0 HB2 ALA A 74 -4.502 8.176 -6.889 1.00 54.55 H new ATOM 0 HB3 ALA A 74 -5.737 6.908 -7.075 1.00 54.55 H new ATOM 1158 N ARG A 75 -8.344 8.895 -7.233 1.00 0.43 N ATOM 1159 CA ARG A 75 -9.759 8.782 -7.565 1.00 11.23 C ATOM 1160 C ARG A 75 -10.085 7.387 -8.089 1.00 65.22 C ATOM 1161 O ARG A 75 -9.195 6.552 -8.256 1.00 34.30 O ATOM 1162 CB ARG A 75 -10.146 9.833 -8.607 1.00 0.44 C ATOM 1163 CG ARG A 75 -9.576 9.560 -9.989 1.00 20.42 C ATOM 1164 CD ARG A 75 -10.139 10.521 -11.024 1.00 71.40 C ATOM 1165 NE ARG A 75 -11.599 10.552 -11.004 1.00 50.43 N ATOM 1166 CZ ARG A 75 -12.319 11.562 -11.481 1.00 4.33 C ATOM 1167 NH1 ARG A 75 -11.716 12.617 -12.012 1.00 13.44 N ATOM 1168 NH2 ARG A 75 -13.644 11.518 -11.427 1.00 63.30 N ATOM 0 H ARG A 75 -7.785 9.384 -7.932 1.00 0.43 H new ATOM 0 HA ARG A 75 -10.334 8.953 -6.655 1.00 11.23 H new ATOM 0 HB2 ARG A 75 -11.233 9.882 -8.675 1.00 0.44 H new ATOM 0 HB3 ARG A 75 -9.803 10.811 -8.269 1.00 0.44 H new ATOM 0 HG2 ARG A 75 -8.490 9.650 -9.960 1.00 20.42 H new ATOM 0 HG3 ARG A 75 -9.803 8.535 -10.281 1.00 20.42 H new ATOM 0 HD2 ARG A 75 -9.752 11.523 -10.837 1.00 71.40 H new ATOM 0 HD3 ARG A 75 -9.796 10.227 -12.016 1.00 71.40 H new ATOM 0 HE ARG A 75 -12.093 9.755 -10.602 1.00 50.43 H new ATOM 0 HH11 ARG A 75 -10.698 12.654 -12.055 1.00 13.44 H new ATOM 0 HH12 ARG A 75 -12.271 13.391 -12.378 1.00 13.44 H new ATOM 0 HH21 ARG A 75 -14.111 10.708 -11.019 1.00 63.30 H new ATOM 0 HH22 ARG A 75 -14.195 12.294 -11.793 1.00 63.30 H new ATOM 1182 N VAL A 76 -11.365 7.141 -8.347 1.00 72.20 N ATOM 1183 CA VAL A 76 -11.808 5.847 -8.853 1.00 14.20 C ATOM 1184 C VAL A 76 -12.009 5.888 -10.364 1.00 33.53 C ATOM 1185 O VAL A 76 -12.296 6.940 -10.935 1.00 51.41 O ATOM 1186 CB VAL A 76 -13.122 5.403 -8.183 1.00 72.21 C ATOM 1187 CG1 VAL A 76 -13.106 5.740 -6.700 1.00 32.01 C ATOM 1188 CG2 VAL A 76 -14.316 6.047 -8.872 1.00 4.31 C ATOM 0 H VAL A 76 -12.114 7.821 -8.214 1.00 72.20 H new ATOM 0 HA VAL A 76 -11.025 5.128 -8.613 1.00 14.20 H new ATOM 0 HB VAL A 76 -13.213 4.322 -8.284 1.00 72.21 H new ATOM 0 HG11 VAL A 76 -14.042 5.419 -6.244 1.00 32.01 H new ATOM 0 HG12 VAL A 76 -12.273 5.227 -6.219 1.00 32.01 H new ATOM 0 HG13 VAL A 76 -12.991 6.816 -6.573 1.00 32.01 H new ATOM 0 HG21 VAL A 76 -15.236 5.722 -8.385 1.00 4.31 H new ATOM 0 HG22 VAL A 76 -14.234 7.132 -8.804 1.00 4.31 H new ATOM 0 HG23 VAL A 76 -14.335 5.749 -9.920 1.00 4.31 H new ATOM 1198 N LEU A 77 -11.858 4.735 -11.006 1.00 24.30 N ATOM 1199 CA LEU A 77 -12.023 4.637 -12.452 1.00 70.11 C ATOM 1200 C LEU A 77 -13.392 5.156 -12.880 1.00 31.21 C ATOM 1201 O LEU A 77 -14.401 4.891 -12.225 1.00 52.52 O ATOM 1202 CB LEU A 77 -11.849 3.187 -12.908 1.00 40.33 C ATOM 1203 CG LEU A 77 -10.523 2.522 -12.539 1.00 22.14 C ATOM 1204 CD1 LEU A 77 -10.500 1.077 -13.013 1.00 42.33 C ATOM 1205 CD2 LEU A 77 -9.354 3.298 -13.129 1.00 31.25 C ATOM 0 H LEU A 77 -11.622 3.855 -10.548 1.00 24.30 H new ATOM 0 HA LEU A 77 -11.258 5.254 -12.923 1.00 70.11 H new ATOM 0 HB2 LEU A 77 -12.660 2.594 -12.485 1.00 40.33 H new ATOM 0 HB3 LEU A 77 -11.961 3.152 -13.992 1.00 40.33 H new ATOM 0 HG LEU A 77 -10.426 2.528 -11.453 1.00 22.14 H new ATOM 0 HD11 LEU A 77 -9.548 0.620 -12.741 1.00 42.33 H new ATOM 0 HD12 LEU A 77 -11.314 0.527 -12.542 1.00 42.33 H new ATOM 0 HD13 LEU A 77 -10.621 1.047 -14.096 1.00 42.33 H new ATOM 0 HD21 LEU A 77 -8.418 2.810 -12.856 1.00 31.25 H new ATOM 0 HD22 LEU A 77 -9.446 3.325 -14.215 1.00 31.25 H new ATOM 0 HD23 LEU A 77 -9.359 4.316 -12.739 1.00 31.25 H new ATOM 1217 N THR A 78 -13.421 5.895 -13.985 1.00 24.23 N ATOM 1218 CA THR A 78 -14.665 6.450 -14.501 1.00 73.21 C ATOM 1219 C THR A 78 -15.488 5.384 -15.216 1.00 44.04 C ATOM 1220 O THR A 78 -15.105 4.215 -15.258 1.00 3.32 O ATOM 1221 CB THR A 78 -14.400 7.615 -15.473 1.00 12.55 C ATOM 1222 OG1 THR A 78 -15.641 8.177 -15.915 1.00 33.53 O ATOM 1223 CG2 THR A 78 -13.594 7.146 -16.674 1.00 24.02 C ATOM 0 H THR A 78 -12.596 6.123 -14.540 1.00 24.23 H new ATOM 0 HA THR A 78 -15.225 6.822 -13.643 1.00 73.21 H new ATOM 0 HB THR A 78 -13.825 8.375 -14.944 1.00 12.55 H new ATOM 0 HG1 THR A 78 -16.191 8.407 -15.137 1.00 33.53 H new ATOM 0 HG21 THR A 78 -13.420 7.986 -17.346 1.00 24.02 H new ATOM 0 HG22 THR A 78 -12.638 6.747 -16.337 1.00 24.02 H new ATOM 0 HG23 THR A 78 -14.146 6.368 -17.202 1.00 24.02 H new ATOM 1231 N ALA A 79 -16.619 5.795 -15.779 1.00 51.23 N ATOM 1232 CA ALA A 79 -17.494 4.875 -16.496 1.00 11.52 C ATOM 1233 C ALA A 79 -16.865 4.433 -17.813 1.00 13.03 C ATOM 1234 O ALA A 79 -17.383 3.546 -18.491 1.00 43.04 O ATOM 1235 CB ALA A 79 -18.848 5.522 -16.746 1.00 52.43 C ATOM 0 H ALA A 79 -16.951 6.759 -15.753 1.00 51.23 H new ATOM 0 HA ALA A 79 -17.636 3.989 -15.876 1.00 11.52 H new ATOM 0 HB1 ALA A 79 -19.491 4.824 -17.282 1.00 52.43 H new ATOM 0 HB2 ALA A 79 -19.309 5.781 -15.793 1.00 52.43 H new ATOM 0 HB3 ALA A 79 -18.715 6.425 -17.342 1.00 52.43 H new ATOM 1241 N SER A 80 -15.747 5.057 -18.168 1.00 50.34 N ATOM 1242 CA SER A 80 -15.050 4.731 -19.407 1.00 31.30 C ATOM 1243 C SER A 80 -13.711 4.061 -19.116 1.00 64.12 C ATOM 1244 O SER A 80 -13.020 3.609 -20.029 1.00 0.11 O ATOM 1245 CB SER A 80 -14.831 5.994 -20.242 1.00 70.20 C ATOM 1246 OG SER A 80 -14.161 5.694 -21.454 1.00 71.12 O ATOM 0 H SER A 80 -15.304 5.791 -17.616 1.00 50.34 H new ATOM 0 HA SER A 80 -15.670 4.035 -19.972 1.00 31.30 H new ATOM 0 HB2 SER A 80 -15.792 6.461 -20.460 1.00 70.20 H new ATOM 0 HB3 SER A 80 -14.248 6.716 -19.670 1.00 70.20 H new ATOM 0 HG SER A 80 -13.550 4.941 -21.312 1.00 71.12 H new ATOM 1252 N GLU A 81 -13.351 4.001 -17.838 1.00 1.42 N ATOM 1253 CA GLU A 81 -12.094 3.388 -17.426 1.00 63.23 C ATOM 1254 C GLU A 81 -12.308 1.935 -17.011 1.00 63.14 C ATOM 1255 O GLU A 81 -11.754 1.016 -17.616 1.00 70.11 O ATOM 1256 CB GLU A 81 -11.471 4.173 -16.270 1.00 53.53 C ATOM 1257 CG GLU A 81 -10.758 5.441 -16.710 1.00 55.20 C ATOM 1258 CD GLU A 81 -9.419 5.161 -17.364 1.00 33.44 C ATOM 1259 OE1 GLU A 81 -9.243 4.049 -17.904 1.00 34.31 O ATOM 1260 OE2 GLU A 81 -8.547 6.054 -17.335 1.00 21.04 O ATOM 0 H GLU A 81 -13.912 4.369 -17.070 1.00 1.42 H new ATOM 0 HA GLU A 81 -11.414 3.409 -18.277 1.00 63.23 H new ATOM 0 HB2 GLU A 81 -12.253 4.435 -15.557 1.00 53.53 H new ATOM 0 HB3 GLU A 81 -10.763 3.531 -15.746 1.00 53.53 H new ATOM 0 HG2 GLU A 81 -11.392 5.986 -17.409 1.00 55.20 H new ATOM 0 HG3 GLU A 81 -10.608 6.087 -15.845 1.00 55.20 H new ATOM 1267 N THR A 82 -13.115 1.734 -15.974 1.00 41.53 N ATOM 1268 CA THR A 82 -13.401 0.395 -15.476 1.00 53.04 C ATOM 1269 C THR A 82 -13.830 -0.532 -16.608 1.00 21.21 C ATOM 1270 O THR A 82 -13.333 -1.652 -16.729 1.00 43.13 O ATOM 1271 CB THR A 82 -14.505 0.419 -14.402 1.00 3.22 C ATOM 1272 OG1 THR A 82 -15.145 1.700 -14.386 1.00 2.05 O ATOM 1273 CG2 THR A 82 -13.928 0.117 -13.027 1.00 1.30 C ATOM 0 H THR A 82 -13.582 2.483 -15.463 1.00 41.53 H new ATOM 0 HA THR A 82 -12.479 0.020 -15.031 1.00 53.04 H new ATOM 0 HB THR A 82 -15.238 -0.349 -14.648 1.00 3.22 H new ATOM 0 HG1 THR A 82 -15.846 1.707 -13.702 1.00 2.05 H new ATOM 0 HG21 THR A 82 -14.726 0.139 -12.285 1.00 1.30 H new ATOM 0 HG22 THR A 82 -13.467 -0.871 -13.035 1.00 1.30 H new ATOM 0 HG23 THR A 82 -13.177 0.866 -12.775 1.00 1.30 H new ATOM 1281 N LYS A 83 -14.755 -0.059 -17.436 1.00 35.24 N ATOM 1282 CA LYS A 83 -15.251 -0.845 -18.560 1.00 4.32 C ATOM 1283 C LYS