USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 535 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 Single : A 1 GLY N :NH3+ -149:sc= 0.027 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -91:sc= 0.0512 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 106:sc= 1.24 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 22 CYS SG : rot -159:sc= 0.649 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -7:sc= 0.359 USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.3 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 32 THR OG1 : rot -170:sc= -0.699 USER MOD Single : A 33 THR OG1 : rot 148:sc= -0.433 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.41) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.14 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0229 (180deg=-0.203) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.31) USER MOD Single : A 69 HIS : no HD1:sc= -2.08! K(o=-2.1!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.819 -17.599 6.347 1.00 0.00 N ATOM 2 CA GLY A 1 16.169 -17.102 6.061 1.00 0.00 C ATOM 3 C GLY A 1 16.271 -15.644 6.468 1.00 0.00 C ATOM 4 O GLY A 1 15.766 -15.286 7.534 1.00 0.00 O ATOM 0 H1 GLY A 1 14.864 -18.612 6.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.420 -17.076 7.153 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.214 -17.462 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.908 -17.694 6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.390 -17.210 4.999 1.00 0.00 H new ATOM 8 N PRO A 2 16.881 -14.770 5.652 1.00 0.00 N ATOM 9 CA PRO A 2 17.005 -13.355 5.979 1.00 0.00 C ATOM 10 C PRO A 2 15.641 -12.661 5.928 1.00 0.00 C ATOM 11 O PRO A 2 14.679 -13.216 5.388 1.00 0.00 O ATOM 12 CB PRO A 2 17.989 -12.784 4.955 1.00 0.00 C ATOM 13 CG PRO A 2 17.807 -13.698 3.745 1.00 0.00 C ATOM 14 CD PRO A 2 17.507 -15.059 4.373 1.00 0.00 C ATOM 0 HA PRO A 2 17.370 -13.197 6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.761 -11.746 4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.014 -12.807 5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.991 -13.361 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.704 -13.730 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.845 -15.647 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 2 18.420 -15.639 4.506 1.00 0.00 H new ATOM 22 N LEU A 3 15.527 -11.472 6.520 1.00 0.00 N ATOM 23 CA LEU A 3 14.281 -10.703 6.532 1.00 0.00 C ATOM 24 C LEU A 3 14.088 -9.939 5.222 1.00 0.00 C ATOM 25 O LEU A 3 12.953 -9.834 4.758 1.00 0.00 O ATOM 26 CB LEU A 3 14.256 -9.720 7.718 1.00 0.00 C ATOM 27 CG LEU A 3 13.860 -10.386 9.051 1.00 0.00 C ATOM 28 CD1 LEU A 3 14.175 -9.460 10.228 1.00 0.00 C ATOM 29 CD2 LEU A 3 12.365 -10.740 9.099 1.00 0.00 C ATOM 0 H LEU A 3 16.298 -11.013 7.006 1.00 0.00 H new ATOM 0 HA LEU A 3 13.461 -11.412 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.241 -9.265 7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.555 -8.915 7.499 1.00 0.00 H new ATOM 0 HG LEU A 3 14.441 -11.305 9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.889 -9.947 11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.243 -9.243 10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.618 -8.530 10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.132 -11.207 10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.772 -9.832 8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.129 -11.432 8.291 1.00 0.00 H new ATOM 41 N GLY A 4 15.173 -9.501 4.581 1.00 0.00 N ATOM 42 CA GLY A 4 15.128 -8.741 3.344 1.00 0.00 C ATOM 43 C GLY A 4 14.759 -7.324 3.750 1.00 0.00 C ATOM 44 O GLY A 4 15.581 -6.648 4.368 1.00 0.00 O ATOM 0 H GLY A 4 16.121 -9.671 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.091 -8.765 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.392 -9.156 2.655 1.00 0.00 H new ATOM 48 N SER A 5 13.540 -6.886 3.437 1.00 0.00 N ATOM 49 CA SER A 5 13.004 -5.569 3.782 1.00 0.00 C ATOM 50 C SER A 5 13.763 -4.350 3.225 1.00 0.00 C ATOM 51 O SER A 5 13.328 -3.228 3.483 1.00 0.00 O ATOM 52 CB SER A 5 12.885 -5.476 5.320 1.00 0.00 C ATOM 53 OG SER A 5 12.306 -6.641 5.895 1.00 0.00 O ATOM 0 H SER A 5 12.875 -7.459 2.918 1.00 0.00 H new ATOM 0 HA SER A 5 12.034 -5.509 3.289 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.875 -5.317 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.281 -4.607 5.582 1.00 0.00 H new ATOM 0 HG SER A 5 12.254 -6.534 6.868 1.00 0.00 H new ATOM 59 N THR A 6 14.854 -4.522 2.479 1.00 0.00 N ATOM 60 CA THR A 6 15.642 -3.426 1.926 1.00 0.00 C ATOM 61 C THR A 6 15.016 -2.790 0.683 1.00 0.00 C ATOM 62 O THR A 6 15.363 -1.655 0.332 1.00 0.00 O ATOM 63 CB THR A 6 17.047 -3.953 1.590 1.00 0.00 C ATOM 64 OG1 THR A 6 17.005 -5.213 0.935 1.00 0.00 O ATOM 65 CG2 THR A 6 17.896 -4.107 2.851 1.00 0.00 C ATOM 0 H THR A 6 15.219 -5.444 2.239 1.00 0.00 H new ATOM 0 HA THR A 6 15.683 -2.641 2.681 1.00 0.00 H new ATOM 0 HB THR A 6 17.491 -3.214 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.049 -5.930 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.884 -4.481 2.581 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.996 -3.139 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 6 17.414 -4.811 3.530 1.00 0.00 H new ATOM 73 N ASP A 7 14.139 -3.504 -0.018 1.00 0.00 N ATOM 74 CA ASP A 7 13.494 -3.001 -1.221 1.00 0.00 C ATOM 75 C ASP A 7 12.440 -1.943 -0.889 1.00 0.00 C ATOM 76 O ASP A 7 12.054 -1.741 0.269 1.00 0.00 O ATOM 77 CB ASP A 7 12.924 -4.158 -2.046 1.00 0.00 C ATOM 78 CG ASP A 7 11.640 -4.746 -1.470 1.00 0.00 C ATOM 79 OD1 ASP A 7 10.619 -4.728 -2.202 1.00 0.00 O ATOM 80 OD2 ASP A 7 11.684 -5.292 -0.348 1.00 0.00 O ATOM 0 H ASP A 7 13.857 -4.451 0.236 1.00 0.00 H new ATOM 0 HA ASP A 7 14.245 -2.503 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.730 -3.809 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.674 -4.946 -2.118 1.00 0.00 H new ATOM 85 N CYS A 8 11.983 -1.239 -1.920 1.00 0.00 N ATOM 86 CA CYS A 8 10.995 -0.181 -1.820 1.00 0.00 C ATOM 87 C CYS A 8 9.665 -0.693 -2.359 1.00 0.00 C ATOM 88 O CYS A 8 9.303 -0.424 -3.503 1.00 0.00 O ATOM 89 CB CYS A 8 11.518 1.055 -2.554 1.00 0.00 C ATOM 90 SG CYS A 8 12.987 1.711 -1.705 1.00 0.00 S ATOM 0 H CYS A 8 12.303 -1.397 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 8 10.823 0.114 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.768 0.798 -3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.741 1.819 -2.596 1.00 0.00 H new ATOM 0 HG CYS A 8 13.423 2.759 -2.339 1.00 0.00 H new ATOM 96 N SER A 9 8.959 -1.486 -1.556 1.00 0.00 N ATOM 97 CA SER A 9 7.661 -2.049 -1.899 1.00 0.00 C ATOM 98 C SER A 9 6.779 -2.036 -0.653 1.00 0.00 C ATOM 99 O SER A 9 7.237 -1.685 0.442 1.00 0.00 O ATOM 100 CB SER A 9 7.792 -3.455 -2.474 1.00 0.00 C ATOM 101 OG SER A 9 8.746 -3.519 -3.517 1.00 0.00 O ATOM 0 H SER A 9 9.283 -1.759 -0.628 1.00 0.00 H new ATOM 0 HA SER A 9 7.200 -1.441 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.077 -4.145 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.823 -3.784 -2.849 1.00 0.00 H new ATOM 0 HG SER A 9 9.557 -3.962 -3.192 1.00 0.00 H new ATOM 107 N ILE A 10 5.512 -2.437 -0.804 1.00 0.00 N ATOM 