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 111:sc= 0.54 USER MOD Set 1.2: A 103 GLN : amide:sc= -2.22 X(o=-1.7,f=-1.7) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 7 SER OG : rot 180:sc= -0.681 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 18 CYS SG : rot 88:sc= 0.689 USER MOD Single : A 19 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.516 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00413) USER MOD Single : A 31 GLN : amide:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 33 SER OG : rot -5:sc= -4.21! USER MOD Single : A 35 MET CE :methyl 162:sc= -0.143 (180deg=-0.691) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0333 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= -0.0157 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.816 F(o=-1.9!,f=-0.82) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.252 K(o=-0.25,f=-4.2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0437 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= -2.27 K(o=-2.3,f=-2.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 53:sc= 0.0148 USER MOD Single : A 80 SER OG : rot -32:sc= 0.51 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0751 USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= -0.013 (180deg=-0.976) USER MOD Single : A 84 THR OG1 : rot 85:sc= 0.276 USER MOD Single : A 91 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.056) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -175:sc= -4.89! (180deg=-4.96!) USER MOD Single : A 107 GLN : amide:sc= -1.75 X(o=-1.8,f=-1.8) USER MOD Single : A 108 SER OG : rot -39:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.888 0.201 -1.209 1.00 44.45 N ATOM 2 CA SER A 1 1.760 -0.066 -2.348 1.00 12.52 C ATOM 3 C SER A 1 2.374 -1.459 -2.247 1.00 52.51 C ATOM 4 O SER A 1 2.953 -1.822 -1.222 1.00 75.24 O ATOM 5 CB SER A 1 2.867 0.988 -2.428 1.00 33.43 C ATOM 6 OG SER A 1 3.295 1.177 -3.765 1.00 62.41 O ATOM 0 H1 SER A 1 0.481 1.154 -1.299 1.00 44.45 H new ATOM 0 H2 SER A 1 0.122 -0.502 -1.186 1.00 44.45 H new ATOM 0 H3 SER A 1 1.439 0.141 -0.329 1.00 44.45 H new ATOM 0 HA SER A 1 1.157 -0.019 -3.255 1.00 12.52 H new ATOM 0 HB2 SER A 1 2.504 1.932 -2.022 1.00 33.43 H new ATOM 0 HB3 SER A 1 3.712 0.680 -1.812 1.00 33.43 H new ATOM 0 HG SER A 1 4.001 1.856 -3.790 1.00 62.41 H new ATOM 12 N LEU A 2 2.244 -2.234 -3.318 1.00 35.24 N ATOM 13 CA LEU A 2 2.785 -3.588 -3.352 1.00 22.32 C ATOM 14 C LEU A 2 4.249 -3.600 -2.922 1.00 74.40 C ATOM 15 O LEU A 2 4.608 -4.221 -1.921 1.00 4.32 O ATOM 16 CB LEU A 2 2.649 -4.178 -4.757 1.00 5.32 C ATOM 17 CG LEU A 2 1.292 -3.989 -5.436 1.00 24.04 C ATOM 18 CD1 LEU A 2 0.186 -3.884 -4.397 1.00 42.33 C ATOM 19 CD2 LEU A 2 1.309 -2.756 -6.327 1.00 51.11 C ATOM 0 H LEU A 2 1.769 -1.948 -4.174 1.00 35.24 H new ATOM 0 HA LEU A 2 2.215 -4.199 -2.652 1.00 22.32 H new ATOM 0 HB2 LEU A 2 3.415 -3.733 -5.392 1.00 5.32 H new ATOM 0 HB3 LEU A 2 2.860 -5.246 -4.703 1.00 5.32 H new ATOM 0 HG LEU A 2 1.094 -4.860 -6.060 1.00 24.04 H new ATOM 0 HD11 LEU A 2 -0.773 -3.750 -4.898 1.00 42.33 H new ATOM 0 HD12 LEU A 2 0.159 -4.796 -3.801 1.00 42.33 H new ATOM 0 HD13 LEU A 2 0.378 -3.031 -3.746 1.00 42.33 H new ATOM 0 HD21 LEU A 2 0.335 -2.637 -6.802 1.00 51.11 H new ATOM 0 HD22 LEU A 2 1.529 -1.875 -5.724 1.00 51.11 H new ATOM 0 HD23 LEU A 2 2.075 -2.872 -7.094 1.00 51.11 H new ATOM 31 N THR A 3 5.090 -2.909 -3.685 1.00 11.13 N ATOM 32 CA THR A 3 6.514 -2.839 -3.383 1.00 10.02 C ATOM 33 C THR A 3 7.115 -4.233 -3.243 1.00 5.31 C ATOM 34 O THR A 3 8.150 -4.411 -2.599 1.00 72.04 O ATOM 35 CB THR A 3 6.775 -2.047 -2.088 1.00 24.13 C ATOM 36 OG1 THR A 3 5.536 -1.763 -1.429 1.00 3.23 O ATOM 37 CG2 THR A 3 7.507 -0.747 -2.387 1.00 33.14 C ATOM 0 H THR A 3 4.809 -2.390 -4.517 1.00 11.13 H new ATOM 0 HA THR A 3 6.990 -2.323 -4.217 1.00 10.02 H new ATOM 0 HB THR A 3 7.401 -2.656 -1.436 1.00 24.13 H new ATOM 0 HG1 THR A 3 5.711 -1.261 -0.606 1.00 3.23 H new ATOM 0 HG21 THR A 3 7.680 -0.205 -1.457 1.00 33.14 H new ATOM 0 HG22 THR A 3 8.463 -0.969 -2.861 1.00 33.14 H new ATOM 0 HG23 THR A 3 6.903 -0.135 -3.057 1.00 33.14 H new ATOM 45 N ASP A 4 6.462 -5.217 -3.850 1.00 21.43 N ATOM 46 CA ASP A 4 6.934 -6.596 -3.794 1.00 60.12 C ATOM 47 C ASP A 4 7.124 -7.162 -5.198 1.00 31.40 C ATOM 48 O ASP A 4 7.594 -8.288 -5.365 1.00 71.22 O ATOM 49 CB ASP A 4 5.949 -7.464 -3.010 1.00 14.22 C ATOM 50 CG ASP A 4 6.628 -8.626 -2.313 1.00 2.24 C ATOM 51 OD1 ASP A 4 7.648 -8.394 -1.630 1.00 22.21 O ATOM 52 OD2 ASP A 4 6.140 -9.767 -2.449 1.00 14.32 O ATOM 0 H ASP A 4 5.604 -5.086 -4.387 1.00 21.43 H new ATOM 0 HA ASP A 4 7.898 -6.604 -3.284 1.00 60.12 H new ATOM 0 HB2 ASP A 4 5.437 -6.849 -2.270 1.00 14.22 H new ATOM 0 HB3 ASP A 4 5.187 -7.847 -3.689 1.00 14.22 H new ATOM 57 N ILE A 5 6.755 -6.375 -6.203 1.00 34.42 N ATOM 58 CA ILE A 5 6.884 -6.799 -7.592 1.00 5.35 C ATOM 59 C ILE A 5 7.530 -5.709 -8.440 1.00 51.34 C ATOM 60 O ILE A 5 8.625 -5.889 -8.974 1.00 61.14 O ATOM 61 CB ILE A 5 5.517 -7.164 -8.199 1.00 22.53 C ATOM 62 CG1 ILE A 5 4.828 -8.235 -7.350 1.00 14.51 C ATOM 63 CG2 ILE A 5 5.686 -7.645 -9.632 1.00 71.23 C ATOM 64 CD1 ILE A 5 4.006 -7.668 -6.214 1.00 13.54 C ATOM 0 H ILE A 5 6.364 -5.441 -6.082 1.00 34.42 H new ATOM 0 HA ILE A 5 7.520 -7.684 -7.595 1.00 5.35 H new ATOM 0 HB ILE A 5 4.889 -6.273 -8.207 1.00 22.53 H new ATOM 0 HG12 ILE A 5 4.182 -8.835 -7.991 1.00 14.51 H new ATOM 0 HG13 ILE A 5 5.584 -8.905 -6.941 1.00 14.51 H new ATOM 0 HG21 ILE A 5 4.711 -7.899 -10.048 1.00 71.23 H new ATOM 0 HG22 ILE A 5 6.141 -6.855 -10.230 1.00 71.23 H new ATOM 0 HG23 ILE A 5 6.328 -8.526 -9.647 1.00 71.23 H new ATOM 0 HD11 ILE A 5 3.547 -8.483 -5.655 1.00 13.54 H new ATOM 0 HD12 ILE A 5 4.651 -7.091 -5.551 1.00 13.54 H new ATOM 0 HD13 ILE A 5 3.227 -7.020 -6.616 1.00 13.54 H new ATOM 76 N LEU A 6 6.845 -4.576 -8.560 1.00 23.53 N ATOM 77 CA LEU A 6 7.352 -3.455 -9.342 1.00 44.35 C ATOM 78 C LEU A 6 8.043 -2.433 -8.445 1.00 42.32 C ATOM 79 O LEU A 6 7.784 -2.372 -7.243 1.00 42.44 O ATOM 80 CB LEU A 6 6.211 -2.787 -10.111 1.00 42.52 C ATOM 81 CG LEU A 6 5.750 -3.500 -11.383 1.00 5.21 C ATOM 82 CD1 LEU A 6 4.351 -3.048 -11.771 1.00 62.22 C ATOM 83 CD2 LEU A 6 6.729 -3.247 -12.520 1.00 63.34 C ATOM 0 H LEU A 6 5.937 -4.410 -8.125 1.00 23.53 H new ATOM 0 HA LEU A 6 8.084 -3.841 -10.052 1.00 44.35 H new ATOM 0 HB2 LEU A 6 5.356 -2.692 -9.442 1.00 42.52 H new ATOM 0 HB3 LEU A 6 6.522 -1.777 -10.377 1.00 42.52 H new ATOM 0 HG LEU A 6 5.721 -4.572 -11.186 1.00 5.21 H new ATOM 0 HD11 LEU A 6 4.040 -3.566 -12.678 1.00 62.22 H new ATOM 0 HD12 LEU A 6 3.656 -3.281 -10.964 1.00 62.22 H new ATOM 0 HD13 LEU A 6 4.352 -1.973 -11.949 1.00 62.22 H new ATOM 0 HD21 LEU A 6 6.385 -3.762 -13.417 1.00 63.34 H new ATOM 0 HD22 LEU A 6 6.790 -2.177 -12.716 1.00 63.34 H new ATOM 0 HD23 LEU A 6 7.714 -3.621 -12.242 1.00 63.34 H new ATOM 95 N SER A 7 8.922 -1.631 -9.038 1.00 13.50 N ATOM 96 CA SER A 7 9.651 -0.612 -8.292 1.00 41.31 C ATOM 97 C SER A 7 8.762 0.596 -8.010 1.00 62.22 C ATOM 98 O SER A 7 7.734 0.806 -8.654 1.00 61.02 O ATOM 99 CB SER A 7 10.895 -0.174 -9.068 1.00 54.32 C ATOM 100 OG SER A 7 12.077 -0.465 -8.344 1.00 20.44 O ATOM 0 H SER A 7 9.146 -1.667 -10.032 1.00 13.50 H new ATOM 0 HA SER A 7 9.959 -1.045 -7.340 1.00 41.31 H new ATOM 0 HB2 SER A 7 10.922 -0.680 -10.033 1.00 54.32 H new ATOM 0 HB3 SER A 7 10.843 0.896 -9.270 1.00 54.32 H new ATOM 0 HG SER A 7 12.857 -0.177 -8.862 1.00 20.44 H new ATOM 106 N PRO A 8 9.167 1.410 -7.024 1.00 35.34 N ATOM 107 CA PRO A 8 8.422 2.611 -6.633 1.00 62.40 C ATOM 108 C PRO A 8 8.487 3.704 -7.694 1.00 64.31 C ATOM 109 O PRO A 8 7.464 4.267 -8.083 1.00 31.52 O ATOM 110 CB PRO A 8 9.128 3.065 -5.353 1.00 64.02 C ATOM 111 CG PRO A 8 10.510 2.520 -5.469 1.00 42.53 C ATOM 112 CD PRO A 8 10.382 1.220 -6.214 1.00 12.41 C ATOM 0 HA PRO A 8 7.360 2.407 -6.500 1.00 62.40 H new ATOM 0 HB2 PRO A 8 9.137 4.152 -5.270 1.00 64.02 H new ATOM 0 HB3 PRO A 8 8.624 2.681 -4.466 1.00 64.02 H new ATOM 0 HG2 PRO A 8 11.159 3.214 -6.003 1.00 42.53 H new ATOM 0 HG3 PRO A 8 10.952 2.364 -4.485 1.00 42.53 H new ATOM 0 HD2 PRO A 8 11.255 1.027 -6.838 1.00 12.41 H new ATOM 0 HD3 PRO A 8 10.283 0.375 -5.533 1.00 12.41 H new ATOM 120 N SER A 9 9.697 3.999 -8.159 1.00 51.23 N ATOM 121 CA SER A 9 9.896 5.028 -9.174 1.00 34.23 C ATOM 122 C SER A 9 9.016 4.766 -10.392 1.00 71.14 C ATOM 123 O SER A 9 8.357 5.672 -10.902 1.00 53.22 O ATOM 124 CB SER A 9 11.366 5.082 -9.594 1.00 14.41 C ATOM 125 OG SER A 9 11.804 3.825 -10.079 1.00 4.32 O ATOM 0 H SER A 9 10.554 3.540 -7.849 1.00 51.23 H new ATOM 0 HA SER A 9 9.613 5.989 -8.743 1.00 34.23 H new ATOM 0 HB2 SER A 9 11.499 5.840 -10.366 1.00 14.41 H new ATOM 0 HB3 SER A 9 11.980 5.381 -8.744 1.00 14.41 H new ATOM 0 HG SER A 9 12.746 3.886 -10.342 1.00 4.32 H new ATOM 131 N ASP A 10 9.012 3.520 -10.854 1.00 55.41 N ATOM 132 CA ASP A 10 8.213 3.137 -12.012 1.00 53.14 C ATOM 133 C ASP A 10 6.735 3.430 -11.774 1.00 54.12 C ATOM 134 O ASP A 10 6.008 3.797 -12.698 1.00 71.11 O ATOM 135 CB ASP A 10 8.407 1.652 -12.324 1.00 42.41 C ATOM 136 CG ASP A 10 9.791 1.351 -12.865 1.00 71.14 C ATOM 137 OD1 ASP A 10 10.637 2.269 -12.876 1.00 15.54 O ATOM 138 OD2 ASP A 10 10.028 0.197 -13.280 1.00 32.33 O ATOM 0 H ASP A 10 9.553 2.759 -10.444 1.00 55.41 H new ATOM 0 HA ASP A 10 8.549 3.727 -12.865 1.00 53.14 H new ATOM 0 HB2 ASP A 10 8.239 1.068 -11.419 1.00 42.41 H new ATOM 0 HB3 ASP A 10 7.659 1.336 -13.051 1.00 42.41 H new ATOM 143 N ILE A 11 6.297 3.265 -10.531 1.00 30.24 N ATOM 144 CA ILE A 11 4.906 3.512 -10.172 1.00 30.33 C ATOM 145 C ILE A 11 4.625 5.006 -10.056 1.00 0.03 C ATOM 146 O ILE A 11 3.697 5.524 -10.677 1.00 24.50 O ATOM 147 CB ILE A 11 4.537 2.827 -8.842 1.00 65.24 C ATOM 148 CG1 ILE A 11 4.601 1.305 -8.992 1.00 44.54 C ATOM 149 CG2 ILE A 11 3.152 3.262 -8.389 1.00 21.04 C ATOM 150 CD1 ILE A 11 5.000 0.589 -7.721 1.00 43.22 C ATOM 0 H ILE A 11 6.885 2.961 -9.755 1.00 30.24 H new ATOM 0 HA ILE A 11 4.295 3.091 -10.970 1.00 30.33 H new ATOM 0 HB ILE A 11 5.258 3.129 -8.082 1.00 65.24 H new ATOM 0 HG12 ILE A 11 3.627 0.939 -9.315 1.00 44.54 H new ATOM 0 HG13 ILE A 11 5.313 1.055 -9.779 1.00 44.54 H new ATOM 0 HG21 ILE A 11 2.906 2.770 -7.448 1.00 21.04 H new ATOM 0 HG22 ILE A 11 3.138 4.343 -8.248 1.00 21.04 H new ATOM 0 HG23 ILE A 11 2.418 2.986 -9.146 1.00 21.04 H new ATOM 0 HD11 ILE A 11 5.025 -0.486 -7.901 1.00 43.22 H new ATOM 0 HD12 ILE A 11 5.988 0.927 -7.408 1.00 43.22 H new ATOM 0 HD13 ILE A 11 4.276 0.809 -6.937 1.00 43.22 H new ATOM 162 N ALA A 12 5.434 5.694 -9.257 1.00 41.41 N ATOM 163 CA ALA A 12 5.275 7.130 -9.063 1.00 2.25 C ATOM 164 C ALA A 12 5.363 7.877 -10.389 1.00 74.13 C ATOM 165 O ALA A 12 4.859 8.992 -10.519 1.00 11.21 O ATOM 166 CB ALA A 12 6.325 7.651 -8.092 1.00 31.43 C ATOM 0 H ALA A 12 6.206 5.280 -8.734 1.00 41.41 H new ATOM 0 HA ALA A 12 4.285 7.306 -8.641 1.00 2.25 H new ATOM 0 HB1 ALA A 12 6.194 8.725 -7.957 1.00 31.43 H new ATOM 0 HB2 ALA A 12 6.214 7.148 -7.131 1.00 31.43 H new ATOM 0 HB3 ALA A 12 7.320 7.454 -8.492 1.00 31.43 H new ATOM 172 N ALA A 13 6.006 7.255 -11.372 1.00 34.31 N ATOM 173 CA ALA A 13 6.158 7.860 -12.689 1.00 55.31 C ATOM 174 C ALA A 13 4.946 7.572 -13.569 1.00 60.40 C ATOM 175 O ALA A 13 4.609 8.357 -14.455 1.00 24.41 O ATOM 176 CB ALA A 13 7.429 7.359 -13.357 1.00 61.51 C ATOM 0 H ALA A 13 6.430 6.332 -11.281 1.00 34.31 H new ATOM 0 HA ALA A 13 6.231 8.940 -12.559 1.00 55.31 H new ATOM 0 HB1 ALA A 13 7.529 7.819 -14.340 1.00 61.51 H new ATOM 0 HB2 ALA A 13 8.291 7.622 -12.743 1.00 61.51 H new ATOM 0 HB3 ALA A 13 7.379 6.276 -13.467 1.00 61.51 H new ATOM 182 N ALA A 14 4.295 6.440 -13.319 1.00 42.12 N ATOM 183 CA ALA A 14 3.120 6.049 -14.088 1.00 63.12 C ATOM 184 C ALA A 14 1.861 6.713 -13.542 1.00 52.14 C ATOM 185 O ALA A 14 0.895 6.933 -14.275 1.00 21.31 O ATOM 186 CB ALA A 14 2.966 4.535 -14.083 1.00 11.34 C ATOM 0 H ALA A 14 4.562 5.778 -12.590 1.00 42.12 H new ATOM 0 HA ALA A 14 3.260 6.385 -15.115 1.00 63.12 H new ATOM 0 HB1 ALA A 14 2.085 4.257 -14.661 1.00 11.34 H new ATOM 0 HB2 