A 83 -14.095 -1.410 -19.379 1.00 60.42 C ATOM 1284 O LYS A 83 -14.012 -2.618 -19.605 1.00 34.21 O ATOM 1285 CB LYS A 83 -16.150 0.014 -19.452 1.00 1.11 C ATOM 1286 CG LYS A 83 -17.616 -0.027 -19.057 1.00 61.10 C ATOM 1287 CD LYS A 83 -18.517 0.362 -20.217 1.00 10.00 C ATOM 1288 CE LYS A 83 -18.885 -0.845 -21.066 1.00 35.12 C ATOM 1289 NZ LYS A 83 -20.065 -0.574 -21.933 1.00 35.22 N ATOM 0 H LYS A 83 -15.177 0.866 -17.350 1.00 35.24 H new ATOM 0 HA LYS A 83 -15.833 -1.677 -18.162 1.00 4.32 H new ATOM 0 HB2 LYS A 83 -15.802 1.046 -19.418 1.00 1.11 H new ATOM 0 HB3 LYS A 83 -16.051 -0.322 -20.484 1.00 1.11 H new ATOM 0 HG2 LYS A 83 -17.874 -1.029 -18.715 1.00 61.10 H new ATOM 0 HG3 LYS A 83 -17.787 0.649 -18.219 1.00 61.10 H new ATOM 0 HD2 LYS A 83 -19.424 0.829 -19.834 1.00 10.00 H new ATOM 0 HD3 LYS A 83 -18.014 1.104 -20.837 1.00 10.00 H new ATOM 0 HE2 LYS A 83 -18.034 -1.125 -21.687 1.00 35.12 H new ATOM 0 HE3 LYS A 83 -19.099 -1.694 -20.417 1.00 35.12 H new ATOM 0 HZ1 LYS A 83 -20.284 -1.421 -22.496 1.00 35.22 H new ATOM 0 HZ2 LYS A 83 -20.884 -0.332 -21.339 1.00 35.22 H new ATOM 0 HZ3 LYS A 83 -19.852 0.220 -22.570 1.00 35.22 H new ATOM 1303 N THR A 84 -13.202 -0.530 -19.822 1.00 14.02 N ATOM 1304 CA THR A 84 -12.052 -0.942 -20.615 1.00 45.45 C ATOM 1305 C THR A 84 -11.290 -2.073 -19.934 1.00 2.50 C ATOM 1306 O THR A 84 -11.082 -3.135 -20.519 1.00 61.54 O ATOM 1307 CB THR A 84 -11.089 0.235 -20.861 1.00 42.43 C ATOM 1308 OG1 THR A 84 -11.811 1.361 -21.373 1.00 34.12 O ATOM 1309 CG2 THR A 84 -9.993 -0.157 -21.840 1.00 63.43 C ATOM 0 H THR A 84 -13.254 0.473 -19.644 1.00 14.02 H new ATOM 0 HA THR A 84 -12.438 -1.293 -21.572 1.00 45.45 H new ATOM 0 HB THR A 84 -10.627 0.501 -19.910 1.00 42.43 H new ATOM 0 HG1 THR A 84 -12.071 1.947 -20.632 1.00 34.12 H new ATOM 0 HG21 THR A 84 -9.326 0.690 -21.998 1.00 63.43 H new ATOM 0 HG22 THR A 84 -9.426 -0.995 -21.435 1.00 63.43 H new ATOM 0 HG23 THR A 84 -10.441 -0.448 -22.790 1.00 63.43 H new ATOM 1317 N PHE A 85 -10.876 -1.837 -18.693 1.00 70.52 N ATOM 1318 CA PHE A 85 -10.136 -2.837 -17.932 1.00 35.34 C ATOM 1319 C PHE A 85 -10.870 -4.175 -17.934 1.00 71.23 C ATOM 1320 O PHE A 85 -10.262 -5.230 -18.123 1.00 41.41 O ATOM 1321 CB PHE A 85 -9.927 -2.361 -16.493 1.00 4.21 C ATOM 1322 CG PHE A 85 -8.822 -3.084 -15.777 1.00 30.21 C ATOM 1323 CD1 PHE A 85 -8.990 -4.395 -15.361 1.00 34.12 C ATOM 1324 CD2 PHE A 85 -7.615 -2.454 -15.521 1.00 12.45 C ATOM 1325 CE1 PHE A 85 -7.976 -5.063 -14.701 1.00 42.42 C ATOM 1326 CE2 PHE A 85 -6.597 -3.116 -14.862 1.00 22.34 C ATOM 1327 CZ PHE A 85 -6.777 -4.423 -14.452 1.00 52.03 C ATOM 0 H PHE A 85 -11.040 -0.963 -18.194 1.00 70.52 H new ATOM 0 HA PHE A 85 -9.165 -2.974 -18.408 1.00 35.34 H new ATOM 0 HB2 PHE A 85 -9.707 -1.293 -16.500 1.00 4.21 H new ATOM 0 HB3 PHE A 85 -10.856 -2.491 -15.937 1.00 4.21 H new ATOM 0 HD1 PHE A 85 -9.924 -4.901 -15.555 1.00 34.12 H new ATOM 0 HD2 PHE A 85 -7.468 -1.433 -15.840 1.00 12.45 H new ATOM 0 HE1 PHE A 85 -8.121 -6.084 -14.380 1.00 42.42 H new ATOM 0 HE2 PHE A 85 -5.662 -2.612 -14.668 1.00 22.34 H new ATOM 0 HZ PHE A 85 -5.982 -4.943 -13.938 1.00 52.03 H new ATOM 1337 N LEU A 86 -12.181 -4.125 -17.723 1.00 4.31 N ATOM 1338 CA LEU A 86 -12.999 -5.332 -17.700 1.00 71.11 C ATOM 1339 C LEU A 86 -13.076 -5.964 -19.086 1.00 53.13 C ATOM 1340 O LEU A 86 -13.300 -7.167 -19.219 1.00 51.45 O ATOM 1341 CB LEU A 86 -14.406 -5.009 -17.195 1.00 54.45 C ATOM 1342 CG LEU A 86 -15.338 -6.204 -16.992 1.00 23.12 C ATOM 1343 CD1 LEU A 86 -15.101 -6.839 -15.630 1.00 60.34 C ATOM 1344 CD2 LEU A 86 -16.791 -5.779 -17.138 1.00 55.33 C ATOM 0 H LEU A 86 -12.700 -3.261 -17.565 1.00 4.31 H new ATOM 0 