108 CA ILE A 10 4.546 -2.449 0.289 1.00 0.00 C ATOM 109 C ILE A 10 5.033 -3.241 1.490 1.00 0.00 C ATOM 110 O ILE A 10 4.575 -2.945 2.584 1.00 0.00 O ATOM 111 CB ILE A 10 3.129 -2.823 -0.198 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.663 -1.839 -1.271 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.087 -2.906 0.912 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.430 -0.403 -0.809 1.00 0.00 C ATOM 0 H ILE A 10 5.131 -2.763 -1.692 1.00 0.00 H new ATOM 0 HA ILE A 10 4.458 -1.428 0.659 1.00 0.00 H new ATOM 0 HB ILE A 10 3.214 -3.828 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.404 -1.826 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.735 -2.215 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.121 -3.173 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.386 -3.664 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.008 -1.940 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.103 0.203 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.663 -0.390 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.358 0.005 -0.408 1.00 0.00 H new ATOM 126 N VAL A 11 5.974 -4.173 1.346 1.00 0.00 N ATOM 127 CA VAL A 11 6.473 -4.896 2.515 1.00 0.00 C ATOM 128 C VAL A 11 6.989 -3.911 3.573 1.00 0.00 C ATOM 129 O VAL A 11 6.725 -4.070 4.764 1.00 0.00 O ATOM 130 CB VAL A 11 7.595 -5.875 2.150 1.00 0.00 C ATOM 131 CG1 VAL A 11 7.000 -7.131 1.517 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.703 -5.324 1.238 1.00 0.00 C ATOM 0 H VAL A 11 6.397 -4.440 0.457 1.00 0.00 H new ATOM 0 HA VAL A 11 5.637 -5.469 2.916 1.00 0.00 H new ATOM 0 HB VAL A 11 8.088 -6.090 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.802 -7.823 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.321 -7.608 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.452 -6.859 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.440 -6.105 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.268 -4.998 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.188 -4.478 1.725 1.00 0.00 H new ATOM 142 N SER A 12 7.740 -2.896 3.143 1.00 0.00 N ATOM 143 CA SER A 12 8.296 -1.891 4.021 1.00 0.00 C ATOM 144 C SER A 12 7.183 -1.030 4.592 1.00 0.00 C ATOM 145 O SER A 12 7.195 -0.725 5.784 1.00 0.00 O ATOM 146 CB SER A 12 9.291 -1.032 3.229 1.00 0.00 C ATOM 147 OG SER A 12 9.975 -0.144 4.091 1.00 0.00 O ATOM 0 H SER A 12 7.976 -2.756 2.161 1.00 0.00 H new ATOM 0 HA SER A 12 8.817 -2.370 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.007 -1.674 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.762 -0.467 2.461 1.00 0.00 H new ATOM 0 HG SER A 12 10.607 0.395 3.571 1.00 0.00 H new ATOM 153 N PHE A 13 6.224 -0.641 3.752 1.00 0.00 N ATOM 154 CA PHE A 13 5.144 0.219 4.184 1.00 0.00 C ATOM 155 C PHE A 13 4.237 -0.485 5.186 1.00 0.00 C ATOM 156 O PHE A 13 3.998 0.028 6.273 1.00 0.00 O ATOM 157 CB PHE A 13 4.399 0.732 2.949 1.00 0.00 C ATOM 158 CG PHE A 13 3.240 1.664 3.235 1.00 0.00 C ATOM 159 CD1 PHE A 13 2.164 1.704 2.331 1.00 0.00 C ATOM 160 CD2 PHE A 13 3.212 2.483 4.384 1.00 0.00 C ATOM 161 CE1 PHE A 13 1.051 2.511 2.596 1.00 0.00 C ATOM 162 CE2 PHE A 13 2.093 3.285 4.647 1.00 0.00 C ATOM 163 CZ PHE A 13 1.004 3.271 3.768 1.00 0.00 C ATOM 0 H PHE A 13 6.181 -0.913 2.770 1.00 0.00 H new ATOM 0 HA PHE A 13 5.544 1.080 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.110 1.249 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.025 -0.125 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.196 1.110 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.053 2.492 