ALA A 14 3.850 4.078 -14.527 1.00 11.34 H new ATOM 0 HB3 ALA A 14 2.853 4.184 -13.057 1.00 11.34 H new ATOM 192 N LEU A 15 1.877 7.030 -12.253 1.00 15.35 N ATOM 193 CA LEU A 15 0.735 7.669 -11.608 1.00 15.41 C ATOM 194 C LEU A 15 0.565 9.104 -12.098 1.00 72.33 C ATOM 195 O LEU A 15 -0.501 9.481 -12.586 1.00 3.41 O ATOM 196 CB LEU A 15 0.908 7.655 -10.088 1.00 50.11 C ATOM 197 CG LEU A 15 0.401 6.406 -9.366 1.00 40.04 C ATOM 198 CD1 LEU A 15 0.686 6.499 -7.875 1.00 73.54 C ATOM 199 CD2 LEU A 15 -1.088 6.213 -9.616 1.00 44.01 C ATOM 0 H LEU A 15 2.668 6.855 -11.633 1.00 15.35 H new ATOM 0 HA LEU A 15 -0.160 7.106 -11.871 1.00 15.41 H new ATOM 0 HB2 LEU A 15 1.967 7.776 -9.862 1.00 50.11 H new ATOM 0 HB3 LEU A 15 0.393 8.523 -9.676 1.00 50.11 H new ATOM 0 HG LEU A 15 0.931 5.540 -9.763 1.00 40.04 H new ATOM 0 HD11 LEU A 15 0.318 5.602 -7.378 1.00 73.54 H new ATOM 0 HD12 LEU A 15 1.760 6.588 -7.715 1.00 73.54 H new ATOM 0 HD13 LEU A 15 0.184 7.374 -7.462 1.00 73.54 H new ATOM 0 HD21 LEU A 15 -1.432 5.320 -9.095 1.00 44.01 H new ATOM 0 HD22 LEU A 15 -1.634 7.081 -9.247 1.00 44.01 H new ATOM 0 HD23 LEU A 15 -1.266 6.100 -10.685 1.00 44.01 H new ATOM 211 N ARG A 16 1.623 9.897 -11.968 1.00 13.44 N ATOM 212 CA ARG A 16 1.591 11.290 -12.398 1.00 71.14 C ATOM 213 C ARG A 16 1.521 11.387 -13.920 1.00 21.14 C ATOM 214 O ARG A 16 1.041 12.380 -14.467 1.00 33.42 O ATOM 215 CB ARG A 16 2.826 12.033 -11.886 1.00 31.15 C ATOM 216 CG ARG A 16 3.072 11.850 -10.397 1.00 24.41 C ATOM 217 CD ARG A 16 3.841 13.023 -9.811 1.00 3.51 C ATOM 218 NE ARG A 16 5.154 12.623 -9.311 1.00 13.13 N ATOM 219 CZ ARG A 16 6.212 12.437 -10.091 1.00 62.13 C ATOM 220 NH1 ARG A 16 6.113 12.614 -11.401 1.00 43.45 N ATOM 221 NH2 ARG A 16 7.373 12.073 -9.561 1.00 70.24 N ATOM 0 H ARG A 16 2.513 9.599 -11.568 1.00 13.44 H new ATOM 0 HA ARG A 16 0.697 11.753 -11.979 1.00 71.14 H new ATOM 0 HB2 ARG A 16 3.702 11.687 -12.436 1.00 31.15 H new ATOM 0 HB3 ARG A 16 2.715 13.096 -12.100 1.00 31.15 H new ATOM 0 HG2 ARG A 16 2.118 11.744 -9.880 1.00 24.41 H new ATOM 0 HG3 ARG A 16 3.629 10.928 -10.230 1.00 24.41 H new ATOM 0 HD2 ARG A 16 3.963 13.793 -10.573 1.00 3.51 H new ATOM 0 HD3 ARG A 16 3.264 13.466 -8.999 1.00 3.51 H new ATOM 0 HE ARG A 16 5.264 12.479 -8.307 1.00 13.13 H new ATOM 0 HH11 ARG A 16 5.222 12.894 -11.812 1.00 43.45 H new ATOM 0 HH12 ARG A 16 6.927 12.470 -11.998 1.00 43.45 H new ATOM 0 HH21 ARG A 16 7.453 11.936 -8.553 1.00 70.24 H new ATOM 0 HH22 ARG A 16 8.185 11.930 -10.161 1.00 70.24 H new ATOM 235 N ASP A 17 2.004 10.350 -14.596 1.00 14.40 N ATOM 236 CA ASP A 17 1.996 10.318 -16.054 1.00 14.21 C ATOM 237 C ASP A 17 0.598 10.599 -16.596 1.00 34.30 C ATOM 238 O ASP A 17 0.414 11.470 -17.447 1.00 3.23 O ATOM 239 CB ASP A 17 2.489 8.961 -16.558 1.00 33.10 C ATOM 240 CG ASP A 17 2.094 8.700 -17.998 1.00 74.21 C ATOM 241 OD1 ASP A 17 2.423 9.537 -18.864 1.00 74.22 O ATOM 242 OD2 ASP A 17 1.455 7.659 -18.259 1.00 75.20 O ATOM 0 H ASP A 17 2.406 9.521 -14.158 1.00 14.40 H new ATOM 0 HA ASP A 17 2.669 11.097 -16.414 1.00 14.21 H new ATOM 0 HB2 ASP A 17 3.574 8.916 -16.468 1.00 33.10 H new ATOM 0 HB3 ASP A 17 2.084 8.172 -15.924 1.00 33.10 H new ATOM 247 N CYS A 18 -0.384 9.855 -16.099 1.00 72.41 N ATOM 248 CA CYS A 18 -1.766 10.022 -16.535 1.00 71.10 C ATOM 249 C CYS A 18 -2.714 10.048 -15.340 1.00 63.12 C ATOM 250 O CYS A 18 -3.805 9.481 -15.390 1.00 23.35 O ATOM 251 CB CYS A 18 -2.161 8.895 -17.490 1.00 73.04 C ATOM 252 SG CYS A 18 -1.310 8.946 -19.085 1.00 24.04 S ATOM 0 H CYS A 18 -0.249 9.130 -15.394 1.00 72.41 H new ATOM 0 HA CYS A 18 -1.843 10.975 -17.058 1.00 71.10 H new ATOM 0 HB2 CYS A 18 -1.955 7.938 -17.011 1.00 73.04 H new ATOM 0 HB3 CYS A 18 -3.236 8.940 -17.663 1.00 73.04 H new ATOM 0 HG CYS A 18 -0.187 8.298 -18.998 1.00 24.04 H new ATOM 258 N GLN A 19 -2.288 10.708 -14.268 1.00 51.43 N ATOM 259 CA GLN A 19 -3.098 10.806 -13.060 1.00 34.31 C ATOM 260 C GLN A 19 -4.502 11.307 -13.385 1.00 22.55 C ATOM 261 O GLN A 19 -5.482 10.870 -12.782 1.00 60.32 O ATOM 262 CB GLN A 19 -2.432 11.739 -12.048 1.00 13.23 C ATOM 263 CG GLN A 19 -1.899 13.023 -12.663 1.00 60.11 C ATOM 264 CD GLN A 19 -1.556 14.071 -11.622 1.00 71.53 C ATOM 265 OE1 GLN A 19 -2.442 14.670 -11.013 1.00 53.31 O ATOM 266 NE2 GLN A 19 -0.265 14.296 -11.413 1.00 5.54 N ATOM 0 H GLN A 19 -1.387 11.183 -14.212 1.00 51.43 H new ATOM 0 HA GLN A 19 -3.179 9.810 -12.626 1.00 34.31 H new ATOM 0 HB2 GLN A 19 -3.152 11.991 -11.270 1.00 13.23 H new ATOM 0 HB3 GLN A 19 -1.611 11.210 -11.564 1.00 13.23 H new ATOM 0 HG2 GLN A 19 -1.010 12.797 -13.252 1.00 60.11 H new ATOM 0 HG3 GLN A 19 -2.642 13.428 -13.350 1.00 60.11 H new ATOM 0 HE21 GLN A 19 0.435 13.776 -11.941 1.00 5.54 H new ATOM 0 HE22 GLN A 19 0.027 14.989 -10.724 1.00 5.54 H new ATOM 275 N ALA A 20 -4.590 12.226 -14.340 1.00 74.12 N ATOM 276 CA ALA A 20 -5.874 12.785 -14.746 1.00 20.12 C ATOM 277 C ALA A 20 -6.877 11.681 -15.066 1.00 44.55 C ATOM 278 O ALA A 20 -6.515 10.590 -15.508 1.00 13.41 O ATOM 279 CB ALA A 20 -5.694 13.703 -15.946 1.00 74.40 C ATOM 0 H ALA A 20 -3.788 12.600 -14.847 1.00 74.12 H new ATOM 0 HA ALA A 20 -6.269 13.367 -13.914 1.00 20.12 H new ATOM 0 HB1 ALA A 20 -6.661 14.113 -16.238 1.00 74.40 H new ATOM 0 HB2 ALA A 20 -5.019 14.517 -15.683 1.00 74.40 H new ATOM 0 HB3 ALA A 20 -5.274 13.137 -16.777 1.00 74.40 H new ATOM 285 N PRO A 21 -8.167 11.969 -14.839 1.00 41.05 N ATOM 286 CA PRO A 21 -9.248 11.013 -15.097 1.00 51.34 C ATOM 287 C PRO A 21 -9.463 10.769 -16.587 1.00 51.41 C ATOM 288 O PRO A 21 -9.321 11.681 -17.402 1.00 10.30 O ATOM 289 CB PRO A 21 -10.475 11.692 -14.484 1.00 53.21 C ATOM 290 CG PRO A 21 -10.157 13.147 -14.512 1.00 2.31 C ATOM 291 CD PRO A 21 -8.670 13.249 -14.314 1.00 43.51 C ATOM 0 HA PRO A 21 -9.033 10.031 -14.677 1.00 51.34 H new ATOM 0 HB2 PRO A 21 -11.376 11.473 -15.057 1.00 53.21 H new ATOM 0 HB3 PRO A 21 -10.652 11.345 -13.466 1.00 53.21 H new ATOM 0 HG2 PRO A 21 -10.456 13.594 -15.460 1.00 2.31 H new ATOM 0 HG3 PRO A 21 -10.693 13.679 -13.726 1.00 2.31 H new ATOM 0 HD2 PRO A 21 -8.250 14.098 -14.854 1.00 43.51 H new ATOM 0 HD3 PRO A 21 -8.413 13.381 -13.263 1.00 43.51 H new ATOM 299 N ASP A 22 -9.806 9.534 -16.936 1.00 54.51 N ATOM 300 CA ASP A 22 -10.043 9.171 -18.328 1.00 43.15 C ATOM 301 C ASP A 22 -8.870 9.594 -19.207 1.00 43.41 C ATOM 302 O ASP A 22 -9.039 9.872 -20.394 1.00 61.44 O ATOM 303 CB ASP A 22 -11.334 9.817 -18.834 1.00 62.42 C ATOM 304 CG ASP A 22 -12.021 8.981 -19.896 1.00 54.22 C ATOM 305 OD1 ASP A 22 -12.520 7.887 -19.559 1.00 44.01 O ATOM 306 OD2 ASP A 22 -12.061 9.421 -21.065 1.00 5.15 O ATOM 0 H ASP A 22 -9.926 8.767 -16.274 1.00 54.51 H new ATOM 0 HA ASP A 22 -10.143 8.087 -18.383 1.00 43.15 H new ATOM 0 HB2 ASP A 22 -12.015 9.966 -17.996 1.00 62.42 H new ATOM 0 HB3 ASP A 22 -11.109 10.803 -19.241 1.00 62.42 H new ATOM 311 N SER A 23 -7.681 9.643 -18.615 1.00 64.20 N ATOM 312 CA SER A 23 -6.480 10.037 -19.343 1.00 1.15 C ATOM 313 C SER A 23 -5.478 8.888 -19.402 1.00 35.44 C ATOM 314 O SER A 23 -4.342 9.061 -19.843 1.00 11.04 O ATOM 315 CB SER A 23 -5.835 11.257 -18.682 1.00 31.25 C ATOM 316 OG SER A 23 -5.307 12.144 -19.653 1.00 20.54 O ATOM 0 H SER A 23 -7.523 9.415 -17.633 1.00 64.20 H new ATOM 0 HA SER A 23 -6.771 10.295 -20.361 1.00 1.15 H new ATOM 0 HB2 SER A 23 -6.574 11.778 -18.073 1.00 31.25 H new ATOM 0 HB3 SER A 23 -5.040 10.933 -18.011 1.00 31.25 H new ATOM 0 HG SER A 23 -4.902 12.916 -19.205 1.00 20.54 H new ATOM 322 N PHE A 24 -5.909 7.713 -18.954 1.00 22.22 N ATOM 323 CA PHE A 24 -5.051 6.534 -18.954 1.00 62.41 C ATOM 324 C PHE A 24 -5.785 5.327 -19.531 1.00 60.13 C ATOM 325 O PHE A 24 -6.914 5.443 -20.008 1.00 11.24 O ATOM 326 CB PHE A 24 -4.574 6.223 -17.534 1.00 11.34 C ATOM 327 CG PHE A 24 -5.690 6.142 -16.531 1.00 62.13 C ATOM 328 CD1 PHE A 24 -6.218 7.292 -15.968 1.00 51.41 C ATOM 329 CD2 PHE A 24 -6.211 4.915 -16.153 1.00 4.13 C ATOM 330 CE1 PHE A 24 -7.244 7.220 -15.045 1.00 11.10 C ATOM 331 CE2 PHE A 24 -7.237 4.837 -15.230 1.00 71.43 C ATOM 332 CZ PHE A 24 -7.755 5.991 -14.677 1.00 31.24 C ATOM 0 H PHE A 24 -6.847 7.552 -18.587 1.00 22.22 H new ATOM 0 HA PHE A 24 -4.186 6.746 -19.582 1.00 62.41 H new ATOM 0 HB2 PHE A 24 -4.032 5.277 -17.540 1.00 11.34 H new ATOM 0 HB3 PHE A 24 -3.869 6.992 -17.220 1.00 11.34 H new ATOM 0 HD1 PHE A 24 -5.823 8.256 -16.254 1.00 51.41 H new ATOM 0 HD2 PHE A 24 -5.811 4.009 -16.584 1.00 4.13 H new ATOM 0 HE1 PHE A 24 -7.646 8.124 -14.612 1.00 11.10 H new ATOM 0 HE2 PHE A 24 -7.633 3.874 -14.942 1.00 71.43 H new ATOM 0 HZ PHE A 24 -8.559 5.933 -13.958 1.00 31.24 H new ATOM 342 N SER A 25 -5.135 4.169 -19.485 1.00 63.43 N ATOM 343 CA SER A 25 -5.723 2.941 -20.007 1.00 62.43 C ATOM 344 C SER A 25 -5.157 1.719 -19.289 1.00 13.22 C ATOM 345 O SER A 25 -4.103 1.773 -18.656 1.00 24.50 O ATOM 346 CB SER A 25 -5.466 2.826 -21.511 1.00 43.01 C ATOM 347 OG SER A 25 -6.681 2.857 -22.240 1.00 44.40 O ATOM 0 H SER A 25 -4.201 4.055 -19.092 1.00 63.43 H new ATOM 0 HA SER A 25 -6.798 2.979 -19.831 1.00 62.43 H new ATOM 0 HB2 SER A 25 -4.822 3.643 -21.837 1.00 43.01 H new ATOM 0 HB3 SER A 25 -4.935 1.898 -21.722 1.00 43.01 H new ATOM 0 HG SER A 25 -6.489 2.784 -23.198 1.00 44.40 H new ATOM 353 N PRO A 26 -5.875 0.591 -19.388 1.00 32.51 N ATOM 354 CA PRO A 26 -5.465 -0.666 -18.755 1.00 33.52 C ATOM 355 C PRO A 26 -4.234 -1.275 -19.418 1.00 34.11 C ATOM 356 O PRO A 26 -3.546 -2.107 -18.827 1.00 63.54 O ATOM 357 CB PRO A 26 -6.682 -1.575 -18.949 1.00 42.14 C ATOM 358 CG PRO A 26 -7.372 -1.031 -20.153 1.00 23.42 C ATOM 359 CD PRO A 26 -7.142 0.454 -20.126 1.00 50.40 C ATOM 0 HA PRO A 26 -5.184 -0.524 -17.711 1.00 33.52 H new ATOM 0 HB2 PRO A 26 -6.382 -2.612 -19.099 1.00 42.14 H new ATOM 0 HB3 PRO A 26 -7.334 -1.555 -18.076 1.00 42.14 H new ATOM 0 HG2 PRO A 26 -6.970 -1.472 -21.065 1.00 23.42 H new ATOM 0 HG3 PRO A 26 -8.437 -1.261 -20.130 1.00 23.42 H new ATOM 0 HD2 PRO A 26 -7.068 0.867 -21.132 1.00 50.40 H new ATOM 0 HD3 PRO A 26 -7.957 0.978 -19.626 1.00 50.40 H new ATOM 367 N LYS A 27 -3.962 -0.855 -20.649 1.00 13.44 N ATOM 368 CA LYS A 27 -2.813 -1.356 -21.393 1.00 31.45 C ATOM 369 C LYS A 27 -1.817 -0.236 -21.676 1.00 20.53 C ATOM 370 O LYS A 27 -1.119 -0.254 -22.690 1.00 12.41 O ATOM 371 CB LYS A 27 -3.269 -1.992 -22.708 1.00 31.33 C ATOM 372 CG LYS A 27 -3.702 -0.981 -23.754 1.00 53.55 C ATOM 373 CD LYS A 27 -4.895 -1.480 -24.552 1.00 53.43 C ATOM 374 CE LYS A 27 -6.147 -1.559 -23.692 1.00 53.12 C ATOM 375 NZ LYS A 27 -7.380 -1.694 -24.517 1.00 44.54 N ATOM 0 H LYS A 27 -4.523 -0.168 -21.153 1.00 13.44 H new ATOM 0 HA LYS A 27 -2.319 -2.112 -20.783 1.00 31.45 H new ATOM 0 HB2 LYS A 27 -2.455 -2.594 -23.112 1.00 31.33 H new ATOM 0 HB3 LYS A 27 -4.098 -2.670 -22.506 1.00 31.33 H new ATOM 0 HG2 LYS A 27 -3.957 -0.039 -23.268 1.00 53.55 H new ATOM 0 HG3 LYS A 27 -2.871 -0.776 -24.429 1.00 53.55 H new ATOM 0 HD2 LYS A 27 -5.074 -0.814 -25.396 1.00 53.43 H new ATOM 0 HD3 LYS A 27 -4.673 -2.464 -24.964 1.00 53.43 H new ATOM 0 HE2 LYS A 27 -6.069 -2.409 -23.014 1.00 53.12 H new ATOM 0 HE3 LYS A 27 -6.220 -0.664 -23.074 1.00 53.12 H new ATOM 0 HZ1 LYS A 27 -8.211 -1.745 -23.894 1.00 44.54 H new ATOM 0 HZ2 LYS A 27 -7.469 -0.871 -25.146 1.00 44.54 H new ATOM 0 HZ3 LYS A 27 -7.322 -2.561 -25.088 1.00 44.54 H new ATOM 389 N LYS A 28 -1.754 0.736 -20.772 1.00 75.13 N ATOM 390 CA LYS A 28 -0.842 1.863 -20.923 1.00 2.03 C ATOM 391 C LYS A 28 -0.121 2.158 -19.611 1.00 54.51 C ATOM 392 O LYS A 28 0.467 3.227 -19.441 1.00 73.22 O ATOM 393 CB LYS A 28 -1.605 3.105 -21.389 1.00 0.03 C ATOM 394 CG LYS A 28 -1.847 3.143 -22.888 1.00 1.43 C ATOM 395 CD LYS A 28 -0.581 3.501 -23.648 1.00 23.41 C ATOM 396 CE LYS A 28 -0.814 3.499 -25.151 1.00 1.41 C ATOM 397 NZ LYS A 28 -1.635 4.663 -25.586 1.00 11.13 N ATOM 0 H LYS A 28 -2.324 0.766 -19.927 1.00 75.13 H new ATOM 0 HA LYS A 28 -0.098 1.599 -21.675 1.00 2.03 H new ATOM 0 HB2 LYS A 28 -2.564 3.147 -20.873 1.00 0.03 H new ATOM 0 HB3 LYS A 28 -1.047 3.995 -21.097 1.00 0.03 H new ATOM 0 HG2 LYS A 28 -2.212 2.172 -23.223 1.00 1.43 H new ATOM 0 