HA LEU A 86 -12.531 -6.045 -17.021 1.00 71.11 H new ATOM 0 HB2 LEU A 86 -14.317 -4.478 -16.247 1.00 54.45 H new ATOM 0 HB3 LEU A 86 -14.875 -4.324 -17.901 1.00 54.45 H new ATOM 0 HG LEU A 86 -15.119 -6.946 -17.760 1.00 23.12 H new ATOM 0 HD11 LEU A 86 -15.773 -7.688 -15.502 1.00 60.34 H new ATOM 0 HD12 LEU A 86 -14.068 -7.180 -15.562 1.00 60.34 H new ATOM 0 HD13 LEU A 86 -15.292 -6.104 -14.848 1.00 60.34 H new ATOM 0 HD21 LEU A 86 -17.439 -6.643 -16.990 1.00 55.33 H new ATOM 0 HD22 LEU A 86 -17.024 -5.018 -16.393 1.00 55.33 H new ATOM 0 HD23 LEU A 86 -16.952 -5.371 -18.136 1.00 55.33 H new ATOM 1356 N ALA A 87 -12.887 -5.145 -20.116 1.00 13.34 N ATOM 1357 CA ALA A 87 -12.931 -5.624 -21.491 1.00 73.15 C ATOM 1358 C ALA A 87 -11.556 -6.093 -21.954 1.00 21.24 C ATOM 1359 O ALA A 87 -11.389 -6.532 -23.091 1.00 73.30 O ATOM 1360 CB ALA A 87 -13.457 -4.534 -22.414 1.00 4.24 C ATOM 0 H ALA A 87 -12.702 -4.146 -20.023 1.00 13.34 H new ATOM 0 HA ALA A 87 -13.609 -6.477 -21.530 1.00 73.15 H new ATOM 0 HB1 ALA A 87 -13.484 -4.906 -23.438 1.00 4.24 H new ATOM 0 HB2 ALA A 87 -14.463 -4.249 -22.105 1.00 4.24 H new ATOM 0 HB3 ALA A 87 -12.801 -3.665 -22.361 1.00 4.24 H new ATOM 1366 N ALA A 88 -10.573 -5.996 -21.064 1.00 71.51 N ATOM 1367 CA ALA A 88 -9.212 -6.412 -21.381 1.00 35.31 C ATOM 1368 C ALA A 88 -8.763 -7.555 -20.477 1.00 32.21 C ATOM 1369 O ALA A 88 -7.803 -8.261 -20.784 1.00 31.22 O ATOM 1370 CB ALA A 88 -8.258 -5.233 -21.258 1.00 73.54 C ATOM 0 H ALA A 88 -10.694 -5.633 -20.118 1.00 71.51 H new ATOM 0 HA ALA A 88 -9.198 -6.771 -22.410 1.00 35.31 H new ATOM 0 HB1 ALA A 88 -7.245 -5.558 -21.497 1.00 73.54 H new ATOM 0 HB2 ALA A 88 -8.560 -4.447 -21.950 1.00 73.54 H new ATOM 0 HB3 ALA A 88 -8.284 -4.849 -20.238 1.00 73.54 H new ATOM 1376 N ALA A 89 -9.463 -7.731 -19.361 1.00 33.10 N ATOM 1377 CA ALA A 89 -9.137 -8.789 -18.413 1.00 62.21 C ATOM 1378 C ALA A 89 -10.370 -9.618 -18.069 1.00 41.30 C ATOM 1379 O ALA A 89 -10.264 -10.685 -17.466 1.00 3.40 O ATOM 1380 CB ALA A 89 -8.527 -8.197 -17.151 1.00 30.50 C ATOM 0 H ALA A 89 -10.260 -7.154 -19.091 1.00 33.10 H new ATOM 0 HA ALA A 89 -8.407 -9.450 -18.881 1.00 62.21 H new ATOM 0 HB1 ALA A 89 -8.288 -8.998 -16.452 1.00 30.50 H new ATOM 0 HB2 ALA A 89 -7.616 -7.655 -17.407 1.00 30.50 H new ATOM 0 HB3 ALA A 89 -9.239 -7.513 -16.689 1.00 30.50 H new ATOM 1386 N ASP A 90 -11.539 -9.119 -18.456 1.00 13.50 N ATOM 1387 CA ASP A 90 -12.793 -9.813 -18.187 1.00 13.32 C ATOM 1388 C ASP A 90 -13.668 -9.860 -19.436 1.00 11.31 C ATOM 1389 O ASP A 90 -14.890 -9.980 -19.347 1.00 34.11 O ATOM 1390 CB ASP A 90 -13.548 -9.124 -17.048 1.00 3.40 C ATOM 1391 CG ASP A 90 -14.916 -9.730 -16.813 1.00 11.15 C ATOM 1392 OD1 ASP A 90 -14.944 -10.920 -16.225 1.00 34.25 O ATOM 1393 OD2 ASP A 90 -15.938 -9.134 -17.155 1.00 22.20 O ATOM 0 H ASP A 90 -11.644 -8.237 -18.957 1.00 13.50 H new ATOM 0 HA ASP A 90 -12.557 -10.835 -17.891 1.00 13.32 H new ATOM 0 HB2 ASP A 90 -12.961 -9.193 -16.132 1.00 3.40 H new ATOM 0 HB3 ASP A 90 -13.658 -8.064 -17.277 1.00 3.40 H new ATOM 1398 N HIS A 91 -13.034 -9.764 -20.600 1.00 65.41 N ATOM 1399 CA HIS A 91 -13.753 -9.797 -21.868 1.00 75.32 C ATOM 1400 C HIS A 91 -14.726 -10.972 -21.910 1.00 54.23 C ATOM 1401 O HIS A 91 -15.614 -11.025 -22.762 1.00 22.10 O ATOM 1402 CB HIS A 91 -12.770 -9.893 -23.035 1.00 0.41 C ATOM 1403 CG HIS A 91 -13.173 -9.079 -24.226 1.00 1.20 C ATOM 1404 ND1 HIS A 91 -12.263 -8.506 -25.089 1.00 4.44 N ATOM 1405 CD2 HIS A 91 -14.397 -8.745 -24.697 1.00 11.21 C ATOM 1406 CE1 HIS A 91 -12.909 -7.853 -26.038 1.00 14.34 C ATOM 1407 NE2 HIS A 91 -14.206 -7.983 -25.823 1.00 52.31 N ATOM 0 H HIS A 91 -12.023 -9.663 -20.691 