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.230 2.546 1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.071 3.912 5.526 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.122 3.851 3.997 1.00 0.00 H new ATOM 173 N PHE A 14 3.732 -1.667 4.845 1.00 0.00 N ATOM 174 CA PHE A 14 2.855 -2.432 5.709 1.00 0.00 C ATOM 175 C PHE A 14 3.536 -2.743 7.027 1.00 0.00 C ATOM 176 O PHE A 14 2.884 -2.637 8.068 1.00 0.00 O ATOM 177 CB PHE A 14 2.337 -3.684 4.995 1.00 0.00 C ATOM 178 CG PHE A 14 1.117 -3.471 4.115 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.425 -4.595 3.639 1.00 0.00 C ATOM 180 CD2 PHE A 14 0.683 -2.186 3.730 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.650 -4.454 2.748 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.401 -2.045 2.850 1.00 0.00 C ATOM 183 CZ PHE A 14 -1.055 -3.174 2.332 1.00 0.00 C ATOM 0 H PHE A 14 3.925 -2.120 3.952 1.00 0.00 H new ATOM 0 HA PHE A 14 1.979 -1.827 5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.141 -4.091 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.096 -4.437 5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.723 -5.581 3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.185 -1.310 4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.166 -5.329 2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.736 -1.058 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.861 -3.060 1.622 1.00 0.00 H new ATOM 193 N ALA A 15 4.825 -3.078 6.989 1.00 0.00 N ATOM 194 CA ALA A 15 5.573 -3.349 8.202 1.00 0.00 C ATOM 195 C ALA A 15 5.544 -2.093 9.087 1.00 0.00 C ATOM 196 O ALA A 15 5.250 -2.199 10.276 1.00 0.00 O ATOM 197 CB ALA A 15 6.992 -3.762 7.840 1.00 0.00 C ATOM 0 H ALA A 15 5.367 -3.166 6.129 1.00 0.00 H new ATOM 0 HA ALA A 15 5.126 -4.171 8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.555 -3.966 8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.963 -4.660 7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.476 -2.957 7.287 1.00 0.00 H new ATOM 203 N ARG A 16 5.797 -0.899 8.522 1.00 0.00 N ATOM 204 CA ARG A 16 5.764 0.352 9.287 1.00 0.00 C ATOM 205 C ARG A 16 4.364 0.622 9.830 1.00 0.00 C ATOM 206 O ARG A 16 4.250 1.137 10.941 1.00 0.00 O ATOM 207 CB ARG A 16 6.234 1.561 8.460 1.00 0.00 C ATOM 208 CG ARG A 16 7.740 1.550 8.162 1.00 0.00 C ATOM 209 CD ARG A 16 8.355 2.951 8.097 1.00 0.00 C ATOM 210 NE ARG A 16 8.409 3.573 9.428 1.00 0.00 N ATOM 211 CZ ARG A 16 9.251 4.528 9.829 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.138 5.053 8.991 1.00 0.00 N ATOM 213 NH2 ARG A 16 9.185 4.949 11.085 1.00 0.00 N ATOM 0 H ARG A 16 6.027 -0.778 7.536 1.00 0.00 H new ATOM 0 HA ARG A 16 6.459 0.222 10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.685 1.583 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.984 2.477 8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.251 0.972 8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.912 1.041 7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.361 2.890 7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.769 3.577 7.424 1.00 0.00 H new ATOM 0 HE ARG A 16 7.733 3.240 10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.183 4.727 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.774 5.782 9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.500 4.544 11.723 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.819 5.678 11.413 1.00 0.00 H new ATOM 227 N LEU A 17 3.302 0.298 9.084 1.00 0.00 N ATOM 228 CA LEU A 17 1.924 0.505 9.549 1.00 0.00 C ATOM 229 C LEU A 17 1.629 -0.405 10.738 1.00 0.00 C ATOM 230 O LEU A 17 0.817 -0.048 11.596 1.00 0.00 