HG3 LYS A 28 -2.626 3.871 -23.113 1.00 1.43 H new ATOM 0 HD2 LYS A 28 -0.233 4.485 -23.334 1.00 23.41 H new ATOM 0 HD3 LYS A 28 0.207 2.790 -23.400 1.00 23.41 H new ATOM 0 HE2 LYS A 28 0.146 3.518 -25.667 1.00 1.41 H new ATOM 0 HE3 LYS A 28 -1.313 2.574 -25.440 1.00 1.41 H new ATOM 0 HZ1 LYS A 28 -1.743 4.644 -26.620 1.00 11.13 H new ATOM 0 HZ2 LYS A 28 -2.573 4.613 -25.139 1.00 11.13 H new ATOM 0 HZ3 LYS A 28 -1.163 5.546 -25.303 1.00 11.13 H new ATOM 411 N PHE A 29 -0.170 1.205 -18.687 1.00 30.03 N ATOM 412 CA PHE A 29 0.479 1.363 -17.390 1.00 53.23 C ATOM 413 C PHE A 29 1.659 0.406 -17.252 1.00 50.03 C ATOM 414 O PHE A 29 2.530 0.595 -16.403 1.00 33.35 O ATOM 415 CB PHE A 29 -0.525 1.120 -16.261 1.00 63.31 C ATOM 416 CG PHE A 29 -0.799 2.340 -15.430 1.00 32.04 C ATOM 417 CD1 PHE A 29 0.120 2.774 -14.488 1.00 40.44 C ATOM 418 CD2 PHE A 29 -1.977 3.052 -15.589 1.00 1.42 C ATOM 419 CE1 PHE A 29 -0.129 3.897 -13.722 1.00 13.23 C ATOM 420 CE2 PHE A 29 -2.232 4.176 -14.826 1.00 5.05 C ATOM 421 CZ PHE A 29 -1.307 4.598 -13.890 1.00 12.30 C ATOM 0 H PHE A 29 -0.652 0.315 -18.812 1.00 30.03 H new ATOM 0 HA PHE A 29 0.853 2.384 -17.321 1.00 53.23 H new ATOM 0 HB2 PHE A 29 -1.462 0.764 -16.689 1.00 63.31 H new ATOM 0 HB3 PHE A 29 -0.148 0.327 -15.615 1.00 63.31 H new ATOM 0 HD1 PHE A 29 1.042 2.228 -14.351 1.00 40.44 H new ATOM 0 HD2 PHE A 29 -2.704 2.725 -16.317 1.00 1.42 H new ATOM 0 HE1 PHE A 29 0.597 4.226 -12.993 1.00 13.23 H new ATOM 0 HE2 PHE A 29 -3.153 4.724 -14.961 1.00 5.05 H new ATOM 0 HZ PHE A 29 -1.505 5.475 -13.291 1.00 12.30 H new ATOM 431 N PHE A 30 1.681 -0.622 -18.094 1.00 34.32 N ATOM 432 CA PHE A 30 2.752 -1.611 -18.066 1.00 4.34 C ATOM 433 C PHE A 30 4.023 -1.053 -18.701 1.00 20.44 C ATOM 434 O PHE A 30 5.112 -1.596 -18.513 1.00 75.35 O ATOM 435 CB PHE A 30 2.320 -2.884 -18.796 1.00 10.11 C ATOM 436 CG PHE A 30 2.348 -2.756 -20.292 1.00 41.21 C ATOM 437 CD1 PHE A 30 3.513 -3.004 -21.000 1.00 50.11 C ATOM 438 CD2 PHE A 30 1.210 -2.387 -20.991 1.00 12.45 C ATOM 439 CE1 PHE A 30 3.542 -2.887 -22.377 1.00 62.21 C ATOM 440 CE2 PHE A 30 1.233 -2.269 -22.367 1.00 51.33 C ATOM 441 CZ PHE A 30 2.401 -2.518 -23.061 1.00 72.14 C ATOM 0 H PHE A 30 0.969 -0.792 -18.804 1.00 34.32 H new ATOM 0 HA PHE A 30 2.962 -1.853 -17.024 1.00 4.34 H new ATOM 0 HB2 PHE A 30 2.973 -3.704 -18.497 1.00 10.11 H new ATOM 0 HB3 PHE A 30 1.311 -3.149 -18.481 1.00 10.11 H new ATOM 0 HD1 PHE A 30 4.409 -3.292 -20.470 1.00 50.11 H new ATOM 0 HD2 PHE A 30 0.294 -2.189 -20.454 1.00 12.45 H new ATOM 0 HE1 PHE A 30 4.456 -3.084 -22.917 1.00 62.21 H new ATOM 0 HE2 PHE A 30 0.338 -1.982 -22.900 1.00 51.33 H new ATOM 0 HZ PHE A 30 2.422 -2.424 -24.137 1.00 72.14 H new ATOM 451 N GLN A 31 3.875 0.033 -19.452 1.00 74.31 N ATOM 452 CA GLN A 31 5.010 0.663 -20.116 1.00 33.22 C ATOM 453 C GLN A 31 5.785 1.548 -19.146 1.00 13.34 C ATOM 454 O GLN A 31 7.013 1.622 -19.203 1.00 34.31 O ATOM 455 CB GLN A 31 4.534 1.490 -21.311 1.00 14.30 C ATOM 456 CG GLN A 31 3.332 0.893 -22.025 1.00 31.42 C ATOM 457 CD GLN A 31 2.989 1.627 -23.306 1.00 0.43 C ATOM 458 OE1 GLN A 31 2.860 1.019 -24.368 1.00 54.14 O ATOM 459 NE2 GLN A 31 2.840 2.944 -23.212 1.00 34.54 N ATOM 0 H GLN A 31 2.981 0.495 -19.616 1.00 74.31 H new ATOM 0 HA GLN A 31 5.675 -0.125 -20.471 1.00 33.22 H new ATOM 0 HB2 GLN A 31 4.281 2.494 -20.970 1.00 14.30 H new ATOM 0 HB3 GLN A 31 5.354 1.592 -22.021 1.00 14.30 H new ATOM 0 HG2 GLN A 31 3.533 -0.154 -22.253 1.00 31.42 H new ATOM 0 HG3 GLN A 31 2.471 0.914 -21.357 1.00 31.42 H new ATOM 0 HE21 GLN A 31 2.956 3.407 -22.311 1.00 34.54 H new ATOM 0 HE22 GLN A 31 2.609 3.492 -24.041 1.00 34.54 H new ATOM 468 N ILE A 32 5.060 2.219 -18.256 1.00 61.33 N ATOM 469 CA ILE A 32 5.680 3.098 -17.274 1.00 3.45 C ATOM 470 C ILE A 32 5.995 2.347 -15.984 1.00 54.32 C ATOM 471 O ILE A 32 6.965 2.658 -15.294 1.00 22.34 O ATOM 472 CB ILE A 32 4.777 4.302 -16.946 1.00 41.10 C ATOM 473 CG1 ILE A 32 4.298 4.974 -18.235 1.00 22.33 C ATOM 474 CG2 ILE A 32 5.520 5.298 -16.068 1.00 35.04 C ATOM 475 CD1 ILE A 32 2.884 4.600 -18.622 1.00 25.34 C ATOM 0 H ILE A 32 4.043 2.170 -18.196 1.00 61.33 H new ATOM 0 HA ILE A 32 6.608 3.460 -17.717 1.00 3.45 H new ATOM 0 HB ILE A 32 3.905 3.945 -16.399 1.00 41.10 H new ATOM 0 HG12 ILE A 32 4.359 6.056 -18.116 1.00 22.33 H new ATOM 0 HG13 ILE A 32 4.972 4.704 -19.048 1.00 22.33 H new ATOM 0 HG21 ILE A 32 4.869 6.143 -15.845 1.00 35.04 H new ATOM 0 HG22 ILE A 32 5.816 4.813 -15.138 1.00 35.04 H new ATOM 0 HG23 ILE A 32 6.408 5.653 -16.591 1.00 35.04 H new ATOM 0 HD11 ILE A 32 2.612 5.113 -19.544 1.00 25.34 H new ATOM 0 HD12 ILE A 32 2.821 3.522 -18.774 1.00 25.34 H new ATOM 0 HD13 ILE A 32 2.199 4.895 -17.827 1.00 25.34 H new ATOM 487 N SER A 33 5.168 1.356 -15.667 1.00 12.25 N ATOM 488 CA SER A 33 5.356 0.561 -14.459 1.00 0.12 C ATOM 489 C SER A 33 6.286 -0.619 -14.725 1.00 12.03 C ATOM 490 O SER A 33 7.422 -0.648 -14.253 1.00 14.52 O ATOM 491 CB SER A 33 4.008 0.056 -13.940 1.00 3.21 C ATOM 492 OG SER A 33 4.083 -0.274 -12.564 1.00 31.40 O ATOM 0 H SER A 33 4.362 1.084 -16.230 1.00 12.25 H new ATOM 0 HA SER A 33 5.813 1.198 -13.702 1.00 0.12 H new ATOM 0 HB2 SER A 33 3.246 0.821 -14.093 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.700 -0.820 -14.511 1.00 3.21 H new ATOM 0 HG SER A 33 5.009 -0.184 -12.256 1.00 31.40 H new ATOM 498 N GLY A 34 5.794 -1.593 -15.485 1.00 52.51 N ATOM 499 CA GLY A 34 6.592 -2.762 -15.801 1.00 63.33 C ATOM 500 C GLY A 34 5.916 -4.055 -15.389 1.00 2.31 C ATOM 501 O GLY A 34 6.584 -5.044 -15.089 1.00 51.11 O ATOM 0 H GLY A 34 4.857 -1.593 -15.887 1.00 52.51 H new ATOM 0 HA2 GLY A 34 6.789 -2.784 -16.873 1.00 63.33 H new ATOM 0 HA3 GLY A 34 7.557 -2.685 -15.301 1.00 63.33 H new ATOM 505 N MET A 35 4.587 -4.046 -15.372 1.00 23.21 N ATOM 506 CA MET A 35 3.821 -5.227 -14.992 1.00 73.32 C ATOM 507 C MET A 35 4.056 -6.368 -15.977 1.00 63.11 C ATOM 508 O MET A 35 4.339 -7.497 -15.577 1.00 75.52 O ATOM 509 CB MET A 35 2.329 -4.894 -14.927 1.00 70.10 C ATOM 510 CG MET A 35 2.018 -3.656 -14.101 1.00 63.33 C ATOM 511 SD MET A 35 0.285 -3.171 -14.203 1.00 12.40 S ATOM 512 CE MET A 35 -0.524 -4.706 -13.759 1.00 65.24 C ATOM 0 H MET A 35 4.019 -3.235 -15.617 1.00 23.21 H new ATOM 0 HA MET A 35 4.159 -5.546 -14.006 1.00 73.32 H new ATOM 0 HB2 MET A 35 1.953 -4.749 -15.940 1.00 70.10 H new ATOM 0 HB3 MET A 35 1.793 -5.745 -14.507 1.00 70.10 H new ATOM 0 HG2 MET A 35 2.278 -3.844 -13.059 1.00 63.33 H new ATOM 0 HG3 MET A 35 2.643 -2.830 -14.441 1.00 63.33 H new ATOM 0 HE1 MET A 35 -1.554 -4.503 -13.466 1.00 65.24 H new ATOM 0 HE2 MET A 35 -0.516 -5.382 -14.614 1.00 65.24 H new ATOM 0 HE3 MET A 35 0.005 -5.169 -12.926 1.00 65.24 H new ATOM 522 N SER A 36 3.938 -6.065 -17.266 1.00 22.21 N ATOM 523 CA SER A 36 4.134 -7.067 -18.308 1.00 3.44 C ATOM 524 C SER A 36 5.484 -7.759 -18.148 1.00 45.12 C ATOM 525 O SER A 36 5.618 -8.954 -18.412 1.00 31.24 O ATOM 526 CB SER A 36 4.040 -6.420 -19.691 1.00 2.33 C ATOM 527 OG SER A 36 5.140 -5.557 -19.926 1.00 73.22 O ATOM 0 H SER A 36 3.708 -5.134 -17.614 1.00 22.21 H new ATOM 0 HA SER A 36 3.348 -7.816 -18.211 1.00 3.44 H new ATOM 0 HB2 SER A 36 4.011 -7.195 -20.457 1.00 2.33 H new ATOM 0 HB3 SER A 36 3.109 -5.858 -19.771 1.00 2.33 H new ATOM 0 HG SER A 36 5.058 -5.157 -20.817 1.00 73.22 H new ATOM 533 N LYS A 37 6.484 -6.999 -17.715 1.00 45.20 N ATOM 534 CA LYS A 37 7.825 -7.537 -17.518 1.00 44.44 C ATOM 535 C LYS A 37 7.831 -8.598 -16.423 1.00 74.32 C ATOM 536 O LYS A 37 8.783 -9.368 -16.294 1.00 42.43 O ATOM 537 CB LYS A 37 8.800 -6.413 -17.159 1.00 1.02 C ATOM 538 CG LYS A 37 8.653 -5.178 -18.031 1.00 23.02 C ATOM 539 CD LYS A 37 8.726 -5.527 -19.508 1.00 11.30 C ATOM 540 CE LYS A 37 10.052 -6.182 -19.862 1.00 3.44 C ATOM 541 NZ LYS A 37 10.370 -6.044 -21.310 1.00 4.42 N ATOM 0 H LYS A 37 6.391 -6.008 -17.494 1.00 45.20 H new ATOM 0 HA LYS A 37 8.143 -8.002 -18.451 1.00 44.44 H new ATOM 0 HB2 LYS A 37 8.649 -6.132 -16.117 1.00 1.02 H new ATOM 0 HB3 LYS A 37 9.820 -6.788 -17.243 1.00 1.02 H new ATOM 0 HG2 LYS A 37 7.701 -4.692 -17.818 1.00 23.02 H new ATOM 0 HG3 LYS A 37 9.438 -4.463 -17.786 1.00 23.02 H new ATOM 0 HD2 LYS A 37 7.907 -6.199 -19.765 1.00 11.30 H new ATOM 0 HD3 LYS A 37 8.595 -4.623 -20.103 1.00 11.30 H new ATOM 0 HE2 LYS A 37 10.849 -5.731 -19.271 1.00 3.44 H new ATOM 0 HE3 LYS A 37 10.017 -7.239 -19.597 1.00 3.44 H new ATOM 0 HZ1 LYS A 37 11.281 -6.503 -21.511 1.00 4.42 H new ATOM 0 HZ2 LYS A 37 9.623 -6.496 -21.874 1.00 4.42 H new ATOM 0 HZ3 LYS A 37 10.429 -5.036 -21.558 1.00 4.42 H new ATOM 555 N LYS A 38 6.760 -8.636 -15.637 1.00 2.11 N ATOM 556 CA LYS A 38 6.639 -9.605 -14.554 1.00 43.02 C ATOM 557 C LYS A 38 5.954 -10.879 -15.038 1.00 41.12 C ATOM 558 O LYS A 38 5.210 -10.861 -16.019 1.00 4.20 O ATOM 559 CB LYS A 38 5.853 -9.002 -13.388 1.00 1.11 C ATOM 560 CG LYS A 38 6.337 -7.622 -12.977 1.00 22.21 C ATOM 561 CD LYS A 38 7.763 -7.665 -12.452 1.00 54.33 C ATOM 562 CE LYS A 38 8.747 -7.105 -13.468 1.00 21.12 C ATOM 563 NZ LYS A 38 10.020 -7.877 -13.490 1.00 24.04 N ATOM 0 H LYS A 38 5.963 -8.006 -15.730 1.00 2.11 H new ATOM 0 HA LYS A 38 7.643 -9.860 -14.214 1.00 43.02 H new ATOM 0 HB2 LYS A 38 4.800 -8.941 -13.663 1.00 1.11 H new ATOM 0 HB3 LYS A 38 5.920 -9.672 -12.531 1.00 1.11 H new ATOM 0 HG2 LYS A 38 6.283 -6.947 -13.831 1.00 22.21 H new ATOM 0 HG3 LYS A 38 5.677 -7.218 -12.209 1.00 22.21 H new ATOM 0 HD2 LYS A 38 7.829 -7.093 -11.526 1.00 54.33 H new ATOM 0 HD3 LYS A 38 8.033 -8.693 -12.211 1.00 54.33 H new ATOM 0 HE2 LYS A 38 8.295 -7.122 -14.460 1.00 21.12 H new ATOM 0 HE3 LYS A 38 8.959 -6.062 -13.232 1.00 21.12 H new ATOM 0 HZ1 LYS A 38 10.664 -7.464 -14.195 1.00 24.04 H new ATOM 0 HZ2 LYS A 38 10.465 -7.840 -12.551 1.00 24.04 H new ATOM 0 HZ3 LYS A 38 9.821 -8.867 -13.740 1.00 24.04 H new ATOM 577 N SER A 39 6.209 -11.983 -14.343 1.00 74.03 N ATOM 578 CA SER A 39 5.618 -13.266 -14.704 1.00 72.50 C ATOM 579 C SER A 39 4.142 -13.312 -14.321 1.00 53.11 C ATOM 580 O SER A 39 3.669 -12.495 -13.531 1.00 33.44 O ATOM 581 CB SER A 39 6.370 -14.409 -14.018 1.00 53.31 C ATOM 582 OG SER A 39 5.951 -15.667 -14.517 1.00 71.22 O ATOM 0 H SER A 39 6.821 -12.015 -13.527 1.00 74.03 H new ATOM 0 HA SER A 39 5.699 -13.384 -15.785 1.00 72.50 H new ATOM 0 HB2 SER A 39 7.442 -14.290 -14.177 1.00 53.31 H new ATOM 0 HB3 SER A 39 6.200 -14.366 -12.942 1.00 53.31 H new ATOM 0 HG SER A 39 6.447 -16.380 -14.064 1.00 71.22 H new ATOM 588 N SER A 40 3.419 -14.273 -14.888 1.00 41.31 N ATOM 589 CA SER A 40 1.996 -14.424 -14.610 1.00 54.41 C ATOM 590 C SER A 40 1.761 -14.741 -13.136 1.00 55.53 C ATOM 591 O SER A 40 0.645 -14.610 -12.632 1.00 61.42 O ATOM 592 CB SER A 40 1.398 -15.529 -15.483 1.00 23.23 C ATOM 593 OG SER A 40 1.264 -16.737 -14.754 1.00 73.22 O ATOM 0 H SER A 40 3.796 -14.958 -15.543 1.00 41.31 H new ATOM 0 HA SER A 40 1.503 -13.480 -14.844 1.00 54.41 H new ATOM 0 HB2 SER A 40 0.423 -15.215 -15.856 1.00 23.23 H new ATOM 0 HB3 SER A 40 2.034 -15.694 -16.353 1.00 23.23 H new ATOM 0 HG SER A 40 0.314 -16.927 -14.608 1.00 73.22 H new ATOM 599 N SER A 41 2.820 -15.157 -12.451 1.00 22.42 N ATOM 600 CA SER A 41 2.730 -15.497 -11.036 1.00 30.14 C ATOM 601 C SER A 41 2.993 -14.272 -10.165 1.00 71.10 C ATOM 602 O SER A 41 2.561 -14.212 -9.014 1.00 41.13 O ATOM 603 CB SER A 41 3.727 -16.605 -10.691 1.00 33.42 C ATOM 604 OG SER A 41 3.225 -17.877 -11.064 1.00 51.13 O ATOM 0 H SER A 41 3.751 -15.267 -12.853 1.00 22.42 H new ATOM 0 HA SER A 41 1.719 -15.853 -10.837 1.00 30.14 H new ATOM 0 HB2 SER A 41 4.672 -16.420 -11.201 1.00 33.42 H new ATOM 0 HB3 SER A 41 3.934 -16.592 -9.621 1.00 33.42 H new ATOM 0 HG SER A 41 3.881 -18.568 -10.835 1.00 51.13 H new ATOM 610 N GLN A 42 3.704 -13.298 -10.724 1.00 62.40 N ATOM 611 CA GLN A 42 4.026 -12.075 -9.999 1.00 12.01 C ATOM 612 C GLN A 42 2.851 -11.103 -10.023 1.00 73.02 C ATOM 613 O GLN A 42 2.604 -10.386 -9.052 1.00 71.41 O ATOM 614 CB GLN A 42 5.265 -11.411 -10.601 1.00 50.34 C ATOM 615 CG GLN A 42 6.574 -12.002 -10.104 1.00 44.35 C ATOM 616 CD GLN A 42 7.773 -11.142 -10.455 