1.00 65.41 H new ATOM 0 HA HIS A 91 -14.322 -8.872 -21.958 1.00 75.32 H new ATOM 0 HB2 HIS A 91 -11.786 -9.567 -22.698 1.00 0.41 H new ATOM 0 HB3 HIS A 91 -12.675 -10.937 -23.334 1.00 0.41 H new ATOM 0 HD2 HIS A 91 -15.347 -9.026 -24.267 1.00 11.21 H new ATOM 0 HE1 HIS A 91 -12.455 -7.306 -26.851 1.00 14.34 H new ATOM 0 HE2 HIS A 91 -14.946 -7.582 -26.400 1.00 52.31 H new ATOM 1415 N ASP A 92 -14.553 -11.911 -20.987 1.00 1.34 N ATOM 1416 CA ASP A 92 -15.416 -13.084 -20.918 1.00 23.40 C ATOM 1417 C ASP A 92 -16.863 -12.680 -20.653 1.00 63.41 C ATOM 1418 O ASP A 92 -17.795 -13.384 -21.040 1.00 40.43 O ATOM 1419 CB ASP A 92 -14.931 -14.037 -19.824 1.00 43.00 C ATOM 1420 CG ASP A 92 -14.643 -13.321 -18.519 1.00 30.31 C ATOM 1421 OD1 ASP A 92 -15.295 -12.291 -18.252 1.00 13.34 O ATOM 1422 OD2 ASP A 92 -13.765 -13.791 -17.765 1.00 60.31 O ATOM 0 H ASP A 92 -13.822 -11.883 -20.276 1.00 1.34 H new ATOM 0 HA ASP A 92 -15.371 -13.594 -21.880 1.00 23.40 H new ATOM 0 HB2 ASP A 92 -15.685 -14.805 -19.655 1.00 43.00 H new ATOM 0 HB3 ASP A 92 -14.028 -14.546 -20.163 1.00 43.00 H new ATOM 1427 N GLY A 93 -17.042 -11.542 -19.989 1.00 73.52 N ATOM 1428 CA GLY A 93 -18.378 -11.065 -19.683 1.00 31.33 C ATOM 1429 C GLY A 93 -18.881 -11.569 -18.345 1.00 30.45 C ATOM 1430 O GLY A 93 -20.034 -11.983 -18.223 1.00 71.30 O ATOM 0 H GLY A 93 -16.286 -10.942 -19.658 1.00 73.52 H new ATOM 0 HA2 GLY A 93 -18.380 -9.975 -19.681 1.00 31.33 H new ATOM 0 HA3 GLY A 93 -19.063 -11.384 -20.469 1.00 31.33 H new ATOM 1434 N ASP A 94 -18.014 -11.536 -17.338 1.00 75.32 N ATOM 1435 CA ASP A 94 -18.377 -11.994 -16.002 1.00 22.11 C ATOM 1436 C ASP A 94 -18.611 -10.811 -15.067 1.00 74.43 C ATOM 1437 O ASP A 94 -19.416 -10.890 -14.140 1.00 22.01 O ATOM 1438 CB ASP A 94 -17.281 -12.899 -15.435 1.00 15.41 C ATOM 1439 CG ASP A 94 -16.800 -13.926 -16.441 1.00 15.30 C ATOM 1440 OD1 ASP A 94 -17.534 -14.188 -17.417 1.00 21.43 O ATOM 1441 OD2 ASP A 94 -15.691 -14.467 -16.252 1.00 60.41 O ATOM 0 H ASP A 94 -17.056 -11.197 -17.422 1.00 75.32 H new ATOM 0 HA ASP A 94 -19.304 -12.563 -16.079 1.00 22.11 H new ATOM 0 HB2 ASP A 94 -16.438 -12.287 -15.114 1.00 15.41 H new ATOM 0 HB3 ASP A 94 -17.658 -13.411 -14.550 1.00 15.41 H new ATOM 1446 N GLY A 95 -17.902 -9.715 -15.318 1.00 63.33 N ATOM 1447 CA GLY A 95 -18.046 -8.532 -14.490 1.00 71.31 C ATOM 1448 C GLY A 95 -17.099 -8.534 -13.307 1.00 20.04 C ATOM 1449 O GLY A 95 -17.279 -7.772 -12.356 1.00 61.13 O ATOM 0 H GLY A 95 -17.230 -9.625 -16.080 1.00 63.33 H new ATOM 0 HA2 GLY A 95 -17.864 -7.644 -15.096 1.00 71.31 H new ATOM 0 HA3 GLY A 95 -19.073 -8.467 -14.130 1.00 71.31 H new ATOM 1453 N LYS A 96 -16.087 -9.393 -13.362 1.00 31.42 N ATOM 1454 CA LYS A 96 -15.107 -9.493 -12.287 1.00 14.44 C ATOM 1455 C LYS A 96 -13.802 -10.096 -12.794 1.00 62.31 C ATOM 1456 O LYS A 96 -13.808 -11.088 -13.524 1.00 33.21 O ATOM 1457 CB LYS A 96 -15.662 -10.341 -11.140 1.00 51.00 C ATOM 1458 CG LYS A 96 -16.083 -11.737 -11.565 1.00 24.32 C ATOM 1459 CD LYS A 96 -17.593 -11.854 -11.680 1.00 52.13 C ATOM 1460 CE LYS A 96 -18.194 -12.542 -10.464 1.00 2.31 C ATOM 1461 NZ LYS A 96 -19.447 -11.876 -10.013 1.00 33.21 N ATOM 0 H LYS A 96 -15.924 -10.031 -14.141 1.00 31.42 H new ATOM 0 HA LYS A 96 -14.903 -8.487 -11.921 1.00 14.44 H new ATOM 0 HB2 LYS A 96 -14.906 -10.421 -10.359 1.00 51.00 H new ATOM 0 HB3 LYS A 96 -16.519 -9.829 -10.703 1.00 51.00 H new ATOM 0 HG2 LYS A 96 -15.624 -11.980 -12.524 1.00 24.32 H new ATOM 0 HG3 LYS A 96 -15.715 -12.465 -10.842 1.00 24.32 H new ATOM 0 HD2 LYS A 96 -18.028 -10.861 -11.789 1.00 52.13 H new ATOM 0 HD3 LYS A 96 -17.848 -12.415 -12.579 1.00 52.13 H new ATOM 0 HE2 LYS A 96 -18.403 -13.585 -10.703 1.00 2.31 H new ATOM 0 HE3 LYS A 96 -17.469 -12.540 -9.650 1.00 2.31 H new ATOM 0 HZ1 LYS A 96 -19.826 -12.374 -9.182 1.00 33.21 H new ATOM 0 HZ2 LYS A 96 -19.243 -10.888 -9.761 1.00 33.21 H new ATOM 0 HZ3 LYS A 96 -20.148 -11.900 -10.780 1.00 33.21 H new ATOM 1475 N ILE A 97 -12.685 -9.493 -12.402 1.00 64.13 N ATOM 1476 CA ILE A 97 -11.372 -9.974 -12.816 1.00 11.40 C ATOM 1477 C ILE A 97 -10.927 -11.159 -11.965 1.00 54.45 C ATOM 1478 O ILE A 97 -11.255 -11.245 -10.783 1.00 4.23 O ATOM 1479 CB ILE A 97 -10.310 -8.862 -12.722 1.00 55.24 C ATOM 1480 CG1 ILE A 97 -10.745 -7.642 -13.538 1.00 3.04 C ATOM 1481 CG2 ILE A 97 -8.962 -9.375 -13.205 1.00 20.33 C ATOM 1482 CD1 ILE A 97 -10.873 -7.920 -15.019 1.00 43.41 C ATOM 0 H ILE A 97 -12.662 -8.671 -11.799 1.00 64.13 H new ATOM 0 HA ILE A 97 -11.465 -10.290 -13.855 1.00 11.40 H new ATOM 0 HB ILE A 97 -10.210 -8.562 -11.679 1.00 55.24 H new ATOM 0 HG12 ILE A 97 -11.703 -7.285 -13.160 1.00 3.04 H new ATOM 0 HG13 ILE A 97 -10.023 -6.839 -13.388 1.00 3.04 H new ATOM 0 HG21 ILE A 97 -8.222 -8.578 -13.133 1.00 20.33 H new ATOM 0 HG22 ILE A 97 -8.650 -10.217 -12.587 1.00 20.33 H new ATOM 0 HG23 ILE A 97 -9.046 -9.699 -14.242 1.00 20.33 H new ATOM 0 HD11 ILE A 97 -11.184 -7.011 -15.534 1.00 43.41 H new ATOM 0 HD12 ILE A 97 -9.911 -8.248 -15.412 1.00 43.41 H new ATOM 0 HD13 ILE A 97 -11.616 -8.701 -15.180 1.00 43.41 H new ATOM 1494 N GLY A 98 -10.177 -12.070 -12.577 1.00 31.53 N ATOM 1495 CA GLY A 98 -9.698 -13.238 -11.860 1.00 43.13 C ATOM 1496 C GLY A 98 -8.194 -13.404 -11.962 1.00 14.52 C ATOM 1497 O GLY A 98 -7.526 -12.646 -12.664 1.00 3.20 O ATOM 0 H GLY A 98 -9.893 -12.021 -13.555 1.00 31.53 H new ATOM 0 HA2 GLY A 98 -9.981 -13.158 -10.811 1.00 43.13 H new ATOM 0 HA3 GLY A 98 -10.187 -14.129 -12.255 1.00 43.13 H new ATOM 1501 N ALA A 99 -7.661 -14.396 -11.257 1.00 71.45 N ATOM 1502 CA ALA A 99 -6.227 -14.659 -11.272 1.00 35.13 C ATOM 1503 C ALA A 99 -5.836 -15.504 -12.479 1.00 51.35 C ATOM 1504 O ALA A 99 -4.691 -15.938 -12.599 1.00 41.33 O ATOM 1505 CB ALA A 99 -5.804 -15.349 -9.983 1.00 75.13 C ATOM 0 H ALA A 99 -8.200 -15.031 -10.668 1.00 71.45 H new ATOM 0 HA ALA A 99 -5.708 -13.703 -11.348 1.00 35.13 H new ATOM 0 HB1 ALA A 99 -4.731 -15.540 -10.007 1.00 75.13 H new ATOM 0 HB2 ALA A 99 -6.040 -14.708 -9.133 1.00 75.13 H new ATOM 0 HB3 ALA A 99 -6.338 -16.294 -9.884 1.00 75.13 H new ATOM 1511 N GLU A 100 -6.795 -15.733 -13.371 1.00 60.32 N ATOM 1512 CA GLU A 100 -6.549 -16.528 -14.569 1.00 11.12 C ATOM 1513 C GLU A 100 -6.752 -15.691 -15.828 1.00 55.24 C ATOM 1514 O GLU A 100 -6.375 -16.101 -16.926 1.00 14.15 O ATOM 1515 CB GLU A 100 -7.474 -17.746 -14.598 1.00 72.42 C ATOM 1516 CG GLU A 100 -6.987 -18.859 -15.512 1.00 1.45 C ATOM 1517 CD GLU A 100 -7.510 -20.222 -15.101 1.00 50.44 C ATOM 1518 OE1 GLU A 100 -8.465 -20.273 -14.298 1.00 51.42 O ATOM 1519 OE2 GLU A 100 -6.965 -21.236 -15.583 1.00 21.51 O ATOM 0 H GLU A 100 -7.748 -15.380 -13.287 1.00 60.32 H new ATOM 0 HA GLU A 100 -5.514 -16.868 -14.543 1.00 11.12 H new ATOM 0 HB2 GLU A 100 -7.577 -18.137 -13.586 1.00 72.42 H new ATOM 0 HB3 GLU A 100 -8.466 -17.431 -14.920 1.00 72.42 H new ATOM 0 HG2 GLU A 100 -7.299 -18.647 -16.535 1.00 1.45 H new ATOM 0 HG3 GLU A 100 -5.897 -18.876 -15.509 1.00 1.45 H new ATOM 1526 N GLU A 101 -7.352 -14.516 -15.661 1.00 22.02 N ATOM 1527 CA GLU A 101 -7.607 -13.622 -16.784 1.00 64.13 C ATOM 1528 C GLU A 101 -6.934 -12.270 -16.567 1.00 11.42 C ATOM 1529 O GLU A 101 -6.992 -11.389 -17.426 1.00 34.53 O ATOM 1530 CB GLU A 101 -9.112 -13.430 -16.981 1.00 2.14 C ATOM 1531 CG GLU A 101 -9.832 -12.949 -15.732 1.00 70.20 C ATOM 1532 CD GLU A 101 -11.340 -12.947 -15.893 1.00 2.42 C ATOM 1533 OE1 GLU A 101 -11.929 -14.045 -15.977 1.00 3.13 O ATOM 1534 OE2 GLU A 101 -11.931 -11.847 -15.935 1.00 63.51 O ATOM 0 H GLU A 101 -7.670 -14.162 -14.759 1.00 22.02 H new ATOM 0 HA GLU A 101 -7.186 -14.078 -17.680 1.00 64.13 H new ATOM 0 HB2 GLU A 101 -9.276 -12.712 -17.784 1.00 2.14 H new ATOM 0 HB3 GLU A 101 -9.551 -14.374 -17.303 1.00 2.14 H new ATOM 0 HG2 GLU A 101 -9.561 -13.588 -14.892 1.00 70.20 H new ATOM 0 HG3 GLU A 101 -9.495 -11.942 -15.488 1.00 70.20 H new ATOM 1541 N PHE A 102 -6.296 -12.112 -15.412 1.00 14.43 N ATOM 1542 CA PHE A 102 -5.614 -10.866 -15.079 1.00 61.53 C ATOM 1543 C PHE A 102 -4.281 -10.763 -15.816 1.00 33.45 C ATOM 1544 O PHE A 102 -4.098 -9.895 -16.668 1.00 24.10 O ATOM 1545 CB PHE A 102 -5.384 -10.774 -13.569 1.00 42.55 C ATOM 1546 CG PHE A 102 -4.643 -9.536 -13.151 1.00 52.41 C ATOM 1547 CD1 PHE A 102 -5.290 -8.312 -13.093 1.00 51.45 C ATOM 1548 CD2 PHE A 102 -3.300 -9.596 -12.815 1.00 15.12 C ATOM 1549 CE1 PHE A 102 -4.611 -7.171 -12.710 1.00 3.15 C ATOM 1550 CE2 PHE A 102 -2.616 -8.459 -12.430 1.00 1.53 C ATOM 1551 CZ PHE A 102 -3.272 -7.245 -12.376 1.00 54.30 C ATOM 0 H PHE A 102 -6.237 -12.831 -14.691 1.00 14.43 H new ATOM 0 HA PHE A 102 -6.248 -10.037 -15.394 1.00 61.53 H new ATOM 0 HB2 PHE A 102 -6.348 -10.800 -13.060 1.00 42.55 H new ATOM 0 HB3 PHE A 102 -4.826 -11.651 -13.240 1.00 42.55 H new ATOM 0 HD1 PHE A 102 -6.337 -8.249 -13.350 1.00 51.45 H new ATOM 0 HD2 PHE A 102 -2.782 -10.543 -12.855 1.00 15.12 H new ATOM 0 HE1 PHE A 102 -5.126 -6.223 -12.672 1.00 3.15 H new ATOM 0 HE2 PHE A 102 -1.569 -8.520 -12.171 1.00 1.53 H new ATOM 0 HZ PHE A 102 -2.740 -6.355 -12.073 1.00 54.30 H new ATOM 1561 N GLN A 103 -3.356 -11.656 -15.479 1.00 5.43 N ATOM 1562 CA GLN A 103 -2.040 -11.664 -16.107 1.00 25.44 C ATOM 1563 C GLN A 103 -2.162 -11.671 -17.627 1.00 23.22 C ATOM 1564 O GLN A 103 -1.358 -11.055 -18.326 1.00 12.23 O ATOM 1565 CB GLN A 103 -1.238 -12.881 -15.642 1.00 64.41 C ATOM 1566 CG GLN A 103 -1.910 -14.208 -15.954 1.00 34.41 C ATOM 1567 CD GLN A 103 -1.826 -15.191 -14.802 1.00 44.52 C ATOM 1568 OE1 GLN A 103 -1.393 -16.330 -14.974 1.00 24.42 O ATOM 1569 NE2 GLN A 103 -2.240 -14.753 -13.619 1.00 4.22 N ATOM 0 H GLN A 103 -3.493 -12.382 -14.776 1.00 5.43 H new ATOM 0 HA GLN A 103 -1.516 -10.756 -15.807 1.00 25.44 H new ATOM 0 HB2 GLN A 103 -0.256 -12.861 -16.115 1.00 64.41 H new ATOM 0 HB3 GLN A 103 -1.076 -12.809 -14.567 1.00 64.41 H new ATOM 0 HG2 GLN A 103 -2.957 -14.031 -16.200 1.00 34.41 H new ATOM 0 HG3 GLN A 103 -1.445 -14.648 -16.836 1.00 34.41 H new ATOM 0 HE21 GLN A 103 -2.592 -13.800 -13.522 1.00 4.22 H new ATOM 0 HE22 GLN A 103 -2.206 -15.369 -12.807 1.00 4.22 H new ATOM 1578 N GLU A 104 -3.172 -12.373 -18.131 1.00 40.33 N ATOM 1579 CA GLU A 104 -3.398 -12.460 -19.569 1.00 65.13 C ATOM 1580 C GLU A 104 -3.541 -11.070 -20.183 1.00 21.21 C ATOM 1581 O GLU A 104 -3.242 -10.866 -21.359 1.00 40.20 O ATOM 1582 CB GLU A 104 -4.649 -13.290 -19.862 1.00 61.52 C ATOM 1583 CG GLU A 104 -4.711 -14.593 -19.082 1.00 54.13 C ATOM 1584 CD GLU A 104 -5.755 -15.549 -19.626 1.00 61.23 C ATOM 1585 OE1 GLU A 104 -6.808 -15.073 -20.099 1.00 11.04 O ATOM 1586 OE2 GLU A 104 -5.518 -16.775 -19.580 1.00 5.54 O ATOM 0 H GLU A 104 -3.846 -12.889 -17.566 1.00 40.33 H new ATOM 0 HA GLU A 104 -2.533 -12.949 -20.017 1.00 65.13 H new ATOM 0 HB2 GLU A 104 -5.532 -12.695 -19.630 1.00 61.52 H new ATOM 0 HB3 GLU A 104 -4.686 -13.512 -20.928 1.00 61.52 H new ATOM 0 HG2 GLU A 104 -3.734 -15.075 -19.108 1.00 54.13 H new ATOM 0 HG3 GLU A 104 -4.932 -14.376 -18.037 1.00 54.13 H new ATOM 1593 N MET A 105 -4.001 -10.119 -19.377 1.00 50.22 N