O ATOM 231 CB LEU A 17 0.867 0.172 8.477 1.00 0.00 C ATOM 232 CG LEU A 17 0.819 1.103 7.264 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.282 0.645 6.298 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.559 2.561 7.664 1.00 0.00 C ATOM 0 H LEU A 17 3.370 -0.110 8.152 1.00 0.00 H new ATOM 0 HA LEU A 17 1.858 1.562 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.046 -0.843 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.115 0.176 8.951 1.00 0.00 H new ATOM 0 HG LEU A 17 1.795 1.053 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.311 1.312 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.073 -0.371 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.245 0.668 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.533 3.184 6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.397 2.631 8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.356 2.905 8.324 1.00 0.00 H new ATOM 246 N GLY A 18 2.259 -1.575 10.787 1.00 0.00 N ATOM 247 CA GLY A 18 2.108 -2.582 11.817 1.00 0.00 C ATOM 248 C GLY A 18 1.267 -3.745 11.299 1.00 0.00 C ATOM 249 O GLY A 18 0.697 -4.487 12.097 1.00 0.00 O ATOM 0 H GLY A 18 2.924 -1.855 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.088 -2.943 12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.635 -2.145 12.696 1.00 0.00 H new ATOM 253 N CYS A 19 1.085 -3.856 9.979 1.00 0.00 N ATOM 254 CA CYS A 19 0.305 -4.937 9.404 1.00 0.00 C ATOM 255 C CYS A 19 1.113 -6.243 9.419 1.00 0.00 C ATOM 256 O CYS A 19 2.338 -6.209 9.283 1.00 0.00 O ATOM 257 CB CYS A 19 -0.042 -4.590 7.956 1.00 0.00 C ATOM 258 SG CYS A 19 -1.021 -3.068 7.844 1.00 0.00 S ATOM 0 H CYS A 19 1.471 -3.205 9.295 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.603 -5.069 9.992 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.876 -4.475 7.380 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.598 -5.414 7.508 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.288 -2.815 6.597 1.00 0.00 H new ATOM 264 N SER A 20 0.420 -7.385 9.473 1.00 0.00 N ATOM 265 CA SER A 20 1.029 -8.712 9.474 1.00 0.00 C ATOM 266 C SER A 20 0.465 -9.525 8.303 1.00 0.00 C ATOM 267 O SER A 20 0.917 -9.313 7.175 1.00 0.00 O ATOM 268 CB SER A 20 0.900 -9.370 10.854 1.00 0.00 C ATOM 269 OG SER A 20 1.375 -10.695 10.782 1.00 0.00 O ATOM 0 H SER A 20 -0.599 -7.410 9.518 1.00 0.00 H new ATOM 0 HA SER A 20 2.104 -8.650 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.469 -8.807 11.593 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.141 -9.361 11.178 1.00 0.00 H new ATOM 0 HG SER A 20 1.296 -11.119 11.662 1.00 0.00 H new ATOM 275 N SER A 21 -0.590 -10.322 8.501 1.00 0.00 N ATOM 276 CA SER A 21 -1.223 -11.180 7.496 1.00 0.00 C ATOM 277 C SER A 21 -1.608 -10.450 6.201 1.00 0.00 C ATOM 278 O SER A 21 -1.663 -11.051 5.133 1.00 0.00 O ATOM 279 CB SER A 21 -2.451 -11.849 8.130 1.00 0.00 C ATOM 280 OG SER A 21 -2.201 -12.223 9.482 1.00 0.00 O ATOM 0 H SER A 21 -1.047 -10.389 9.410 1.00 0.00 H new ATOM 0 HA SER A 21 -0.487 -11.924 7.192 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.300 -11.166 8.091 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.725 -12.731 7.552 1.00 0.00 H new ATOM 0 HG SER A 21 -3.002 -12.644 9.858 1.00 0.00 H new ATOM 286 N CYS A 22 -1.835 -9.141 6.260 1.00 0.00 N ATOM 287 CA CYS A 22 -2.194 -8.348 5.099 1.00 0.00 C ATOM 288 C CYS A 22 -1.046 -8.342 4.091 1.00 0.00 C ATOM 289 O CYS A 22 -1.289 -8.398 2.882 1.00 0.00 O ATOM 290 CB CYS A 22 -2.527 -6.925 5.551 1.00 0.00 C ATOM 291 SG CYS A 22 -3.685 -7.018 6.945 1.00 0.00 S ATOM 0 H CYS A 22 -1.773 -8.601 