1.00 11.03 C ATOM 617 OE1 GLN A 42 7.982 -10.077 -9.689 1.00 60.22 O flip ATOM 618 NE2 GLN A 42 8.503 -11.431 -11.403 1.00 70.32 N flip ATOM 0 H GLN A 42 4.068 -13.332 -11.676 1.00 62.40 H new ATOM 0 HA GLN A 42 4.233 -12.341 -8.962 1.00 12.01 H new ATOM 0 HB2 GLN A 42 5.224 -11.501 -11.686 1.00 50.34 H new ATOM 0 HB3 GLN A 42 5.245 -10.346 -10.369 1.00 50.34 H new ATOM 0 HG2 GLN A 42 6.525 -12.126 -9.022 1.00 44.35 H new ATOM 0 HG3 GLN A 42 6.706 -12.995 -10.533 1.00 44.35 H new ATOM 0 HE21 GLN A 42 8.305 -12.259 -11.965 1.00 70.32 H new ATOM 0 HE22 GLN A 42 9.306 -10.843 -11.626 1.00 70.32 H new ATOM 627 N LEU A 43 2.129 -11.083 -11.138 1.00 70.02 N ATOM 628 CA LEU A 43 0.979 -10.198 -11.289 1.00 70.35 C ATOM 629 C LEU A 43 -0.196 -10.683 -10.446 1.00 61.54 C ATOM 630 O LEU A 43 -1.116 -9.922 -10.146 1.00 44.24 O ATOM 631 CB LEU A 43 0.566 -10.114 -12.760 1.00 13.42 C ATOM 632 CG LEU A 43 1.688 -9.825 -13.757 1.00 4.30 C ATOM 633 CD1 LEU A 43 1.396 -10.484 -15.096 1.00 54.50 C ATOM 634 CD2 LEU A 43 1.877 -8.324 -13.928 1.00 74.44 C ATOM 0 H LEU A 43 2.319 -11.669 -11.951 1.00 70.02 H new ATOM 0 HA LEU A 43 1.266 -9.206 -10.941 1.00 70.35 H new ATOM 0 HB2 LEU A 43 0.094 -11.056 -13.038 1.00 13.42 H new ATOM 0 HB3 LEU A 43 -0.191 -9.336 -12.860 1.00 13.42 H new ATOM 0 HG LEU A 43 2.614 -10.245 -13.364 1.00 4.30 H new ATOM 0 HD11 LEU A 43 2.206 -10.267 -15.793 1.00 54.50 H new ATOM 0 HD12 LEU A 43 1.313 -11.562 -14.960 1.00 54.50 H new ATOM 0 HD13 LEU A 43 0.459 -10.096 -15.496 1.00 54.50 H new ATOM 0 HD21 LEU A 43 2.680 -8.137 -14.641 1.00 74.44 H new ATOM 0 HD22 LEU A 43 0.952 -7.881 -14.298 1.00 74.44 H new ATOM 0 HD23 LEU A 43 2.134 -7.878 -12.967 1.00 74.44 H new ATOM 646 N LYS A 44 -0.158 -11.956 -10.065 1.00 12.31 N ATOM 647 CA LYS A 44 -1.217 -12.543 -9.253 1.00 32.20 C ATOM 648 C LYS A 44 -1.168 -12.008 -7.825 1.00 75.43 C ATOM 649 O LYS A 44 -2.191 -11.937 -7.145 1.00 53.31 O ATOM 650 CB LYS A 44 -1.093 -14.068 -9.242 1.00 70.51 C ATOM 651 CG LYS A 44 -1.854 -14.749 -10.367 1.00 1.20 C ATOM 652 CD LYS A 44 -2.179 -16.193 -10.026 1.00 72.42 C ATOM 653 CE LYS A 44 -1.019 -17.119 -10.359 1.00 33.30 C ATOM 654 NZ LYS A 44 -0.736 -18.073 -9.251 1.00 62.43 N ATOM 0 H LYS A 44 0.595 -12.601 -10.306 1.00 12.31 H new ATOM 0 HA LYS A 44 -2.175 -12.265 -9.693 1.00 32.20 H new ATOM 0 HB2 LYS A 44 -0.039 -14.339 -9.311 1.00 70.51 H new ATOM 0 HB3 LYS A 44 -1.457 -14.447 -8.287 1.00 70.51 H new ATOM 0 HG2 LYS A 44 -2.777 -14.204 -10.565 1.00 1.20 H new ATOM 0 HG3 LYS A 44 -1.261 -14.715 -11.281 1.00 1.20 H new ATOM 0 HD2 LYS A 44 -2.417 -16.273 -8.965 1.00 72.42 H new ATOM 0 HD3 LYS A 44 -3.066 -16.507 -10.576 1.00 72.42 H new ATOM 0 HE2 LYS A 44 -1.248 -17.675 -11.268 1.00 33.30 H new ATOM 0 HE3 LYS A 44 -0.128 -16.526 -10.564 1.00 33.30 H new ATOM 0 HZ1 LYS A 44 0.061 -18.687 -9.516 1.00 62.43 H new ATOM 0 HZ2 LYS A 44 -0.493 -17.543 -8.390 1.00 62.43 H new ATOM 0 HZ3 LYS A 44 -1.578 -18.657 -9.072 1.00 62.43 H new ATOM 668 N GLU A 45 0.026 -11.633 -7.379 1.00 63.30 N ATOM 669 CA GLU A 45 0.206 -11.104 -6.032 1.00 63.41 C ATOM 670 C GLU A 45 -0.586 -9.814 -5.844 1.00 33.12 C ATOM 671 O GLU A 45 -1.295 -9.648 -4.851 1.00 35.41 O ATOM 672 CB GLU A 45 1.689 -10.850 -5.754 1.00 63.12 C ATOM 673 CG GLU A 45 2.523 -12.119 -5.690 1.00 11.11 C ATOM 674 CD GLU A 45 2.310 -12.892 -4.403 1.00 3.02 C ATOM 675 OE1 GLU A 45 1.323 -12.603 -3.694 1.00 62.23 O ATOM 676 OE2 GLU A 45 3.130 -13.785 -4.104 1.00 44.20 O ATOM 0 H GLU A 45 0.883 -11.685 -7.930 1.00 63.30 H new ATOM 0 HA GLU A 45 -0.167 -11.845 -5.325 1.00 63.41 H new ATOM 0 HB2 GLU A 45 2.090 -10.201 -6.532 1.00 63.12 H new ATOM 0 HB3 GLU A 45 1.786 -10.313 -4.810 1.00 63.12 H new ATOM 0 HG2 GLU A 45 2.273 -12.757 -6.538 1.00 11.11 H new ATOM 0 HG3 GLU A 45 3.578 -11.861 -5.784 1.00 11.11 H new ATOM 683 N ILE A 46 -0.460 -8.904 -6.803 1.00 42.33 N ATOM 684 CA ILE A 46 -1.164 -7.629 -6.744 1.00 11.02 C ATOM 685 C ILE A 46 -2.675 -7.835 -6.741 1.00 60.24 C ATOM 686 O ILE A 46 -3.423 -7.020 -6.201 1.00 22.35 O ATOM 687 CB ILE A 46 -0.783 -6.720 -7.927 1.00 53.41 C ATOM 688 CG1 ILE A 46 0.738 -6.606 -8.042 1.00 2.52 C ATOM 689 CG2 ILE A 46 -1.412 -5.344 -7.762 1.00 31.22 C ATOM 690 CD1 ILE A 46 1.293 -7.191 -9.321 1.00 42.04 C ATOM 0 H ILE A 46 0.123 -9.026 -7.631 1.00 42.33 H new ATOM 0 HA ILE A 46 -0.864 -7.146 -5.814 1.00 11.02 H new ATOM 0 HB ILE A 46 -1.165 -7.165 -8.846 1.00 53.41 H new ATOM 0 HG12 ILE A 46 1.021 -5.555 -7.980 1.00 2.52 H new ATOM 0 HG13 ILE A 46 1.197 -7.111 -7.192 1.00 2.52 H new ATOM 0 HG21 ILE A 46 -1.133 -4.713 -8.606 1.00 31.22 H new ATOM 0 HG22 ILE A 46 -2.497 -5.442 -7.725 1.00 31.22 H new ATOM 0 HG23 ILE A 46 -1.057 -4.890 -6.837 1.00 31.22 H new ATOM 0 HD11 ILE A 46 2.377 -7.075 -9.334 1.00 42.04 H new ATOM 0 HD12 ILE A 46 1.041 -8.250 -9.376 1.00 42.04 H new ATOM 0 HD13 ILE A 46 0.862 -6.670 -10.176 1.00 42.04 H new ATOM 702 N PHE A 47 -3.118 -8.931 -7.348 1.00 61.41 N ATOM 703 CA PHE A 47 -4.540 -9.246 -7.416 1.00 32.25 C ATOM 704 C PHE A 47 -5.111 -9.487 -6.021 1.00 3.31 C ATOM 705 O PHE A 47 -6.313 -9.347 -5.798 1.00 74.41 O ATOM 706 CB PHE A 47 -4.770 -10.479 -8.293 1.00 14.35 C ATOM 707 CG PHE A 47 -5.896 -11.352 -7.816 1.00 4.03 C ATOM 708 CD1 PHE A 47 -5.687 -12.290 -6.817 1.00 51.24 C ATOM 709 CD2 PHE A 47 -7.162 -11.235 -8.366 1.00 63.34 C ATOM 710 CE1 PHE A 47 -6.720 -13.095 -6.376 1.00 55.21 C ATOM 711 CE2 PHE A 47 -8.199 -12.037 -7.929 1.00 21.12 C ATOM 712 CZ PHE A 47 -7.978 -12.969 -6.933 1.00 42.24 C ATOM 0 H PHE A 47 -2.512 -9.616 -7.800 1.00 61.41 H new ATOM 0 HA PHE A 47 -5.055 -8.393 -7.858 1.00 32.25 H new ATOM 0 HB2 PHE A 47 -4.978 -10.156 -9.313 1.00 14.35 H new ATOM 0 HB3 PHE A 47 -3.853 -11.068 -8.326 1.00 14.35 H new ATOM 0 HD1 PHE A 47 -4.706 -12.393 -6.378 1.00 51.24 H new ATOM 0 HD2 PHE A 47 -7.341 -10.509 -9.145 1.00 63.34 H new ATOM 0 HE1 PHE A 47 -6.544 -13.822 -5.597 1.00 55.21 H new ATOM 0 HE2 PHE A 47 -9.182 -11.935 -8.366 1.00 21.12 H new ATOM 0 HZ PHE A 47 -8.787 -13.598 -6.591 1.00 42.24 H new ATOM 722 N ARG A 48 -4.239 -9.849 -5.086 1.00 24.22 N ATOM 723 CA ARG A 48 -4.655 -10.111 -3.713 1.00 63.23 C ATOM 724 C ARG A 48 -4.885 -8.806 -2.957 1.00 21.34 C ATOM 725 O ARG A 48 -5.222 -8.815 -1.772 1.00 74.54 O ATOM 726 CB ARG A 48 -3.602 -10.953 -2.991 1.00 21.44 C ATOM 727 CG ARG A 48 -4.131 -12.285 -2.483 1.00 3.24 C ATOM 728 CD ARG A 48 -5.111 -12.094 -1.336 1.00 54.12 C ATOM 729 NE ARG A 48 -4.531 -12.471 -0.050 1.00 64.25 N ATOM 730 CZ ARG A 48 -5.018 -12.076 1.120 1.00 32.44 C ATOM 731 NH1 ARG A 48 -6.090 -11.297 1.167 1.00 23.02 N ATOM 732 NH2 ARG A 48 -4.434 -12.462 2.248 1.00 41.23 N ATOM 0 H ARG A 48 -3.240 -9.968 -5.254 1.00 24.22 H new ATOM 0 HA ARG A 48 -5.594 -10.664 -3.743 1.00 63.23 H new ATOM 0 HB2 ARG A 48 -2.769 -11.137 -3.669 1.00 21.44 H new ATOM 0 HB3 ARG A 48 -3.208 -10.383 -2.149 1.00 21.44 H new ATOM 0 HG2 ARG A 48 -4.622 -12.817 -3.298 1.00 3.24 H new ATOM 0 HG3 ARG A 48 -3.299 -12.906 -2.152 1.00 3.24 H new ATOM 0 HD2 ARG A 48 -5.427 -11.051 -1.299 1.00 54.12 H new ATOM 0 HD3 ARG A 48 -6.004 -12.691 -1.520 1.00 54.12 H new ATOM 0 HE ARG A 48 -3.706 -13.071 -0.051 1.00 64.25 H new ATOM 0 HH11 ARG A 48 -6.543 -11.000 0.303 1.00 23.02 H new ATOM 0 HH12 ARG A 48 -6.462 -10.995 2.068 1.00 23.02 H new ATOM 0 HH21 ARG A 48 -3.610 -13.063 2.216 1.00 41.23 H new ATOM 0 HH22 ARG A 48 -4.809 -12.158 3.146 1.00 41.23 H new ATOM 746 N ILE A 49 -4.700 -7.687 -3.648 1.00 43.10 N ATOM 747 CA ILE A 49 -4.888 -6.375 -3.041 1.00 42.14 C ATOM 748 C ILE A 49 -6.096 -5.661 -3.638 1.00 71.41 C ATOM 749 O ILE A 49 -6.507 -4.604 -3.157 1.00 64.25 O ATOM 750 CB ILE A 49 -3.642 -5.488 -3.221 1.00 4.12 C ATOM 751 CG1 ILE A 49 -2.375 -6.276 -2.881 1.00 43.22 C ATOM 752 CG2 ILE A 49 -3.747 -4.244 -2.351 1.00 53.13 C ATOM 753 CD1 ILE A 49 -2.355 -6.807 -1.465 1.00 1.20 C ATOM 0 H ILE A 49 -4.420 -7.662 -4.629 1.00 43.10 H new ATOM 0 HA ILE A 49 -5.056 -6.541 -1.977 1.00 42.14 H new ATOM 0 HB ILE A 49 -3.585 -5.175 -4.264 1.00 4.12 H new ATOM 0 HG12 ILE A 49 -2.279 -7.111 -3.575 1.00 43.22 H new ATOM 0 HG13 ILE A 49 -1.507 -5.635 -3.032 1.00 43.22 H new ATOM 0 HG21 ILE A 49 -2.859 -3.627 -2.489 1.00 53.13 H new ATOM 0 HG22 ILE A 49 -4.632 -3.675 -2.635 1.00 53.13 H new ATOM 0 HG23 ILE A 49 -3.825 -4.538 -1.304 1.00 53.13 H new ATOM 0 HD11 ILE A 49 -1.428 -7.355 -1.295 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.419 -5.975 -0.764 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -3.204 -7.474 -1.315 1.00 1.20 H new ATOM 765 N LEU A 50 -6.663 -6.247 -4.687 1.00 52.21 N ATOM 766 CA LEU A 50 -7.827 -5.668 -5.350 1.00 31.34 C ATOM 767 C LEU A 50 -9.116 -6.304 -4.839 1.00 71.44 C ATOM 768 O LEU A 50 -10.179 -5.686 -4.869 1.00 0.21 O ATOM 769 CB LEU A 50 -7.720 -5.851 -6.865 1.00 25.15 C ATOM 770 CG LEU A 50 -6.786 -4.883 -7.593 1.00 34.22 C ATOM 771 CD1 LEU A 50 -5.408 -5.501 -7.769 1.00 72.45 C ATOM 772 CD2 LEU A 50 -7.373 -4.489 -8.941 1.00 21.34 C ATOM 0 H LEU A 50 -6.336 -7.122 -5.097 1.00 52.21 H new ATOM 0 HA LEU A 50 -7.853 -4.603 -5.121 1.00 31.34 H new ATOM 0 HB2 LEU A 50 -7.384 -6.868 -7.065 1.00 25.15 H new ATOM 0 HB3 LEU A 50 -8.717 -5.754 -7.294 1.00 25.15 H new ATOM 0 HG LEU A 50 -6.682 -3.983 -6.987 1.00 34.22 H new ATOM 0 HD11 LEU A 50 -4.758 -4.798 -8.289 1.00 72.45 H new ATOM 0 HD12 LEU A 50 -4.985 -5.732 -6.791 1.00 72.45 H new ATOM 0 HD13 LEU A 50 -5.492 -6.417 -8.353 1.00 72.45 H new ATOM 0 HD21 LEU A 50 -6.696 -3.800 -9.445 1.00 21.34 H new ATOM 0 HD22 LEU A 50 -7.507 -5.380 -9.554 1.00 21.34 H new ATOM 0 HD23 LEU A 50 -8.338 -4.004 -8.790 1.00 21.34 H new ATOM 784 N ASP A 51 -9.013 -7.544 -4.370 1.00 40.40 N ATOM 785 CA ASP A 51 -10.171 -8.263 -3.851 1.00 64.33 C ATOM 786 C ASP A 51 -10.627 -7.672 -2.521 1.00 32.31 C ATOM 787 O ASP A 51 -9.890 -7.691 -1.536 1.00 41.14 O ATOM 788 CB ASP A 51 -9.839 -9.747 -3.676 1.00 44.52 C ATOM 789 CG ASP A 51 -11.073 -10.623 -3.723 1.00 33.32 C ATOM 790 OD1 ASP A 51 -12.240 -10.000 -3.839 1.00 42.44 O ATOM 791 OD2 ASP A 51 -10.980 -11.849 -3.656 1.00 21.24 O ATOM 0 H ASP A 51 -8.140 -8.071 -4.339 1.00 40.40 H new ATOM 0 HA ASP A 51 -10.983 -8.161 -4.571 1.00 64.33 H new ATOM 0 HB2 ASP A 51 -9.147 -10.057 -4.459 1.00 44.52 H new ATOM 0 HB3 ASP A 51 -9.329 -9.893 -2.724 1.00 44.52 H new ATOM 796 N ASN A 52 -11.849 -7.149 -2.500 1.00 44.34 N ATOM 797 CA ASN A 52 -12.404 -6.552 -1.291 1.00 72.11 C ATOM 798 C ASN A 52 -13.444 -7.472 -0.659 1.00 30.32 C ATOM 799 O ASN A 52 -14.187 -7.065 0.235 1.00 63.32 O ATOM 800 CB ASN A 52 -13.035 -5.195 -1.610 1.00 64.02 C ATOM 801 CG ASN A 52 -12.209 -4.036 -1.084 1.00 75.34 C ATOM 802 OD1 ASN A 52 -12.656 -3.284 -0.218 1.00 73.32 O ATOM 803 ND2 ASN A 52 -10.998 -3.887 -1.608 1.00 31.33 N ATOM 0 H ASN A 52 -12.473 -7.127 -3.306 1.00 44.34 H new ATOM 0 HA ASN A 52 -11.590 -6.409 -0.580 1.00 72.11 H new ATOM 0 HB2 ASN A 52 -13.150 -5.095 -2.689 1.00 64.02 H new ATOM 0 HB3 ASN A 52 -14.035 -5.151 -1.177 1.00 64.02 H new ATOM 0 HD21 ASN A 52 -10.397 -3.125 -1.295 1.00 31.33 H new ATOM 0 HD22 ASN A 52 -10.669 -4.535 -2.324 1.00 31.33 H new ATOM 810 N ASP A 53 -13.490 -8.714 -1.128 1.00 74.13 N ATOM 811 CA ASP A 53 -14.438 -9.693 -0.608 1.00 63.32 C ATOM 812 C ASP A 53 -13.812 -11.084 -0.564 1.00 73.01 C ATOM 813 O ASP A 53 -14.471 -12.059 -0.205 1.00 32.42 O ATOM 814 CB ASP A 53 -15.703 -9.717 -1.467 1.00 11.51 C ATOM 815 CG ASP A 53 -15.938 -8.404 -2.188 1.00 3.32 C ATOM 816 OD1 ASP A 53 -15.212 -8.125 -3.165 1.00 62.24 O ATOM 817 OD2 ASP A 53 -16.848 -7.655 -1.775 1.00 62.01 O ATOM 0 H ASP A 53 -12.882 -9.067 -1.867 1.00 74.13 H new ATOM 0 HA ASP A 53 -14.704 -9.401 0.408 1.00 63.32 H new ATOM 0 HB2 ASP A 53 -15.627 -10.521 -2.199 1.00 11.51 H new ATOM 0 HB3 ASP A 53 -16.563 -9.941 -0.836 1.00 11.51 H new ATOM 822 N GLN A 54 -12.538 -11.166 -0.933 1.00 31.32 N ATOM 823 CA GLN A 54 -11.825 -12.438 -0.937 1.00 31.22 C ATOM 824 C GLN A 54 -12.616 -13.503 -1.689 1.00 31.30 C ATOM 825 O GLN A 54 -12.414 -14.700 -1.485 1.00 61.31 O ATOM 826 CB GLN A 54 -11.558 -12.902 