ATOM 1594 CA MET A 105 -4.184 -8.748 -19.840 1.00 63.13 C ATOM 1595 C MET A 105 -2.899 -7.943 -19.675 1.00 41.42 C ATOM 1596 O MET A 105 -2.741 -6.878 -20.272 1.00 41.34 O ATOM 1597 CB MET A 105 -5.323 -8.075 -19.073 1.00 34.33 C ATOM 1598 CG MET A 105 -4.875 -7.400 -17.787 1.00 24.43 C ATOM 1599 SD MET A 105 -4.766 -5.608 -17.945 1.00 11.54 S ATOM 1600 CE MET A 105 -6.478 -5.192 -18.268 1.00 11.14 C ATOM 0 H MET A 105 -4.254 -10.272 -18.401 1.00 50.22 H new ATOM 0 HA MET A 105 -4.439 -8.780 -20.899 1.00 63.13 H new ATOM 0 HB2 MET A 105 -5.795 -7.333 -19.717 1.00 34.33 H new ATOM 0 HB3 MET A 105 -6.081 -8.821 -18.837 1.00 34.33 H new ATOM 0 HG2 MET A 105 -5.574 -7.649 -16.988 1.00 24.43 H new ATOM 0 HG3 MET A 105 -3.902 -7.795 -17.494 1.00 24.43 H new ATOM 0 HE1 MET A 105 -6.566 -4.761 -19.265 1.00 11.14 H new ATOM 0 HE2 MET A 105 -7.089 -6.093 -18.207 1.00 11.14 H new ATOM 0 HE3 MET A 105 -6.823 -4.469 -17.528 1.00 11.14 H new ATOM 1610 N VAL A 106 -1.983 -8.458 -18.861 1.00 12.32 N ATOM 1611 CA VAL A 106 -0.712 -7.787 -18.618 1.00 1.41 C ATOM 1612 C VAL A 106 0.285 -8.076 -19.735 1.00 33.44 C ATOM 1613 O VAL A 106 0.509 -7.242 -20.611 1.00 2.33 O ATOM 1614 CB VAL A 106 -0.098 -8.217 -17.272 1.00 60.15 C ATOM 1615 CG1 VAL A 106 1.092 -7.336 -16.922 1.00 34.21 C ATOM 1616 CG2 VAL A 106 -1.146 -8.174 -16.171 1.00 74.50 C ATOM 0 H VAL A 106 -2.098 -9.338 -18.359 1.00 12.32 H new ATOM 0 HA VAL A 106 -0.920 -6.717 -18.589 1.00 1.41 H new ATOM 0 HB VAL A 106 0.256 -9.244 -17.365 1.00 60.15 H new ATOM 0 HG11 VAL A 106 1.513 -7.655 -15.968 1.00 34.21 H new ATOM 0 HG12 VAL A 106 1.850 -7.423 -17.700 1.00 34.21 H new ATOM 0 HG13 VAL A 106 0.767 -6.298 -16.847 1.00 34.21 H new ATOM 0 HG21 VAL A 106 -0.695 -8.481 -15.227 1.00 74.50 H new ATOM 0 HG22 VAL A 106 -1.532 -7.159 -16.076 1.00 74.50 H new ATOM 0 HG23 VAL A 106 -1.963 -8.851 -16.420 1.00 74.50 H new ATOM 1626 N GLN A 107 0.879 -9.265 -19.697 1.00 13.35 N ATOM 1627 CA GLN A 107 1.852 -9.664 -20.706 1.00 70.40 C ATOM 1628 C GLN A 107 1.191 -9.807 -22.073 1.00 40.01 C ATOM 1629 O GLN A 107 1.794 -9.498 -23.100 1.00 43.54 O ATOM 1630 CB GLN A 107 2.518 -10.983 -20.309 1.00 4.44 C ATOM 1631 CG GLN A 107 3.253 -10.916 -18.979 1.00 61.44 C ATOM 1632 CD GLN A 107 2.902 -12.070 -18.061 1.00 2.05 C ATOM 1633 OE1 GLN A 107 3.779 -12.805 -17.606 1.00 31.42 O ATOM 1634 NE2 GLN A 107 1.614 -12.235 -17.782 1.00 4.52 N ATOM 0 H GLN A 107 0.703 -9.968 -18.979 1.00 13.35 H new ATOM 0 HA GLN A 107 2.612 -8.885 -20.769 1.00 70.40 H new ATOM 0 HB2 GLN A 107 1.758 -11.763 -20.256 1.00 4.44 H new ATOM 0 HB3 GLN A 107 3.221 -11.275 -21.089 1.00 4.44 H new ATOM 0 HG2 GLN A 107 4.328 -10.915 -19.161 1.00 61.44 H new ATOM 0 HG3 GLN A 107 3.013 -9.976 -18.483 1.00 61.44 H new ATOM 0 HE21 GLN A 107 0.921 -11.602 -18.181 1.00 4.52 H new ATOM 0 HE22 GLN A 107 1.318 -12.994 -17.169 1.00 4.52 H new ATOM 1643 N SER A 108 -0.052 -10.278 -22.078 1.00 0.23 N ATOM 1644 CA SER A 108 -0.794 -10.466 -23.319 1.00 44.51 C ATOM 1645 C SER A 108 -1.958 -9.484 -23.410 1.00 35.43 C ATOM 1646 O SER A 108 -2.215 -8.906 -24.464 1.00 44.51 O ATOM 1647 CB SER A 108 -1.313 -11.901 -23.416 1.00 22.43 C ATOM 1648 OG SER A 108 -2.307 -12.018 -24.419 1.00 43.00 O ATOM 0 H SER A 108 -0.567 -10.536 -21.236 1.00 0.23 H new ATOM 0 HA SER A 108 -0.116 -10.276 -24.151 1.00 44.51 H new ATOM 0 HB2 SER A 108 -0.486 -12.576 -23.639 1.00 22.43 H new ATOM 0 HB3 SER A 108 -1.725 -12.208 -22.454 1.00 22.43 H new ATOM 0 HG SER A 108 -2.621 -12.945 -24.462 1.00 43.00 H new TER 1654 SER A 108 HETATM 1655 CA CA A 109 -14.043 -9.106 -4.771 1.00 54.44 CA HETATM 1656 CA CA A 110 -14.070 -12.806 -15.494 1.00 74.11 CA