7.123 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.067 -8.781 4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.619 -6.400 5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.968 -6.360 4.730 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.310 -5.884 7.067 1.00 0.00 H new ATOM 297 N LEU A 23 0.192 -8.182 4.584 1.00 0.00 N ATOM 298 CA LEU A 23 1.366 -8.176 3.734 1.00 0.00 C ATOM 299 C LEU A 23 1.551 -9.584 3.205 1.00 0.00 C ATOM 300 O LEU A 23 1.952 -9.709 2.060 1.00 0.00 O ATOM 301 CB LEU A 23 2.605 -7.584 4.440 1.00 0.00 C ATOM 302 CG LEU A 23 3.495 -8.545 5.254 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.562 -9.244 4.407 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.190 -7.752 6.364 1.00 0.00 C ATOM 0 H LEU A 23 0.394 -8.055 5.576 1.00 0.00 H new ATOM 0 HA LEU A 23 1.226 -7.505 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.229 -7.111 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.264 -6.795 5.110 1.00 0.00 H new ATOM 0 HG LEU A 23 2.845 -9.321 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.153 -9.905 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.079 -9.828 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.214 -8.497 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.823 -8.421 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.803 -6.967 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.440 -7.303 7.015 1.00 0.00 H new ATOM 316 N ASP A 24 1.214 -10.607 4.000 1.00 0.00 N ATOM 317 CA ASP A 24 1.322 -12.013 3.627 1.00 0.00 C ATOM 318 C ASP A 24 0.456 -12.265 2.395 1.00 0.00 C ATOM 319 O ASP A 24 0.901 -12.901 1.443 1.00 0.00 O ATOM 320 CB ASP A 24 0.909 -12.912 4.804 1.00 0.00 C ATOM 321 CG ASP A 24 1.394 -14.350 4.654 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.558 -14.541 4.233 1.00 0.00 O ATOM 323 OD2 ASP A 24 0.648 -15.282 5.042 1.00 0.00 O ATOM 0 H ASP A 24 0.850 -10.471 4.943 1.00 0.00 H new ATOM 0 HA ASP A 24 2.356 -12.256 3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.306 -12.495 5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.177 -12.908 4.893 1.00 0.00 H new ATOM 328 N TYR A 25 -0.770 -11.730 2.373 1.00 0.00 N ATOM 329 CA TYR A 25 -1.660 -11.885 1.227 1.00 0.00 C ATOM 330 C TYR A 25 -1.022 -11.171 0.035 1.00 0.00 C ATOM 331 O TYR A 25 -0.949 -11.730 -1.057 1.00 0.00 O ATOM 332 CB TYR A 25 -3.044 -11.281 1.501 1.00 0.00 C ATOM 333 CG TYR A 25 -3.809 -11.823 2.693 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.656 -10.960 3.416 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.711 -13.178 3.063 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.401 -11.440 4.502 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.440 -13.662 4.160 1.00 0.00 C ATOM 338 CZ TYR A 25 -5.290 -12.794 4.884 1.00 0.00 C ATOM 339 OH TYR A 25 -6.007 -13.248 5.946 1.00 0.00 O ATOM 0 H TYR A 25 -1.165 -11.186 3.140 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.798 -12.947 1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.924 -10.206 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.658 -11.424 0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.732 -9.921 3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.074 -13.846 2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.058 -10.776 5.044 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.352 -14.698 4.452 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.823 -14.201 6.082 1.00 0.00 H new ATOM 349 N PHE A 26 -0.545 -9.937 0.236 1.00 0.00 N ATOM 350 CA PHE A 26 0.089 -9.155 -0.819 1.00 0.00 C ATOM 351 C PHE A 