0.496 1.00 2.33 C ATOM 827 CG GLN A 54 -11.234 -11.765 1.453 1.00 74.32 C ATOM 828 CD GLN A 54 -9.889 -11.127 1.168 1.00 71.35 C ATOM 829 OE1 GLN A 54 -8.841 -11.700 1.467 1.00 32.33 O ATOM 830 NE2 GLN A 54 -9.911 -9.934 0.585 1.00 70.31 N ATOM 0 H GLN A 54 -11.979 -10.368 -1.233 1.00 31.32 H new ATOM 0 HA GLN A 54 -10.873 -12.290 -1.447 1.00 31.22 H new ATOM 0 HB2 GLN A 54 -12.433 -13.438 0.865 1.00 2.33 H new ATOM 0 HB3 GLN A 54 -10.729 -13.610 0.492 1.00 2.33 H new ATOM 0 HG2 GLN A 54 -12.013 -11.006 1.386 1.00 74.32 H new ATOM 0 HG3 GLN A 54 -11.243 -12.142 2.476 1.00 74.32 H new ATOM 0 HE21 GLN A 54 -10.803 -9.495 0.354 1.00 70.31 H new ATOM 0 HE22 GLN A 54 -9.036 -9.456 0.368 1.00 70.31 H new ATOM 839 N SER A 55 -13.518 -13.060 -2.559 1.00 2.40 N ATOM 840 CA SER A 55 -14.343 -13.975 -3.339 1.00 4.01 C ATOM 841 C SER A 55 -13.514 -14.672 -4.414 1.00 4.25 C ATOM 842 O SER A 55 -13.927 -15.688 -4.970 1.00 65.13 O ATOM 843 CB SER A 55 -15.507 -13.221 -3.985 1.00 64.43 C ATOM 844 OG SER A 55 -15.128 -11.901 -4.335 1.00 31.23 O ATOM 0 H SER A 55 -13.696 -12.072 -2.741 1.00 2.40 H new ATOM 0 HA SER A 55 -14.740 -14.732 -2.663 1.00 4.01 H new ATOM 0 HB2 SER A 55 -15.841 -13.755 -4.875 1.00 64.43 H new ATOM 0 HB3 SER A 55 -16.351 -13.190 -3.296 1.00 64.43 H new ATOM 0 HG SER A 55 -15.889 -11.441 -4.747 1.00 31.23 H new ATOM 850 N GLY A 56 -12.340 -14.116 -4.700 1.00 21.21 N ATOM 851 CA GLY A 56 -11.471 -14.696 -5.707 1.00 25.44 C ATOM 852 C GLY A 56 -11.442 -13.884 -6.986 1.00 4.43 C ATOM 853 O GLY A 56 -10.606 -14.117 -7.859 1.00 43.42 O ATOM 0 H GLY A 56 -11.976 -13.275 -4.252 1.00 21.21 H new ATOM 0 HA2 GLY A 56 -10.460 -14.775 -5.308 1.00 25.44 H new ATOM 0 HA3 GLY A 56 -11.805 -15.709 -5.931 1.00 25.44 H new ATOM 857 N PHE A 57 -12.358 -12.928 -7.098 1.00 43.53 N ATOM 858 CA PHE A 57 -12.436 -12.079 -8.282 1.00 3.14 C ATOM 859 C PHE A 57 -12.549 -10.609 -7.890 1.00 11.50 C ATOM 860 O PHE A 57 -12.849 -10.283 -6.741 1.00 53.20 O ATOM 861 CB PHE A 57 -13.632 -12.482 -9.146 1.00 50.22 C ATOM 862 CG PHE A 57 -13.742 -13.964 -9.364 1.00 13.11 C ATOM 863 CD1 PHE A 57 -14.397 -14.766 -8.443 1.00 42.01 C ATOM 864 CD2 PHE A 57 -13.191 -14.555 -10.489 1.00 42.03 C ATOM 865 CE1 PHE A 57 -14.500 -16.130 -8.641 1.00 34.14 C ATOM 866 CE2 PHE A 57 -13.292 -15.918 -10.692 1.00 65.33 C ATOM 867 CZ PHE A 57 -13.946 -16.707 -9.766 1.00 70.02 C ATOM 0 H PHE A 57 -13.057 -12.721 -6.384 1.00 43.53 H new ATOM 0 HA PHE A 57 -11.520 -12.214 -8.857 1.00 3.14 H new ATOM 0 HB2 PHE A 57 -14.547 -12.123 -8.675 1.00 50.22 H new ATOM 0 HB3 PHE A 57 -13.555 -11.985 -10.113 1.00 50.22 H new ATOM 0 HD1 PHE A 57 -14.832 -14.320 -7.561 1.00 42.01 H new ATOM 0 HD2 PHE A 57 -12.677 -13.944 -11.216 1.00 42.03 H new ATOM 0 HE1 PHE A 57 -15.014 -16.744 -7.916 1.00 34.14 H new ATOM 0 HE2 PHE A 57 -12.860 -16.366 -11.574 1.00 65.33 H new ATOM 0 HZ PHE A 57 -14.024 -17.773 -9.922 1.00 70.02 H new ATOM 877 N ILE A 58 -12.306 -9.726 -8.853 1.00 13.32 N ATOM 878 CA ILE A 58 -12.382 -8.291 -8.609 1.00 44.52 C ATOM 879 C ILE A 58 -13.451 -7.640 -9.481 1.00 24.31 C ATOM 880 O ILE A 58 -13.197 -7.291 -10.633 1.00 51.40 O ATOM 881 CB ILE A 58 -11.030 -7.603 -8.876 1.00 4.43 C ATOM 882 CG1 ILE A 58 -9.934 -8.232 -8.013 1.00 2.42 C ATOM 883 CG2 ILE A 58 -11.133 -6.109 -8.605 1.00 22.11 C ATOM 884 CD1 ILE A 58 -8.589 -8.304 -8.702 1.00 31.12 C ATOM 0 H ILE A 58 -12.055 -9.979 -9.809 1.00 13.32 H new ATOM 0 HA ILE A 58 -12.646 -8.163 -7.559 1.00 44.52 H new ATOM 0 HB ILE A 58 -10.768 -7.745 -9.924 1.00 4.43 H new ATOM 0 HG12 ILE A 58 -9.832 -7.656 -7.093 1.00 2.42 H new ATOM 0 HG13 ILE A 58 -10.241 -9.238 -7.727 1.00 2.42 H new ATOM 0 HG21 ILE A 58 -10.170 -5.637 -8.798 1.00 22.11 H new ATOM 0 HG22 ILE A 58 -11.889 -5.672 -9.258 1.00 22.11 H new ATOM 0 HG23 ILE A 58 -11.415 -5.946 -7.565 1.00 22.11 H new ATOM 0 HD11 ILE A 58 -7.861 -8.761 -8.032 1.00 31.12 H new ATOM 0 HD12 ILE A 58 -8.676 -8.905 -9.607 1.00 31.12 H new ATOM 0 HD13 ILE A 58 -8.260 -7.298 -8.964 1.00 31.12 H new ATOM 896 N GLU A 59 -14.646 -7.480 -8.921 1.00 61.34 N ATOM 897 CA GLU A 59 -15.753 -6.871 -9.648 1.00 53.33 C ATOM 898 C GLU A 59 -15.478 -5.395 -9.922 1.00 44.01 C ATOM 899 O GLU A 59 -14.475 -4.846 -9.467 1.00 63.12 O ATOM 900 CB GLU A 59 -17.055 -7.020 -8.858 1.00 2.53 C ATOM 901 CG GLU A 59 -17.316 -8.437 -8.376 1.00 3.21 C ATOM 902 CD GLU A 59 -16.894 -8.650 -6.935 1.00 63.11 C ATOM 903 OE1 GLU A 59 -17.621 -8.192 -6.029 1.00 44.33 O ATOM 904 OE2 GLU A 59 -15.836 -9.276 -6.714 1.00 21.20 O ATOM 0 H GLU A 59 -14.872 -7.763 -7.968 1.00 61.34 H new ATOM 0 HA GLU A 59 -15.854 -7.387 -10.603 1.00 53.33 H new ATOM 0 HB2 GLU A 59 -17.026 -6.352 -7.997 1.00 2.53 H new ATOM 0 HB3 GLU A 59 -17.888 -6.699 -9.483 1.00 2.53 H new ATOM 0 HG2 GLU A 59 -18.378 -8.661 -8.477 1.00 3.21 H new ATOM 0 HG3 GLU A 59 -16.780 -9.139 -9.015 1.00 3.21 H new ATOM 911 N GLU A 60 -16.375 -4.760 -10.669 1.00 54.12 N ATOM 912 CA GLU A 60 -16.228 -3.349 -11.005 1.00 1.42 C ATOM 913 C GLU A 60 -16.205 -2.489 -9.744 1.00 71.11 C ATOM 914 O GLU A 60 -15.519 -1.468 -9.688 1.00 74.13 O ATOM 915 CB GLU A 60 -17.367 -2.898 -11.922 1.00 43.10 C ATOM 916 CG GLU A 60 -17.111 -3.180 -13.393 1.00 52.21 C ATOM 917 CD GLU A 60 -18.362 -3.044 -14.239 1.00 33.30 C ATOM 918 OE1 GLU A 60 -19.405 -3.613 -13.853 1.00 2.43 O ATOM 919 OE2 GLU A 60 -18.298 -2.369 -15.288 1.00 34.03 O ATOM 0 H GLU A 60 -17.211 -5.200 -11.053 1.00 54.12 H new ATOM 0 HA GLU A 60 -15.280 -3.224 -11.527 1.00 1.42 H new ATOM 0 HB2 GLU A 60 -18.286 -3.399 -11.619 1.00 43.10 H new ATOM 0 HB3 GLU A 60 -17.528 -1.828 -11.788 1.00 43.10 H new ATOM 0 HG2 GLU A 60 -16.350 -2.494 -13.764 1.00 52.21 H new ATOM 0 HG3 GLU A 60 -16.711 -4.188 -13.502 1.00 52.21 H new ATOM 926 N ASP A 61 -16.960 -2.910 -8.735 1.00 41.50 N ATOM 927 CA ASP A 61 -17.027 -2.180 -7.474 1.00 41.54 C ATOM 928 C ASP A 61 -15.652 -2.101 -6.818 1.00 61.12 C ATOM 929 O ASP A 61 -15.418 -1.267 -5.944 1.00 40.14 O ATOM 930 CB ASP A 61 -18.021 -2.849 -6.525 1.00 34.22 C ATOM 931 CG ASP A 61 -18.426 -1.944 -5.378 1.00 21.43 C ATOM 932 OD1 ASP A 61 -18.886 -0.815 -5.647 1.00 24.10 O ATOM 933 OD2 ASP A 61 -18.282 -2.365 -4.210 1.00 61.14 O ATOM 0 H ASP A 61 -17.534 -3.753 -8.766 1.00 41.50 H new ATOM 0 HA ASP A 61 -17.367 -1.166 -7.687 1.00 41.54 H new ATOM 0 HB2 ASP A 61 -18.910 -3.143 -7.083 1.00 34.22 H new ATOM 0 HB3 ASP A 61 -17.579 -3.762 -6.125 1.00 34.22 H new ATOM 938 N GLU A 62 -14.747 -2.976 -7.245 1.00 71.42 N ATOM 939 CA GLU A 62 -13.396 -3.007 -6.697 1.00 52.40 C ATOM 940 C GLU A 62 -12.366 -2.670 -7.771 1.00 64.50 C ATOM 941 O GLU A 62 -11.213 -2.362 -7.466 1.00 44.14 O ATOM 942 CB GLU A 62 -13.095 -4.382 -6.099 1.00 34.34 C ATOM 943 CG GLU A 62 -13.912 -5.506 -6.714 1.00 55.33 C ATOM 944 CD GLU A 62 -13.973 -6.735 -5.829 1.00 74.53 C ATOM 945 OE1 GLU A 62 -12.900 -7.279 -5.495 1.00 44.11 O ATOM 946 OE2 GLU A 62 -15.094 -7.155 -5.471 1.00 43.42 O ATOM 0 H GLU A 62 -14.925 -3.673 -7.969 1.00 71.42 H new ATOM 0 HA GLU A 62 -13.334 -2.256 -5.910 1.00 52.40 H new ATOM 0 HB2 GLU A 62 -12.035 -4.601 -6.229 1.00 34.34 H new ATOM 0 HB3 GLU A 62 -13.285 -4.352 -5.026 1.00 34.34 H new ATOM 0 HG2 GLU A 62 -14.924 -5.151 -6.906 1.00 55.33 H new ATOM 0 HG3 GLU A 62 -13.481 -5.778 -7.678 1.00 55.33 H new ATOM 953 N LEU A 63 -12.789 -2.733 -9.029 1.00 23.13 N ATOM 954 CA LEU A 63 -11.903 -2.436 -10.149 1.00 74.25 C ATOM 955 C LEU A 63 -11.695 -0.932 -10.295 1.00 72.23 C ATOM 956 O LEU A 63 -10.645 -0.481 -10.752 1.00 24.10 O ATOM 957 CB LEU A 63 -12.478 -3.011 -11.445 1.00 73.02 C ATOM 958 CG LEU A 63 -11.474 -3.672 -12.390 1.00 20.21 C ATOM 959 CD1 LEU A 63 -12.149 -4.069 -13.694 1.00 21.14 C ATOM 960 CD2 LEU A 63 -10.300 -2.741 -12.657 1.00 31.34 C ATOM 0 H LEU A 63 -13.739 -2.987 -9.299 1.00 23.13 H new ATOM 0 HA LEU A 63 -10.937 -2.900 -9.949 1.00 74.25 H new ATOM 0 HB2 LEU A 63 -13.241 -3.745 -11.186 1.00 73.02 H new ATOM 0 HB3 LEU A 63 -12.979 -2.207 -11.984 1.00 73.02 H new ATOM 0 HG LEU A 63 -11.095 -4.575 -11.912 1.00 20.21 H new ATOM 0 HD11 LEU A 63 -11.419 -4.538 -14.354 1.00 21.14 H new ATOM 0 HD12 LEU A 63 -12.955 -4.773 -13.487 1.00 21.14 H new ATOM 0 HD13 LEU A 63 -12.557 -3.181 -14.177 1.00 21.14 H new ATOM 0 HD21 LEU A 63 -9.596 -3.228 -13.331 1.00 31.34 H new ATOM 0 HD22 LEU A 63 -10.662 -1.820 -13.114 1.00 31.34 H new ATOM 0 HD23 LEU A 63 -9.800 -2.507 -11.717 1.00 31.34 H new ATOM 972 N LYS A 64 -12.702 -0.160 -9.902 1.00 55.14 N ATOM 973 CA LYS A 64 -12.630 1.294 -9.985 1.00 70.04 C ATOM 974 C LYS A 64 -11.505 1.834 -9.108 1.00 70.30 C ATOM 975 O LYS A 64 -10.933 2.886 -9.393 1.00 64.23 O ATOM 976 CB LYS A 64 -13.963 1.916 -9.564 1.00 51.50 C ATOM 977 CG LYS A 64 -14.547 1.307 -8.302 1.00 31.45 C ATOM 978 CD LYS A 64 -15.240 2.354 -7.445 1.00 64.43 C ATOM 979 CE LYS A 64 -16.471 2.916 -8.139 1.00 62.23 C ATOM 980 NZ LYS A 64 -17.652 2.950 -7.233 1.00 5.15 N ATOM 0 H LYS A 64 -13.579 -0.517 -9.522 1.00 55.14 H new ATOM 0 HA LYS A 64 -12.421 1.564 -11.020 1.00 70.04 H new ATOM 0 HB2 LYS A 64 -13.822 2.986 -9.410 1.00 51.50 H new ATOM 0 HB3 LYS A 64 -14.680 1.803 -10.377 1.00 51.50 H new ATOM 0 HG2 LYS A 64 -15.259 0.526 -8.570 1.00 31.45 H new ATOM 0 HG3 LYS A 64 -13.753 0.831 -7.726 1.00 31.45 H new ATOM 0 HD2 LYS A 64 -15.529 1.912 -6.491 1.00 64.43 H new ATOM 0 HD3 LYS A 64 -14.544 3.163 -7.224 1.00 64.43 H new ATOM 0 HE2 LYS A 64 -16.258 3.924 -8.496 1.00 62.23 H new ATOM 0 HE3 LYS A 64 -16.703 2.310 -9.015 1.00 62.23 H new ATOM 0 HZ1 LYS A 64 -18.470 3.339 -7.744 1.00 5.15 H new ATOM 0 HZ2 LYS A 64 -17.871 1.985 -6.912 1.00 5.15 H new ATOM 0 HZ3 LYS A 64 -17.441 3.549 -6.410 1.00 5.15 H new ATOM 994 N TYR A 65 -11.192 1.107 -8.041 1.00 74.53 N ATOM 995 CA TYR A 65 -10.136 1.513 -7.122 1.00 12.10 C ATOM 996 C TYR A 65 -8.759 1.229 -7.714 1.00 52.24 C ATOM 997 O TYR A 65 -7.773 1.102 -6.989 1.00 24.40 O ATOM 998 CB TYR A 65 -10.288 0.787 -5.784 1.00 61.24 C ATOM 999 CG TYR A 65 -11.483 1.245 -4.979 1.00 24.23 C ATOM 1000 CD1 TYR A 65 -11.806 2.593 -4.885 1.00 30.03 C ATOM 1001 CD2 TYR A 65 -12.287 0.330 -4.311 1.00 11.12 C ATOM 1002 CE1 TYR A 65 -12.896 3.016 -4.149 1.00 52.33 C ATOM 1003 CE2 TYR A 65 -13.380 0.744 -3.574 1.00 40.33 C ATOM 1004 CZ TYR A 65 -13.680 2.088 -3.496 1.00 53.24 C ATOM 1005 OH TYR A 65 -14.767 2.505 -2.763 1.00 32.15 O ATOM 0 H TYR A 65 -11.655 0.233 -7.791 1.00 74.53 H new ATOM 0 HA TYR A 65 -10.226 2.587 -6.957 1.00 12.10 H new ATOM 0 HB2 TYR A 65 -10.374 -0.284 -5.969 1.00 61.24 H new ATOM 0 HB3 TYR A 65 -9.384 0.937 -5.194 1.00 61.24 H new ATOM 0 HD1 TYR A 65 -11.195 3.322 -5.396 1.00 30.03 H new ATOM 0 HD2 TYR A 65 -12.054 -0.723 -4.369 1.00 11.12 H new ATOM 0 HE1 TYR A 65 -13.133 4.068 -4.085 1.00 52.33 H new ATOM 0 HE2 TYR A 65 -13.996 0.019 -3.062 1.00 40.33 H new ATOM 0 HH TYR A 65 -15.213 1.727 -2.368 1.00 32.15 H new ATOM 1015 N PHE A 66 -8.701 1.132 -9.038 1.00 44.14 N ATOM 1016 CA PHE A 66 -7.445 0.863 -9.730 1.00 75.04 C ATOM 1017 C PHE A 66 -6.373 1.869 -9.323 1.00 11.03 C ATOM 1018 O PHE A 66 -5.213 1.509 -9.119 1.00 62.14 O ATOM 1019 CB PHE A 66 -7.654 0.909 -11.246 1.00 21.35 C ATOM 1020 CG PHE A 66 -6.401 0.646 -12.031 1.00 40.42 C ATOM 1021 CD1 PHE A 66 -5.371 1.573 -12.048 1.00 53.41 C ATOM 1022 CD2 PHE A 66 -6.253 -0.527 -12.752 1.00 64.34 C ATOM 1023 CE1 PHE A 66 -4.218 1.335 -12.771 1.00 23.31 C ATOM 1024 CE2 PHE A 66 -5.101 -0.772 -13.477 1.00 11.32 C ATOM 1025 CZ PHE A 66 -4.082 0.160 -13.485 1.00 41.21 C ATOM 0 H PHE A 66 -9.508 1.235 -9.653 1.00 44.14 H new ATOM 0 HA PHE A 66 -7.109 -0.134 -9.446 1.00 75.04 H new ATOM 0 HB2 PHE A 66 -8.408 0.173 -11.523 1.00 21.35 H new ATOM 0 HB3 PHE A 66 -8.047 1.888 -11.521 1.00 21.35 H new ATOM 0 HD1 PHE A 66 -5.471 2.492 -11.490 1.00 53.41 H new ATOM 0 HD2 PHE A 66 -7.047 -1.259 -12.748 1.00 64.34 H new ATOM 0 HE1 PHE A 66 -3.424 2.067 -12.778 1.00 23.31 H new ATOM 0 HE2 PHE A 66 -4.999 -1.690 -14.036 1.00 11.32 H new ATOM 0 HZ PHE A 66 -3.180 -0.029 -14.048 1.00 41.21 H new ATOM 1035 N LEU A 67 -6.769 3.132 -9.206 1.00 31.45 N ATOM 1036 CA LEU A 67 -5.843 4.192 -8.823 1.00 22.44 C ATOM 1037 C LEU A 67 -5.595 4.181 -7.317 1.00 54.05 C ATOM 1038 O LEU A 67 -4.691 4.854 -6.823 1.00 60.34 O ATOM 1039 CB LEU A 67 -6.390 5.554 -9.251 1.00 74.04 C ATOM 1040 CG LEU A 67 -7.161 5.582 -10.571 1.00 55.15 C ATOM 1041 CD1 LEU A 67 -7.147 6.981 -11.168 1.00 71.24 C ATOM 1042 CD2 LEU A 67 -6.577 4.576 -11.552 1.00 71.21 C ATOM 0 H LEU A 67 -7.725 3.447 -9.371 1.00 31.45 H new ATOM 0 HA LEU A 67 -4.895 4.013 -9.330 1.00 22.44 H new ATOM 0 HB2 LEU A 67 -7.045 5.924 -8.463 1.00 74.04 H new ATOM 0 HB3 LEU A 67 -5.556 6.251 -9.326 1.00 74.04 H new ATOM 0 HG LEU A 67 -8.196 5.305 -10.371 1.00 55.15 H new ATOM 0 HD11 LEU A 67 -7.701 6.981 -12.107 1.00 71.24 H new ATOM 0 HD12 LEU A 67 -7.613 7.678 -10.472 1.00 71.24 H new ATOM 0 HD13 LEU A 67 -6.117 7.287 -11.354 1.00 71.24 H new ATOM 0 HD21 LEU A 67 -7.138 4.610 -12.486 1.00 71.21 H new ATOM 0 HD22 LEU A 67 -5.533 4.822 -11.747 1.00 71.21 H new ATOM 0 HD23 LEU A 67 -6.640 3.574 -11.127 1.00 71.21 H new ATOM 1054 N GLN A 68 -6.404 3.412 -6.595 1.00 63.25 N ATOM 1055 CA GLN A 68 -6.271 3.313 -5.147 1.00 21.22 C ATOM 1056 C GLN A 68 -5.241 2.255 -4.766 1.00 21.44 C ATOM 1057 O GLN A 68 -5.050 1.957 -3.586 1.00 44.04 O ATOM 1058 CB GLN A 68 -7.622 2.979 -4.511 1.00 44.12 C ATOM 1059 CG GLN A 68 -8.235 4.138 -3.742 1.00 40.01 C ATOM 1060 CD GLN A 68 -9.403 4.770 -4.473 1.00 10.42 C ATOM 1061 OE1 GLN A 68 -10.478 4.959 -3.903 1.00 11.22 O ATOM 1062 NE2 GLN A 68 -9.198 5.102 -5.742 1.00 71.22 N ATOM 0 H GLN A 68 -7.158 2.849 -6.989 1.00 63.25 H new ATOM 0 HA GLN A 68 -5.930 4.278 -4.772 1.00 21.22 H new ATOM 0 HB2 GLN A 68 -8.314 2.665 -5.292 1.00 44.12 H new ATOM 0 HB3 GLN A 68 -7.497 2.132 -3.837 1.00 44.12 H new ATOM 0 HG2 GLN A 68 -8.570 3.785 -2.766 1.00 40.01 H new ATOM 0 HG3 GLN A 68 -7.471 4.895 -3.563 1.00 40.01 H new ATOM 0 HE21 GLN A 68 -8.291 4.927 -6.175 1.00 71.22 H new ATOM 0 HE22 GLN A 68 -9.947 5.532 -6.284 1.00 71.22 H new ATOM 1071 N ARG A 69 -4.580 1.690 -5.771 1.00 35.40 N ATOM 1072 CA ARG A 69 -3.571 0.663 -5.541 1.00 10.11 C ATOM 1073 C ARG A 69 -2.166 1.246 -5.660 1.00 1.23 C ATOM 1074 O ARG A 69 -1.286 0.942 -4.854 1.00 70.11 O ATOM 1075 CB ARG A 69 -3.744 -0.485 -6.537 1.00 12.00 C ATOM 1076 CG ARG A 69 -5.155 -1.048 -6.578 1.00 34.11 C ATOM 1077 CD ARG A 69 -5.522 -1.532 -7.972 1.00 62.02 C ATOM 1078 NE ARG A 69 -4.647 -2.610 -8.425 1.00 30.31 N ATOM 1079 CZ ARG A 69 -4.623 -3.062 -9.674 1.00 1.31 C ATOM 1080 NH1 ARG A 69 -5.421 -2.531 -10.590 1.00 0.52 N ATOM 1081 NH2 ARG A 69 -3.799 -4.046 -10.009 1.00 62.21 N ATOM 0 H ARG A 69 -4.725 1.926 -6.753 1.00 35.40 H new ATOM 0 HA ARG A 69 -3.703 0.280 -4.529 1.00 10.11 H new ATOM 0 HB2 ARG A 69 -3.473 -0.135 -7.533 1.00 12.00 H new ATOM 0 HB3 ARG A 69 -3.050 -1.285 -6.280 1.00 12.00 H new ATOM 0 HG2 ARG A 69 -5.239 -1.874 -5.871 1.00 34.11 H new ATOM 0 HG3 ARG A 69 -5.863 -0.283 -6.260 1.00 34.11 H new ATOM 0 HD2 ARG A 69 -6.555 -1.878 -7.975 1.00 62.02 H new ATOM 0 HD3 ARG A 69 -5.463 -0.699 -8.672 1.00 62.02 H new ATOM 0 HE ARG A 69 -4.020 -3.040 -7.745 1.00 30.31 H new ATOM 0 HH11 ARG A 69 -6.055 -1.774 -10.336 1.00 0.52 H new ATOM 0 HH12 ARG A 69 -5.401 -2.880 -11.548 1.00 0.52 H new ATOM 0 HH21 ARG A 69 -3.183 -4.456 -9.307 1.00 62.21 H new ATOM 0 HH22 ARG A 69 -3.781 -4.392 -10.968 1.00 62.21 H new ATOM 1095 N PHE A 70 -1.963 2.085 -6.670 1.00 5.20 N ATOM 1096 CA PHE A 70 -0.664 2.710 -6.895 1.00 72.25 C ATOM 1097 C PHE A 70 -0.570 4.046 -6.165 1.00 44.45 C ATOM 1098 O PHE A 70 0.519 4.493 -5.807 1.00 44.31 O ATOM 1099 CB PHE A 70 -0.427 2.916 -8.393 1.00 22.21 C ATOM 1100 CG PHE A 70 -0.503 1.646 -9.192 1.00 41.41 C ATOM 1101 CD1 PHE A 70 -1.729 1.109 -9.549 1.00 12.20 C ATOM 1102 CD2 PHE A 70 0.652 0.990 -9.586 1.00 70.01 C ATOM 1103 CE1 PHE A 70 -1.803 -0.059 -10.285 1.00 2.43 C ATOM 1104 CE2 PHE A 70 0.585 -0.178 -10.322 1.00 54.22 C ATOM 1105 CZ PHE A 70 -0.644 -0.703 -10.671 1.00 32.41 C ATOM 0 H PHE A 70 -2.681 2.348 -7.346 1.00 5.20 H new ATOM 0 HA PHE A 70 0.105 2.046 -6.500 1.00 72.25 H new ATOM 0 HB2 PHE A 70 -1.165 3.621 -8.776 1.00 22.21 H new ATOM 0 HB3 PHE A 70 0.553 3.369 -8.539 1.00 22.21 H new ATOM 0 HD1 PHE A 70 -2.638 1.609 -9.249 1.00 12.20 H new ATOM 0 HD2 PHE A 70 1.615 1.396 -9.315 1.00 70.01 H new ATOM 0 HE1 PHE A 70 -2.765 -0.467 -10.557 1.00 2.43 H new ATOM 0 HE2 PHE A 70 1.493 -0.680 -10.624 1.00 54.22 H new ATOM 0 HZ PHE A 70 -0.698 -1.616 -11.245 1.00 32.41 H new ATOM 1115 N GLU A 71 -1.719 4.679 -5.950 1.00 21.22 N ATOM 1116 CA GLU A 71 -1.765 5.965 -5.264 1.00 73.11 C ATOM 1117 C GLU A 71 -2.242 5.797 -3.824 1.00 60.22 C ATOM 1118 O GLU A 71 -1.865 6.566 -2.940 1.00 64.03 O ATOM 1119 CB GLU A 71 -2.688 6.932 -6.009 1.00 31.03 C ATOM 1120 CG GLU A 71 -2.249 8.384 -5.917 1.00 74.25 C ATOM 1121 CD GLU A 71 -2.632 9.027 -4.599 1.00 13.22 C ATOM 1122 OE1 GLU A 71 -3.804 9.435 -4.457 1.00 32.03 O ATOM 1123 OE2 GLU A 71 -1.761 9.123 -3.710 1.00 1.33 O ATOM 0 H GLU A 71 -2.629 4.323 -6.241 1.00 21.22 H new ATOM 0 HA GLU A 71 -0.756 6.376 -5.248 1.00 73.11 H new ATOM 0 HB2 GLU A 71 -2.735 6.641 -7.058 1.00 31.03 H new ATOM 0 HB3 GLU A 71 -3.697 6.840 -5.608 1.00 31.03 H new ATOM 0 HG2 GLU A 71 -1.168 8.442 -6.044 1.00 74.25 H new ATOM 0 HG3 GLU A 71 -2.697 8.948 -6.736 1.00 74.25 H new ATOM 1130 N SER A 72 -3.074 4.786 -3.597 1.00 32.42 N ATOM 1131 CA SER A 72 -3.607 4.518 -2.266 1.00 4.32 C ATOM 1132 C SER A 72 -4.365 5.729 -1.731 1.00 10.22 C ATOM 1133 O SER A 72 -3.992 6.309 -0.712 1.00 20.01 O ATOM 1134 CB SER A 72 -2.475 4.146 -1.306 1.00 2.30 C ATOM 1135 OG SER A 72 -2.966 3.411 -0.199 1.00 31.31 O ATOM 0 H SER A 72 -3.394 4.139 -4.317 1.00 32.42 H new ATOM 0 HA SER A 72 -4.301 3.681 -2.341 1.00 4.32 H new ATOM 0 HB2 SER A 72 -1.725 3.557 -1.834 1.00 2.30 H new ATOM 0 HB3 SER A 72 -1.980 5.051 -0.955 1.00 2.30 H new ATOM 0 HG SER A 72 -2.223 3.184 0.399 1.00 31.31 H new ATOM 1141 N GLY A 73 -5.433 6.106 -2.427 1.00 74.42 N ATOM 1142 CA GLY A 73 -6.228 7.245 -2.008 1.00 52.22 C ATOM 1143 C GLY A 73 -6.717 8.073 -3.180 1.00 12.42 C ATOM 1144 O GLY A 73 -7.581 8.936 -3.022 1.00 21.54 O ATOM 0 H GLY A 73 -5.762 5.643 -3.274 1.00 74.42 H new ATOM 0 HA2 GLY A 73 -7.085 6.894 -1.432 1.00 52.22 H new ATOM 0 HA3 GLY A 73 -5.634 7.874 -1.345 1.00 52.22 H new ATOM 1148 N ALA A 74 -6.163 7.813 -4.359 1.00 65.31 N ATOM 1149 CA ALA A 74 -6.548 8.540 -5.562 1.00 3.20 C ATOM 1150 C ALA A 74 -8.033 8.363 -5.859 1.00 1.33 C ATOM 1151 O ALA A 74 -8.761 7.743 -5.084 1.00 23.44 O ATOM 1152 CB ALA A 74 -5.712 8.080 -6.747 1.00 72.04 C ATOM 0 H ALA A 74 -5.445 7.104 -4.507 1.00 65.31 H new ATOM 0 HA ALA A 74 -6.363 9.600 -5.391 1.00 3.20 H new ATOM 0 HB1 ALA A 74 -6.010 8.631 -7.639 1.00 72.04 H new ATOM 0 HB2 ALA A 74 -4.658 8.265 -6.542 1.00 72.04 H new ATOM 0 HB3 ALA A 74 -5.868 7.014 -6.911 1.00 72.04 H new ATOM 1158 N ARG A 75 -8.476 8.913 -6.985 1.00 33.05 N ATOM 1159 CA ARG A 75 -9.876 8.817 -7.382 1.00 43.21 C ATOM 1160 C ARG A 75 -10.193 7.426 -7.922 1.00 34.20 C ATOM 1161 O ARG A 75 -9.308 6.579 -8.045 1.00 34.12 O ATOM 1162 CB ARG A 75 -10.201 9.873 -8.440 1.00 63.03 C ATOM 1163 CG ARG A 75 -9.541 9.611 -9.784 1.00 51.35 C ATOM 1164 CD ARG A 75 -9.816 10.737 -10.769 1.00 12.44 C ATOM 1165 NE ARG A 75 -11.237 11.070 -10.836 1.00 44.52 N ATOM 1166 CZ ARG A 75 -12.119 10.386 -11.556 1.00 24.55 C ATOM 1167 NH1 ARG A 75 -11.728 9.335 -12.264 1.00 53.35 N ATOM 1168 NH2 ARG A 75 -13.394 10.750 -11.566 1.00 53.41 N ATOM 0 H ARG A 75 -7.886 9.429 -7.638 1.00 33.05 H new ATOM 0 HA ARG A 75 -10.491 8.995 -6.500 1.00 43.21 H new ATOM 0 HB2 ARG A 75 -11.281 9.917 -8.578 1.00 63.03 H new ATOM 0 HB3 ARG A 75 -9.886 10.850 -8.074 1.00 63.03 H new ATOM 0 HG2 ARG A 75 -8.465 9.501 -9.647 1.00 51.35 H new ATOM 0 HG3 ARG A 75 -9.908 8.670 -10.194 1.00 51.35 H new ATOM 0 HD2 ARG A 75 -9.250 11.621 -10.476 1.00 12.44 H new ATOM 0 HD3 ARG A 75 -9.464 10.447 -11.759 1.00 12.44 H new ATOM 0 HE ARG A 75 -11.570 11.872 -10.300 1.00 44.52 H new ATOM 0 HH11 ARG A 75 -10.748 9.051 -12.256 1.00 53.35 H new ATOM 0 HH12 ARG A 75 -12.407 8.811 -12.816 1.00 53.35 H new ATOM 0 HH21 ARG A 75 -13.699 11.556 -11.020 1.00 53.41 H new ATOM 0 HH22 ARG A 75 -14.070 10.224 -12.119 1.00 53.41 H new ATOM 1182 N VAL A 76 -11.463 7.197 -8.242 1.00 70.44 N ATOM 1183 CA VAL A 76 -11.898 5.909 -8.770 1.00 20.35 C ATOM 1184 C VAL A 76 -12.151 5.987 -10.271 1.00 21.51 C ATOM 1185 O VAL A 76 -12.497 7.044 -10.799 1.00 62.05 O ATOM 1186 CB VAL A 76 -13.179 5.419 -8.069 1.00 13.32 C ATOM 1187 CG1 VAL A 76 -13.131 5.740 -6.583 1.00 32.13 C ATOM 1188 CG2 VAL A 76 -14.409 6.037 -8.716 1.00 54.24 C ATOM 0 H VAL A 76 -12.208 7.886 -8.145 1.00 70.44 H new ATOM 0 HA VAL A 76 -11.093 5.200 -8.577 1.00 20.35 H new ATOM 0 HB VAL A 76 -13.242 4.337 -8.181 1.00 13.32 H new ATOM 0 HG11 VAL A 76 -14.044 5.386 -6.105 1.00 32.13 H new ATOM 0 HG12 VAL A 76 -12.270 5.246 -6.132 1.00 32.13 H new ATOM 0 HG13 VAL A 76 -13.044 6.818 -6.446 1.00 32.13 H new ATOM 0 HG21 VAL A 76 -15.305 5.680 -8.209 1.00 54.24 H new ATOM 0 HG22 VAL A 76 -14.355 7.123 -8.637 1.00 54.24 H new ATOM 0 HG23 VAL A 76 -14.449 5.752 -9.767 1.00 54.24 H new ATOM 1198 N LEU A 77 -11.977 4.860 -10.954 1.00 1.34 N ATOM 1199 CA LEU A 77 -12.187 4.800 -12.396 1.00 21.31 C ATOM 1200 C LEU A 77 -13.590 5.274 -12.762 1.00 65.04 C ATOM 1201 O LEU A 77 -14.561 4.968 -12.071 1.00 33.05 O ATOM 1202 CB LEU A 77 -11.970 3.373 -12.903 1.00 42.03 C ATOM 1203 CG LEU A 77 -10.599 2.760 -12.616 1.00 22.21 C ATOM 1204 CD1 LEU A 77 -10.507 1.359 -13.201 1.00 14.00 C ATOM 1205 CD2 LEU A 77 -9.492 3.645 -13.170 1.00 60.35 C ATOM 0 H LEU A 77 -11.691 3.976 -10.532 1.00 1.34 H new ATOM 0 HA LEU A 77 -11.464 5.462 -12.872 1.00 21.31 H new ATOM 0 HB2 LEU A 77 -12.732 2.732 -12.460 1.00 42.03 H new ATOM 0 HB3 LEU A 77 -12.132 3.363 -13.981 1.00 42.03 H new ATOM 0 HG LEU A 77 -10.474 2.689 -11.536 1.00 22.21 H new ATOM 0 HD11 LEU A 77 -9.524 0.939 -12.987 1.00 14.00 H new ATOM 0 HD12 LEU A 77 -11.276 0.728 -12.756 1.00 14.00 H new ATOM 0 HD13 LEU A 77 -10.654 1.405 -14.280 1.00 14.00 H new ATOM 0 HD21 LEU A 77 -8.523 3.193 -12.956 1.00 60.35 H new ATOM 0 HD22 LEU A 77 -9.614 3.749 -14.248 1.00 60.35 H new ATOM 0 HD23 LEU A 77 -9.544 4.628 -12.703 1.00 60.35 H new ATOM 1217 N THR A 78 -13.689 6.022 -13.857 1.00 3.10 N ATOM 1218 CA THR A 78 -14.972 6.538 -14.317 1.00 20.25 C ATOM 1219 C THR A 78 -15.784 5.452 -15.013 1.00 65.41 C ATOM 1220 O THR A 78 -15.379 4.290 -15.052 1.00 30.03 O ATOM 1221 CB THR A 78 -14.788 7.724 -15.282 1.00 64.31 C ATOM 1222 OG1 THR A 78 -16.065 8.242 -15.671 1.00 64.32 O ATOM 1223 CG2 THR A 78 -14.009 7.299 -16.518 1.00 2.30 C ATOM 0 H THR A 78 -12.895 6.284 -14.442 1.00 3.10 H new ATOM 0 HA THR A 78 -15.510 6.880 -13.433 1.00 20.25 H new ATOM 0 HB THR A 78 -14.224 8.501 -14.765 1.00 64.31 H new ATOM 0 HG1 THR A 78 -16.595 8.441 -14.871 1.00 64.32 H new ATOM 0 HG21 THR A 78 -13.891 8.153 -17.185 1.00 2.30 H new ATOM 0 HG22 THR A 78 -13.026 6.933 -16.221 1.00 2.30 H new ATOM 0 HG23 THR A 78 -14.551 6.507 -17.035 1.00 2.30 H new ATOM 1231 N ALA A 79 -16.930 5.837 -15.563 1.00 53.10 N ATOM 1232 CA ALA A 79 -17.797 4.896 -16.261 1.00 33.11 C ATOM 1233 C ALA A 79 -17.217 4.519 -17.620 1.00 55.31 C ATOM 1234 O ALA A 79 -17.761 3.667 -18.323 1.00 1.31 O ATOM 1235 CB ALA A 79 -19.191 5.484 -16.424 1.00 72.51 C ATOM 0 H ALA A 79 -17.280 6.795 -15.539 1.00 53.10 H new ATOM 0 HA ALA A 79 -17.865 3.989 -15.661 1.00 33.11 H new ATOM 0 HB1 ALA A 79 -19.828 4.771 -16.947 1.00 72.51 H new ATOM 0 HB2 ALA A 79 -19.614 5.696 -15.442 1.00 72.51 H new ATOM 0 HB3 ALA A 79 -19.131 6.407 -17.000 1.00 72.51 H new ATOM 1241 N SER A 80 -16.111 5.160 -17.985 1.00 15.24 N ATOM 1242 CA SER A 80 -15.460 4.895 -19.262 1.00 54.42 C ATOM 1243 C SER A 80 -14.093 4.253 -19.052 1.00 44.22 C ATOM 1244 O SER A 80 -13.435 3.842 -20.008 1.00 13.23 O ATOM 1245 CB SER A 80 -15.311 6.192 -20.061 1.00 24.23 C ATOM 1246 OG SER A 80 -14.602 5.969 -21.267 1.00 63.42 O ATOM 0 H SER A 80 -15.647 5.867 -17.414 1.00 15.24 H new ATOM 0 HA SER A 80 -16.085 4.201 -19.824 1.00 54.42 H new ATOM 0 HB2 SER A 80 -16.297 6.600 -20.285 1.00 24.23 H new ATOM 0 HB3 SER A 80 -14.787 6.935 -19.460 1.00 24.23 H new ATOM 0 HG SER A 80 -13.948 5.252 -21.134 1.00 63.42 H new ATOM 1252 N GLU A 81 -13.671 4.171 -17.794 1.00 12.10 N ATOM 1253 CA GLU A 81 -12.381 3.580 -17.458 1.00 73.11 C ATOM 1254 C GLU A 81 -12.538 2.109 -17.082 1.00 12.32 C ATOM 1255 O GLU A 81 -12.010 1.224 -17.755 1.00 71.23 O ATOM 1256 CB GLU A 81 -11.729 4.346 -16.305 1.00 61.23 C ATOM 1257 CG GLU A 81 -11.008 5.609 -16.745 1.00 10.12 C ATOM 1258 CD GLU A 81 -9.962 5.343 -17.809 1.00 45.34 C ATOM 1259 OE1 GLU A 81 -8.995 4.608 -17.521 1.00 64.22 O ATOM 1260 OE2 GLU A 81 -10.110 5.871 -18.932 1.00 13.25 O ATOM 0 H GLU A 81 -14.203 4.506 -16.991 1.00 12.10 H new ATOM 0 HA GLU A 81 -11.740 3.646 -18.337 1.00 73.11 H new ATOM 0 HB2 GLU A 81 -12.495 4.610 -15.576 1.00 61.23 H new ATOM 0 HB3 GLU A 81 -11.020 3.690 -15.799 1.00 61.23 H new ATOM 0 HG2 GLU A 81 -11.736 6.324 -17.128 1.00 10.12 H new ATOM 0 HG3 GLU A 81 -10.532 6.071 -15.880 1.00 10.12 H new ATOM 1267 N THR A 82 -13.268 1.856 -16.000 1.00 31.01 N ATOM 1268 CA THR A 82 -13.494 0.494 -15.532 1.00 1.42 C ATOM 1269 C THR A 82 -13.932 -0.414 -16.675 1.00 33.34 C ATOM 1270 O THR A 82 -13.403 -1.513 -16.846 1.00 55.24 O ATOM 1271 CB THR A 82 -14.559 0.452 -14.420 1.00 21.12 C ATOM 1272 OG1 THR A 82 -15.257 1.701 -14.362 1.00 21.20 O ATOM 1273 CG2 THR A 82 -13.921 0.159 -13.070 1.00 62.23 C ATOM 0 H THR A 82 -13.713 2.577 -15.431 1.00 31.01 H new ATOM 0 HA THR A 82 -12.546 0.136 -15.130 1.00 1.42 H new ATOM 0 HB THR A 82 -15.263 -0.347 -14.653 1.00 21.12 H new ATOM 0 HG1 THR A 82 -15.933 1.665 -13.653 1.00 21.20 H new ATOM 0 HG21 THR A 82 -14.693 0.134 -12.301 1.00 62.23 H new ATOM 0 HG22 THR A 82 -13.416 -0.806 -13.108 1.00 62.23 H new ATOM 0 HG23 THR A 82 -13.197 0.939 -12.833 1.00 62.23 H new ATOM 1281 N LYS A 83 -14.902 0.051 -17.455 1.00 61.42 N ATOM 1282 CA LYS A 83 -15.411 -0.719 -18.584 1.00 51.12 C ATOM 1283 C LYS A 83 -14.267 -1.230 -19.455 1.00 13.44 C ATOM 1284 O LYS A 83 -14.237 -2.401 -19.835 1.00 11.41 O ATOM 1285 CB LYS A 83 -16.362 0.137 -19.424 1.00 11.02 C ATOM 1286 CG LYS A 83 -17.830 -0.144 -19.156 1.00 15.04 C ATOM 1287 CD LYS A 83 -18.727 0.870 -19.845 1.00 54.25 C ATOM 1288 CE LYS A 83 -19.084 0.430 -21.257 1.00 44.01 C ATOM 1289 NZ LYS A 83 -18.016 0.782 -22.234 1.00 20.21 N ATOM 0 H LYS A 83 -15.352 0.957 -17.326 1.00 61.42 H new ATOM 0 HA LYS A 83 -15.956 -1.577 -18.190 1.00 51.12 H new ATOM 0 HB2 LYS A 83 -16.160 1.190 -19.226 1.00 11.02 H new ATOM 0 HB3 LYS A 83 -16.155 -0.035 -20.480 1.00 11.02 H new ATOM 0 HG2 LYS A 83 -18.079 -1.147 -19.504 1.00 15.04 H new ATOM 0 HG3 LYS A 83 -18.015 -0.124 -18.082 1.00 15.04 H new ATOM 0 HD2 LYS A 83 -19.639 1.005 -19.263 1.00 54.25 H new ATOM 0 HD3 LYS A 83 -18.225 1.837 -19.880 1.00 54.25 H new ATOM 0 HE2 LYS A 83 -19.248 -0.647 -21.271 1.00 44.01 H new ATOM 0 HE3 LYS A 83 -20.021 0.899 -21.558 1.00 44.01 H new ATOM 0 HZ1 LYS A 83 -18.442 0.952 -23.168 1.00 20.21 H new ATOM 0 HZ2 LYS A 83 -17.524 1.642 -21.916 1.00 20.21 H new ATOM 0 HZ3 LYS A 83 -17.335 -0.001 -22.301 1.00 20.21 H new ATOM 1303 N THR A 84 -13.326 -0.344 -19.766 1.00 62.24 N ATOM 1304 CA THR A 84 -12.180 -0.705 -20.591 1.00 60.53 C ATOM 1305 C THR A 84 -11.427 -1.890 -19.998 1.00 24.25 C ATOM 1306 O THR A 84 -11.263 -2.924 -20.647 1.00 15.53 O ATOM 1307 CB THR A 84 -11.208 0.478 -20.752 1.00 4.43 C ATOM 1308 OG1 THR A 84 -11.918 1.639 -21.196 1.00 54.33 O ATOM 1309 CG2 THR A 84 -10.105 0.142 -21.744 1.00 5.12 C ATOM 0 H THR A 84 -13.335 0.629 -19.459 1.00 62.24 H new ATOM 0 HA THR A 84 -12.571 -0.980 -21.571 1.00 60.53 H new ATOM 0 HB THR A 84 -10.753 0.680 -19.782 1.00 4.43 H new ATOM 0 HG1 THR A 84 -12.302 2.103 -20.423 1.00 54.33 H new ATOM 0 HG21 THR A 84 -9.431 0.993 -21.841 1.00 5.12 H new ATOM 0 HG22 THR A 84 -9.547 -0.724 -21.388 1.00 5.12 H new ATOM 0 HG23 THR A 84 -10.545 -0.084 -22.715 1.00 5.12 H new ATOM 1317 N PHE A 85 -10.969 -1.734 -18.759 1.00 75.35 N ATOM 1318 CA PHE A 85 -10.233 -2.792 -18.078 1.00 24.12 C ATOM 1319 C PHE A 85 -11.014 -4.102 -18.102 1.00 73.33 C ATOM 1320 O PHE A 85 -10.455 -5.167 -18.367 1.00 20.55 O ATOM 1321 CB PHE A 85 -9.939 -2.388 -16.632 1.00 5.52 C ATOM 1322 CG PHE A 85 -8.956 -3.292 -15.944 1.00 74.21 C ATOM 1323 CD1 PHE A 85 -9.315 -4.582 -15.588 1.00 22.43 C ATOM 1324 CD2 PHE A 85 -7.675 -2.853 -15.655 1.00 3.15 C ATOM 1325 CE1 PHE A 85 -8.413 -5.417 -14.954 1.00 52.51 C ATOM 1326 CE2 PHE A 85 -6.769 -3.683 -15.021 1.00 45.34 C ATOM 1327 CZ PHE A 85 -7.138 -4.967 -14.672 1.00 12.42 C ATOM 0 H PHE A 85 -11.095 -0.885 -18.207 1.00 75.35 H new ATOM 0 HA PHE A 85 -9.291 -2.942 -18.606 1.00 24.12 H new ATOM 0 HB2 PHE A 85 -9.553 -1.369 -16.619 1.00 5.52 H new ATOM 0 HB3 PHE A 85 -10.872 -2.383 -16.068 1.00 5.52 H new ATOM 0 HD1 PHE A 85 -10.310 -4.939 -15.808 1.00 22.43 H new ATOM 0 HD2 PHE A 85 -7.380 -1.851 -15.928 1.00 3.15 H new ATOM 0 HE1 PHE A 85 -8.705 -6.420 -14.680 1.00 52.51 H new ATOM 0 HE2 PHE A 85 -5.774 -3.327 -14.799 1.00 45.34 H new ATOM 0 HZ PHE A 85 -6.431 -5.618 -14.179 1.00 12.42 H new ATOM 1337 N LEU A 86 -12.310 -4.016 -17.824 1.00 54.05 N ATOM 1338 CA LEU A 86 -13.171 -5.194 -17.814 1.00 23.13 C ATOM 1339 C LEU A 86 -13.244 -5.827 -19.199 1.00 71.54 C ATOM 1340 O LEU A 86 -13.477 -7.028 -19.332 1.00 71.52 O ATOM 1341 CB LEU A 86 -14.575 -4.820 -17.336 1.00 71.14 C ATOM 1342 CG LEU A 86 -15.520 -5.988 -17.051 1.00 52.21 C ATOM 1343 CD1 LEU A 86 -14.987 -6.840 -15.910 1.00 4.32 C ATOM 1344 CD2 LEU A 86 -16.917 -5.477 -16.730 1.00 12.01 C ATOM 0 H LEU A 86 -12.788 -3.143 -17.602 1.00 54.05 H new ATOM 0 HA LEU A 86 -12.742 -5.921 -17.125 1.00 23.13 H new ATOM 0 HB2 LEU A 86 -14.481 -4.225 -16.428 1.00 71.14 H new ATOM 0 HB3 LEU A 86 -15.036 -4.181 -18.090 1.00 71.14 H new ATOM 0 HG LEU A 86 -15.578 -6.610 -17.944 1.00 52.21 H new ATOM 0 HD11 LEU A 86 -15.673 -7.666 -15.722 1.00 4.32 H new ATOM 0 HD12 LEU A 86 -14.007 -7.236 -16.178 1.00 4.32 H new ATOM 0 HD13 LEU A 86 -14.898 -6.230 -15.011 1.00 4.32 H new ATOM 0 HD21 LEU A 86 -17.576 -6.322 -16.530 1.00 12.01 H new ATOM 0 HD22 LEU A 86 -16.876 -4.833 -15.852 1.00 12.01 H new ATOM 0 HD23 LEU A 86 -17.301 -4.910 -17.578 1.00 12.01 H new ATOM 1356 N ALA A 87 -13.041 -5.012 -20.229 1.00 15.43 N ATOM 1357 CA ALA A 87 -13.080 -5.493 -21.604 1.00 54.21 C ATOM 1358 C ALA A 87 -11.683 -5.848 -22.101 1.00 51.22 C ATOM 1359 O ALA A 87 -11.502 -6.217 -23.261 1.00 70.00 O ATOM 1360 CB ALA A 87 -13.716 -4.449 -22.511 1.00 22.04 C ATOM 0 H ALA A 87 -12.848 -4.015 -20.137 1.00 15.43 H new ATOM 0 HA ALA A 87 -13.687 -6.398 -21.629 1.00 54.21 H new ATOM 0 HB1 ALA A 87 -13.738 -4.822 -23.535 1.00 22.04 H new ATOM 0 HB2 ALA A 87 -14.733 -4.247 -22.176 1.00 22.04 H new ATOM 0 HB3 ALA A 87 -13.132 -3.529 -22.472 1.00 22.04 H new ATOM 1366 N ALA A 88 -10.698 -5.733 -21.216 1.00 53.33 N ATOM 1367 CA ALA A 88 -9.318 -6.043 -21.565 1.00 45.14 C ATOM 1368 C ALA A 88 -8.803 -7.233 -20.764 1.00 23.35 C ATOM 1369 O ALA A 88 -7.795 -7.844 -21.119 1.00 74.32 O ATOM 1370 CB ALA A 88 -8.430 -4.828 -21.339 1.00 11.12 C ATOM 0 H ALA A 88 -10.831 -5.427 -20.252 1.00 53.33 H new ATOM 0 HA ALA A 88 -9.288 -6.309 -22.622 1.00 45.14 H new ATOM 0 HB1 ALA A 88 -7.402 -5.074 -21.604 1.00 11.12 H new ATOM 0 HB2 ALA A 88 -8.777 -4.003 -21.961 1.00 11.12 H new ATOM 0 HB3 ALA A 88 -8.474 -4.535 -20.290 1.00 11.12 H new ATOM 1376 N ALA A 89 -9.500 -7.557 -19.680 1.00 12.15 N ATOM 1377 CA ALA A 89 -9.114 -8.675 -18.828 1.00 61.11 C ATOM 1378 C ALA A 89 -10.187 -9.758 -18.824 1.00 34.14 C ATOM 1379 O ALA A 89 -9.907 -10.924 -19.096 1.00 63.41 O ATOM 1380 CB ALA A 89 -8.844 -8.191 -17.411 1.00 41.12 C ATOM 0 H ALA A 89 -10.336 -7.061 -19.371 1.00 12.15 H new ATOM 0 HA ALA A 89 -8.199 -9.108 -19.232 1.00 61.11 H new ATOM 0 HB1 ALA A 89 -8.557 -9.037 -16.786 1.00 41.12 H new ATOM 0 HB2 ALA A 89 -8.037 -7.459 -17.424 1.00 41.12 H new ATOM 0 HB3 ALA A 89 -9.745 -7.730 -17.006 1.00 41.12 H new ATOM 1386 N ASP A 90 -11.418 -9.364 -18.511 1.00 43.05 N ATOM 1387 CA ASP A 90 -12.533 -10.302 -18.470 1.00 75.22 C ATOM 1388 C ASP A 90 -12.713 -10.994 -19.818 1.00 43.12 C ATOM 1389 O ASP A 90 -12.496 -12.200 -19.943 1.00 43.32 O ATOM 1390 CB ASP A 90 -13.823 -9.577 -18.081 1.00 51.52 C ATOM 1391 CG ASP A 90 -14.477 -10.180 -16.855 1.00 11.11 C ATOM 1392 OD1 ASP A 90 -14.038 -11.374 -16.475 1.00 63.01 O ATOM 1393 OD2 ASP A 90 -15.368 -9.579 -16.254 1.00 50.43 O ATOM 0 H ASP A 90 -11.668 -8.402 -18.282 1.00 43.05 H new ATOM 0 HA ASP A 90 -12.309 -11.060 -17.719 1.00 75.22 H new ATOM 0 HB2 ASP A 90 -13.603 -8.526 -17.892 1.00 51.52 H new ATOM 0 HB3 ASP A 90 -14.522 -9.612 -18.917 1.00 51.52 H new ATOM 1398 N HIS A 91 -13.110 -10.222 -20.825 1.00 63.21 N ATOM 1399 CA HIS A 91 -13.317 -10.760 -22.165 1.00 31.11 C ATOM 1400 C HIS A 91 -14.285 -11.939 -22.133 1.00 52.13 C ATOM 1401 O HIS A 91 -14.382 -12.701 -23.095 1.00 61.31 O ATOM 1402 CB HIS A 91 -11.984 -11.196 -22.774 1.00 73.02 C ATOM 1403 CG HIS A 91 -11.996 -11.239 -24.271 1.00 44.23 C ATOM 1404 ND1 HIS A 91 -10.851 -11.366 -25.029 1.00 63.13 N ATOM 1405 CD2 HIS A 91 -13.022 -11.172 -25.151 1.00 70.12 C ATOM 1406 CE1 HIS A 91 -11.172 -11.374 -26.311 1.00 33.04 C ATOM 1407 NE2 HIS A 91 -12.484 -11.258 -26.412 1.00 31.23 N ATOM 0 H HIS A 91 -13.295 -9.223 -20.738 1.00 63.21 H new ATOM 0 HA HIS A 91 -13.750 -9.973 -22.783 1.00 31.11 H new ATOM 0 HB2 HIS A 91 -11.202 -10.512 -22.444 1.00 73.02 H new ATOM 0 HB3 HIS A 91 -11.725 -12.184 -22.392 1.00 73.02 H new ATOM 0 HD2 HIS A 91 -14.069 -11.070 -24.907 1.00 70.12 H new ATOM 0 HE1 HIS A 91 -10.480 -11.461 -27.135 1.00 33.04 H new ATOM 0 HE2 HIS A 91 -13.012 -11.236 -27.285 1.00 31.23 H new ATOM 1415 N ASP A 92 -14.999 -12.082 -21.022 1.00 61.20 N ATOM 1416 CA ASP A 92 -15.960 -13.168 -20.865 1.00 42.12 C ATOM 1417 C ASP A 92 -17.340 -12.625 -20.508 1.00 2.22 C ATOM 1418 O ASP A 92 -18.347 -13.316 -20.653 1.00 21.55 O ATOM 1419 CB ASP A 92 -15.487 -14.144 -19.787 1.00 12.04 C ATOM 1420 CG ASP A 92 -15.026 -13.437 -18.528 1.00 2.54 C ATOM 1421 OD1 ASP A 92 -15.489 -12.303 -18.281 1.00 23.52 O ATOM 1422 OD2 ASP A 92 -14.201 -14.016 -17.789 1.00 52.45 O ATOM 0 H ASP A 92 -14.931 -11.460 -20.217 1.00 61.20 H new ATOM 0 HA ASP A 92 -16.033 -13.697 -21.816 1.00 42.12 H new ATOM 0 HB2 ASP A 92 -16.298 -14.828 -19.539 1.00 12.04 H new ATOM 0 HB3 ASP A 92 -14.670 -14.748 -20.181 1.00 12.04 H new ATOM 1427 N GLY A 93 -17.378 -11.381 -20.039 1.00 22.11 N ATOM 1428 CA GLY A 93 -18.639 -10.767 -19.667 1.00 2.21 C ATOM 1429 C GLY A 93 -19.170 -11.287 -18.346 1.00 70.51 C ATOM 1430 O GLY A 93 -20.359 -11.582 -18.220 1.00 63.53 O ATOM 0 H GLY A 93 -16.558 -10.788 -19.910 1.00 22.11 H new ATOM 0 HA2 GLY A 93 -18.508 -9.687 -19.603 1.00 2.21 H new ATOM 0 HA3 GLY A 93 -19.375 -10.953 -20.449 1.00 2.21 H new ATOM 1434 N ASP A 94 -18.288 -11.402 -17.360 1.00 21.44 N ATOM 1435 CA ASP A 94 -18.674 -11.892 -16.041 1.00 74.04 C ATOM 1436 C ASP A 94 -18.839 -10.736 -15.059 1.00 62.42 C ATOM 1437 O ASP A 94 -19.617 -10.821 -14.110 1.00 25.22 O ATOM 1438 CB ASP A 94 -17.633 -12.881 -15.515 1.00 43.43 C ATOM 1439 CG ASP A 94 -17.198 -13.880 -16.570 1.00 14.34 C ATOM 1440 OD1 ASP A 94 -17.917 -14.025 -17.580 1.00 72.51 O ATOM 1441 OD2 ASP A 94 -16.140 -14.517 -16.384 1.00 11.42 O ATOM 0 H ASP A 94 -17.300 -11.163 -17.448 1.00 21.44 H new ATOM 0 HA ASP A 94 -19.632 -12.403 -16.137 1.00 74.04 H new ATOM 0 HB2 ASP A 94 -16.762 -12.332 -15.158 1.00 43.43 H new ATOM 0 HB3 ASP A 94 -18.045 -13.417 -14.659 1.00 43.43 H new ATOM 1446 N GLY A 95 -18.099 -9.657 -15.294 1.00 54.54 N ATOM 1447 CA GLY A 95 -18.177 -8.500 -14.421 1.00 40.13 C ATOM 1448 C GLY A 95 -17.216 -8.590 -13.252 1.00 72.44 C ATOM 1449 O GLY A 95 -17.289 -7.795 -12.315 1.00 53.05 O ATOM 0 H GLY A 95 -17.447 -9.563 -16.073 1.00 54.54 H new ATOM 0 HA2 GLY A 95 -17.961 -7.600 -14.996 1.00 40.13 H new ATOM 0 HA3 GLY A 95 -19.195 -8.401 -14.044 1.00 40.13 H new ATOM 1453 N LYS A 96 -16.313 -9.563 -13.305 1.00 20.50 N ATOM 1454 CA LYS A 96 -15.333 -9.757 -12.243 1.00 11.33 C ATOM 1455 C LYS A 96 -14.029 -10.318 -12.801 1.00 32.13 C ATOM 1456 O LYS A 96 -14.031 -11.318 -13.519 1.00 64.04 O ATOM 1457 CB LYS A 96 -15.890 -10.699 -11.173 1.00 4.44 C ATOM 1458 CG LYS A 96 -16.296 -12.059 -11.712 1.00 21.34 C ATOM 1459 CD LYS A 96 -17.795 -12.281 -11.594 1.00 45.11 C ATOM 1460 CE LYS A 96 -18.142 -13.094 -10.356 1.00 54.34 C ATOM 1461 NZ LYS A 96 -19.261 -12.482 -9.587 1.00 53.14 N ATOM 0 H LYS A 96 -16.239 -10.230 -14.073 1.00 20.50 H new ATOM 0 HA LYS A 96 -15.126 -8.786 -11.792 1.00 11.33 H new ATOM 0 HB2 LYS A 96 -15.139 -10.835 -10.395 1.00 4.44 H new ATOM 0 HB3 LYS A 96 -16.755 -10.231 -10.703 1.00 4.44 H new ATOM 0 HG2 LYS A 96 -15.996 -12.142 -12.757 1.00 21.34 H new ATOM 0 HG3 LYS A 96 -15.767 -12.840 -11.166 1.00 21.34 H new ATOM 0 HD2 LYS A 96 -18.304 -11.318 -11.553 1.00 45.11 H new ATOM 0 HD3 LYS A 96 -18.159 -12.796 -12.483 1.00 45.11 H new ATOM 0 HE2 LYS A 96 -18.416 -14.107 -10.651 1.00 54.34 H new ATOM 0 HE3 LYS A 96 -17.263 -13.175 -9.716 1.00 54.34 H new ATOM 0 HZ1 LYS A 96 -19.468 -13.065 -8.751 1.00 53.14 H new ATOM 0 HZ2 LYS A 96 -18.991 -11.525 -9.283 1.00 53.14 H new ATOM 0 HZ3 LYS A 96 -20.107 -12.428 -10.189 1.00 53.14 H new ATOM 1475 N ILE A 97 -12.919 -9.670 -12.464 1.00 53.34 N ATOM 1476 CA ILE A 97 -11.609 -10.107 -12.930 1.00 51.52 C ATOM 1477 C ILE A 97 -11.055 -11.220 -12.048 1.00 31.11 C ATOM 1478 O ILE A 97 -11.296 -11.249 -10.842 1.00 2.42 O ATOM 1479 CB ILE A 97 -10.604 -8.940 -12.957 1.00 64.23 C ATOM 1480 CG1 ILE A 97 -11.127 -7.807 -13.843 1.00 20.52 C ATOM 1481 CG2 ILE A 97 -9.247 -9.422 -13.450 1.00 52.33 C ATOM 1482 CD1 ILE A 97 -11.287 -8.200 -15.295 1.00 25.11 C ATOM 0 H ILE A 97 -12.901 -8.841 -11.870 1.00 53.34 H new ATOM 0 HA ILE A 97 -11.744 -10.484 -13.944 1.00 51.52 H new ATOM 0 HB ILE A 97 -10.486 -8.558 -11.943 1.00 64.23 H new ATOM 0 HG12 ILE A 97 -12.090 -7.470 -13.458 1.00 20.52 H new ATOM 0 HG13 ILE A 97 -10.444 -6.960 -13.777 1.00 20.52 H new ATOM 0 HG21 ILE A 97 -8.547 -8.586 -13.464 1.00 52.33 H new ATOM 0 HG22 ILE A 97 -8.872 -10.198 -12.783 1.00 52.33 H new ATOM 0 HG23 ILE A 97 -9.349 -9.827 -14.457 1.00 52.33 H new ATOM 0 HD11 ILE A 97 -11.661 -7.348 -15.863 1.00 25.11 H new ATOM 0 HD12 ILE A 97 -10.322 -8.509 -15.697 1.00 25.11 H new ATOM 0 HD13 ILE A 97 -11.993 -9.027 -15.373 1.00 25.11 H new ATOM 1494 N GLY A 98 -10.309 -12.136 -12.658 1.00 75.25 N ATOM 1495 CA GLY A 98 -9.731 -13.239 -11.913 1.00 40.21 C ATOM 1496 C GLY A 98 -8.237 -13.369 -12.136 1.00 13.32 C ATOM 1497 O GLY A 98 -7.657 -12.640 -12.940 1.00 72.22 O ATOM 0 H GLY A 98 -10.095 -12.134 -13.655 1.00 75.25 H new ATOM 0 HA2 GLY A 98 -9.926 -13.097 -10.850 1.00 40.21 H new ATOM 0 HA3 GLY A 98 -10.221 -14.168 -12.206 1.00 40.21 H new ATOM 1501 N ALA A 99 -7.612 -14.298 -11.420 1.00 75.11 N ATOM 1502 CA ALA A 99 -6.177 -14.521 -11.544 1.00 13.12 C ATOM 1503 C ALA A 99 -5.857 -15.365 -12.773 1.00 22.14 C ATOM 1504 O ALA A 99 -4.699 -15.697 -13.024 1.00 3.45 O ATOM 1505 CB ALA A 99 -5.637 -15.187 -10.287 1.00 64.55 C ATOM 0 H ALA A 99 -8.077 -14.908 -10.748 1.00 75.11 H new ATOM 0 HA ALA A 99 -5.692 -13.552 -11.666 1.00 13.12 H new ATOM 0 HB1 ALA A 99 -4.564 -15.348 -10.393 1.00 64.55 H new ATOM 0 HB2 ALA A 99 -5.825 -14.545 -9.426 1.00 64.55 H new ATOM 0 HB3 ALA A 99 -6.135 -16.145 -10.141 1.00 64.55 H new ATOM 1511 N GLU A 100 -6.890 -15.710 -13.534 1.00 54.22 N ATOM 1512 CA GLU A 100 -6.717 -16.517 -14.736 1.00 72.01 C ATOM 1513 C GLU A 100 -6.941 -15.679 -15.992 1.00 1.25 C ATOM 1514 O GLU A 100 -6.677 -16.129 -17.106 1.00 23.34 O ATOM 1515 CB GLU A 100 -7.682 -17.704 -14.724 1.00 35.25 C ATOM 1516 CG GLU A 100 -7.255 -18.846 -15.630 1.00 24.22 C ATOM 1517 CD GLU A 100 -6.095 -19.640 -15.060 1.00 35.42 C ATOM 1518 OE1 GLU A 100 -6.114 -19.930 -13.845 1.00 41.43 O ATOM 1519 OE2 GLU A 100 -5.170 -19.973 -15.829 1.00 43.04 O ATOM 0 H GLU A 100 -7.855 -15.444 -13.340 1.00 54.22 H new ATOM 0 HA GLU A 100 -5.693 -16.890 -14.747 1.00 72.01 H new ATOM 0 HB2 GLU A 100 -7.774 -18.076 -13.704 1.00 35.25 H new ATOM 0 HB3 GLU A 100 -8.671 -17.360 -15.028 1.00 35.25 H new ATOM 0 HG2 GLU A 100 -8.102 -19.513 -15.792 1.00 24.22 H new ATOM 0 HG3 GLU A 100 -6.973 -18.446 -16.604 1.00 24.22 H new ATOM 1526 N GLU A 101 -7.430 -14.457 -15.801 1.00 72.41 N ATOM 1527 CA GLU A 101 -7.691 -13.557 -16.918 1.00 42.00 C ATOM 1528 C GLU A 101 -7.084 -12.181 -16.661 1.00 3.24 C ATOM 1529 O GLU A 101 -7.344 -11.228 -17.395 1.00 51.22 O ATOM 1530 CB GLU A 101 -9.197 -13.426 -17.156 1.00 3.25 C ATOM 1531 CG GLU A 101 -9.930 -12.711 -16.033 1.00 41.53 C ATOM 1532 CD GLU A 101 -11.307 -13.289 -15.774 1.00 72.43 C ATOM 1533 OE1 GLU A 101 -12.023 -13.579 -16.756 1.00 64.03 O ATOM 1534 OE2 GLU A 101 -11.670 -13.453 -14.591 1.00 1.43 O ATOM 0 H GLU A 101 -7.653 -14.069 -14.885 1.00 72.41 H new ATOM 0 HA GLU A 101 -7.226 -13.980 -17.808 1.00 42.00 H new ATOM 0 HB2 GLU A 101 -9.364 -12.887 -18.089 1.00 3.25 H new ATOM 0 HB3 GLU A 101 -9.624 -14.421 -17.282 1.00 3.25 H new ATOM 0 HG2 GLU A 101 -9.337 -12.772 -15.120 1.00 41.53 H new ATOM 0 HG3 GLU A 101 -10.025 -11.654 -16.281 1.00 41.53 H new ATOM 1541 N PHE A 102 -6.273 -12.085 -15.612 1.00 33.03 N ATOM 1542 CA PHE A 102 -5.630 -10.826 -15.255 1.00 42.13 C ATOM 1543 C PHE A 102 -4.259 -10.710 -15.915 1.00 2.01 C ATOM 1544 O PHE A 102 -4.025 -9.819 -16.731 1.00 12.22 O ATOM 1545 CB PHE A 102 -5.489 -10.713 -13.736 1.00 25.11 C ATOM 1546 CG PHE A 102 -4.825 -9.442 -13.288 1.00 71.13 C ATOM 1547 CD1 PHE A 102 -3.444 -9.351 -13.224 1.00 30.31 C ATOM 1548 CD2 PHE A 102 -5.583 -8.338 -12.931 1.00 64.15 C ATOM 1549 CE1 PHE A 102 -2.830 -8.183 -12.813 1.00 33.02 C ATOM 1550 CE2 PHE A 102 -4.975 -7.167 -12.520 1.00 64.21 C ATOM 1551 CZ PHE A 102 -3.597 -7.090 -12.459 1.00 42.15 C ATOM 0 H PHE A 102 -6.046 -12.864 -14.994 1.00 33.03 H new ATOM 0 HA PHE A 102 -6.258 -10.011 -15.615 1.00 42.13 H new ATOM 0 HB2 PHE A 102 -6.478 -10.777 -13.282 1.00 25.11 H new ATOM 0 HB3 PHE A 102 -4.914 -11.563 -13.368 1.00 25.11 H new ATOM 0 HD1 PHE A 102 -2.840 -10.203 -13.499 1.00 30.31 H new ATOM 0 HD2 PHE A 102 -6.661 -8.393 -12.974 1.00 64.15 H new ATOM 0 HE1 PHE A 102 -1.752 -8.125 -12.769 1.00 33.02 H new ATOM 0 HE2 PHE A 102 -5.577 -6.313 -12.247 1.00 64.21 H new ATOM 0 HZ PHE A 102 -3.120 -6.177 -12.135 1.00 42.15 H new ATOM 1561 N GLN A 103 -3.357 -11.617 -15.554 1.00 63.03 N ATOM 1562 CA GLN A 103 -2.009 -11.616 -16.110 1.00 4.21 C ATOM 1563 C GLN A 103 -2.048 -11.581 -17.634 1.00 70.01 C ATOM 1564 O GLN A 103 -1.230 -10.917 -18.270 1.00 13.10 O ATOM 1565 CB GLN A 103 -1.238 -12.849 -15.636 1.00 22.11 C ATOM 1566 CG GLN A 103 -1.942 -14.161 -15.942 1.00 64.31 C ATOM 1567 CD GLN A 103 -1.909 -15.128 -14.774 1.00 45.44 C ATOM 1568 OE1 GLN A 103 -1.553 -16.296 -14.930 1.00 45.05 O ATOM 1569 NE2 GLN A 103 -2.280 -14.644 -13.595 1.00 34.11 N ATOM 0 H GLN A 103 -3.535 -12.361 -14.880 1.00 63.03 H new ATOM 0 HA GLN A 103 -1.499 -10.719 -15.758 1.00 4.21 H new ATOM 0 HB2 GLN A 103 -0.255 -12.855 -16.106 1.00 22.11 H new ATOM 0 HB3 GLN A 103 -1.076 -12.775 -14.561 1.00 22.11 H new ATOM 0 HG2 GLN A 103 -2.978 -13.958 -16.212 1.00 64.31 H new ATOM 0 HG3 GLN A 103 -1.473 -14.627 -16.808 1.00 64.31 H new ATOM 0 HE21 GLN A 103 -2.568 -13.669 -13.512 1.00 34.11 H new ATOM 0 HE22 GLN A 103 -2.277 -15.247 -12.772 1.00 34.11 H new ATOM 1578 N GLU A 104 -3.004 -12.301 -18.213 1.00 61.11 N ATOM 1579 CA GLU A 104 -3.148 -12.353 -19.663 1.00 50.33 C ATOM 1580 C GLU A 104 -3.325 -10.952 -20.243 1.00 32.14 C ATOM 1581 O GLU A 104 -2.900 -10.674 -21.363 1.00 62.44 O ATOM 1582 CB GLU A 104 -4.341 -13.231 -20.049 1.00 4.55 C ATOM 1583 CG GLU A 104 -5.687 -12.587 -19.763 1.00 72.15 C ATOM 1584 CD GLU A 104 -6.848 -13.401 -20.301 1.00 72.02 C ATOM 1585 OE1 GLU A 104 -6.802 -14.644 -20.194 1.00 62.24 O ATOM 1586 OE2 GLU A 104 -7.804 -12.794 -20.829 1.00 4.32 O ATOM 0 H GLU A 104 -3.690 -12.856 -17.701 1.00 61.11 H new ATOM 0 HA GLU A 104 -2.238 -12.787 -20.077 1.00 50.33 H new ATOM 0 HB2 GLU A 104 -4.279 -13.467 -21.111 1.00 4.55 H new ATOM 0 HB3 GLU A 104 -4.277 -14.175 -19.508 1.00 4.55 H new ATOM 0 HG2 GLU A 104 -5.804 -12.461 -18.687 1.00 72.15 H new ATOM 0 HG3 GLU A 104 -5.711 -11.591 -20.205 1.00 72.15 H new ATOM 1593 N MET A 105 -3.957 -10.074 -19.470 1.00 61.32 N ATOM 1594 CA MET A 105 -4.190 -8.702 -19.906 1.00 31.30 C ATOM 1595 C MET A 105 -2.957 -7.838 -19.664 1.00 2.10 C ATOM 1596 O MET A 105 -2.868 -6.713 -20.157 1.00 72.30 O ATOM 1597 CB MET A 105 -5.395 -8.109 -19.173 1.00 22.44 C ATOM 1598 CG MET A 105 -5.032 -7.418 -17.868 1.00 73.41 C ATOM 1599 SD MET A 105 -4.985 -5.623 -18.023 1.00 13.40 S ATOM 1600 CE MET A 105 -6.719 -5.260 -18.290 1.00 60.41 C ATOM 0 H MET A 105 -4.316 -10.288 -18.540 1.00 61.32 H new ATOM 0 HA MET A 105 -4.397 -8.717 -20.976 1.00 31.30 H new ATOM 0 HB2 MET A 105 -5.892 -7.393 -19.828 1.00 22.44 H new ATOM 0 HB3 MET A 105 -6.112 -8.904 -18.967 1.00 22.44 H new ATOM 0 HG2 MET A 105 -5.756 -7.694 -17.102 1.00 73.41 H new ATOM 0 HG3 MET A 105 -4.059 -7.775 -17.530 1.00 73.41 H new ATOM 0 HE1 MET A 105 -6.841 -4.196 -18.493 1.00 60.41 H new ATOM 0 HE2 MET A 105 -7.085 -5.836 -19.140 1.00 60.41 H new ATOM 0 HE3 MET A 105 -7.288 -5.527 -17.399 1.00 60.41 H new ATOM 1610 N VAL A 106 -2.007 -8.370 -18.902 1.00 21.15 N ATOM 1611 CA VAL A 106 -0.778 -7.647 -18.595 1.00 33.31 C ATOM 1612 C VAL A 106 0.284 -7.893 -19.660 1.00 63.21 C ATOM 1613 O VAL A 106 0.530 -7.041 -20.513 1.00 51.13 O ATOM 1614 CB VAL A 106 -0.216 -8.055 -17.220 1.00 45.13 C ATOM 1615 CG1 VAL A 106 0.912 -7.122 -16.807 1.00 3.21 C ATOM 1616 CG2 VAL A 106 -1.320 -8.065 -16.175 1.00 33.54 C ATOM 0 H VAL A 106 -2.065 -9.299 -18.486 1.00 21.15 H new ATOM 0 HA VAL A 106 -1.030 -6.587 -18.576 1.00 33.31 H new ATOM 0 HB VAL A 106 0.189 -9.064 -17.297 1.00 45.13 H new ATOM 0 HG11 VAL A 106 1.297 -7.425 -15.833 1.00 3.21 H new ATOM 0 HG12 VAL A 106 1.713 -7.170 -17.545 1.00 3.21 H new ATOM 0 HG13 VAL A 106 0.536 -6.101 -16.746 1.00 3.21 H new ATOM 0 HG21 VAL A 106 -0.905 -8.355 -15.210 1.00 33.54 H new ATOM 0 HG22 VAL A 106 -1.757 -7.069 -16.097 1.00 33.54 H new ATOM 0 HG23 VAL A 106 -2.091 -8.778 -16.467 1.00 33.54 H new ATOM 1626 N GLN A 107 0.911 -9.064 -19.604 1.00 11.01 N ATOM 1627 CA GLN A 107 1.948 -9.422 -20.565 1.00 11.35 C ATOM 1628 C GLN A 107 1.377 -9.502 -21.977 1.00 24.54 C ATOM 1629 O GLN A 107 2.049 -9.158 -22.949 1.00 23.02 O ATOM 1630 CB GLN A 107 2.587 -10.758 -20.183 1.00 2.12 C ATOM 1631 CG GLN A 107 3.319 -10.724 -18.851 1.00 11.32 C ATOM 1632 CD GLN A 107 2.951 -11.888 -17.953 1.00 32.14 C ATOM 1633 OE1 GLN A 107 3.815 -12.649 -17.518 1.00 25.33 O ATOM 1634 NE2 GLN A 107 1.662 -12.033 -17.669 1.00 75.14 N ATOM 0 H GLN A 107 0.719 -9.780 -18.904 1.00 11.01 H new ATOM 0 HA GLN A 107 2.711 -8.644 -20.545 1.00 11.35 H new ATOM 0 HB2 GLN A 107 1.812 -11.523 -20.143 1.00 2.12 H new ATOM 0 HB3 GLN A 107 3.286 -11.053 -20.965 1.00 2.12 H new ATOM 0 HG2 GLN A 107 4.394 -10.735 -19.031 1.00 11.32 H new ATOM 0 HG3 GLN A 107 3.091 -9.789 -18.339 1.00 11.32 H new ATOM 0 HE21 GLN A 107 0.979 -11.379 -18.051 1.00 75.14 H new ATOM 0 HE22 GLN A 107 1.355 -12.798 -17.069 1.00 75.14 H new ATOM 1643 N SER A 108 0.134 -9.960 -22.082 1.00 30.21 N ATOM 1644 CA SER A 108 -0.526 -10.090 -23.376 1.00 23.31 C ATOM 1645 C SER A 108 -1.762 -9.200 -23.447 1.00 54.32 C ATOM 1646 O SER A 108 -2.486 -9.204 -24.442 1.00 21.23 O ATOM 1647 CB SER A 108 -0.917 -11.548 -23.628 1.00 54.41 C ATOM 1648 OG SER A 108 -1.244 -11.759 -24.991 1.00 20.33 O ATOM 0 H SER A 108 -0.437 -10.247 -21.287 1.00 30.21 H new ATOM 0 HA SER A 108 0.174 -9.771 -24.148 1.00 23.31 H new ATOM 0 HB2 SER A 108 -0.094 -12.203 -23.342 1.00 54.41 H new ATOM 0 HB3 SER A 108 -1.768 -11.813 -23.001 1.00 54.41 H new ATOM 0 HG SER A 108 -1.746 -10.989 -25.330 1.00 20.33 H new TER 1654 SER A 108 HETATM 1655 CA CA A 109 -14.099 -9.420 -4.871 1.00 25.52 CA HETATM 1656 CA CA A 110 -14.151 -13.291 -15.395 1.00 71.12 CA