26 1.316 -9.857 -1.420 1.00 0.00 C ATOM 352 O PHE A 26 1.475 -9.837 -2.644 1.00 0.00 O ATOM 353 CB PHE A 26 0.458 -7.773 -0.274 1.00 0.00 C ATOM 354 CG PHE A 26 -0.504 -6.685 -0.684 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.250 -5.906 -1.822 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.664 -6.455 0.068 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.128 -4.878 -2.193 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.553 -5.433 -0.297 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.284 -4.652 -1.432 1.00 0.00 C ATOM 0 H PHE A 26 -0.590 -9.458 1.135 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.627 -9.048 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.498 -7.820 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.458 -7.511 -0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.630 -6.100 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.874 -7.067 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.916 -4.266 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.439 -5.248 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.972 -3.872 -1.721 1.00 0.00 H new ATOM 369 N THR A 27 2.183 -10.448 -0.594 1.00 0.00 N ATOM 370 CA THR A 27 3.372 -11.144 -1.066 1.00 0.00 C ATOM 371 C THR A 27 2.931 -12.392 -1.831 1.00 0.00 C ATOM 372 O THR A 27 3.411 -12.619 -2.944 1.00 0.00 O ATOM 373 CB THR A 27 4.368 -11.464 0.072 1.00 0.00 C ATOM 374 OG1 THR A 27 3.791 -12.232 1.102 1.00 0.00 O ATOM 375 CG2 THR A 27 4.967 -10.203 0.707 1.00 0.00 C ATOM 0 H THR A 27 2.076 -10.455 0.420 1.00 0.00 H new ATOM 0 HA THR A 27 3.925 -10.489 -1.739 1.00 0.00 H new ATOM 0 HB THR A 27 5.156 -12.039 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.827 -12.315 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.659 -10.488 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.501 -9.632 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.168 -9.592 1.126 1.00 0.00 H new ATOM 383 N THR A 28 1.964 -13.147 -1.299 1.00 0.00 N ATOM 384 CA THR A 28 1.458 -14.350 -1.948 1.00 0.00 C ATOM 385 C THR A 28 0.870 -13.988 -3.322 1.00 0.00 C ATOM 386 O THR A 28 1.137 -14.681 -4.307 1.00 0.00 O ATOM 387 CB THR A 28 0.457 -15.091 -1.035 1.00 0.00 C ATOM 388 OG1 THR A 28 0.948 -15.215 0.292 1.00 0.00 O ATOM 389 CG2 THR A 28 0.220 -16.518 -1.529 1.00 0.00 C ATOM 0 H THR A 28 1.514 -12.938 -0.408 1.00 0.00 H new ATOM 0 HA THR A 28 2.278 -15.047 -2.120 1.00 0.00 H new ATOM 0 HB THR A 28 -0.459 -14.500 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.701 -14.419 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.489 -17.019 -0.869 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.184 -16.490 -2.541 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.163 -17.064 -1.530 1.00 0.00 H new ATOM 397 N GLN A 29 0.122 -12.888 -3.436 1.00 0.00 N ATOM 398 CA GLN A 29 -0.473 -12.460 -4.696 1.00 0.00 C ATOM 399 C GLN A 29 0.595 -11.926 -5.660 1.00 0.00 C ATOM 400 O GLN A 29 0.391 -11.956 -6.873 1.00 0.00 O ATOM 401 CB GLN A 29 -1.515 -11.375 -4.416 1.00 0.00 C ATOM 402 CG GLN A 29 -2.794 -11.878 -3.730 1.00 0.00 C ATOM 403 CD GLN A 29 -3.727 -12.590 -4.714 1.00 0.00 C ATOM 404 OE1 GLN A 29 -4.104 -12.027 -5.738 1.00 0.00 O ATOM 405 NE2 GLN A 29 -4.103 -13.830 -4.459 1.00 0.00 N ATOM 0 H GLN A 29 -0.086 -12.270 -2.652 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.949 -13.319 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.061 -10.607 -3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.787 -10.899 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.529 -12.560 -2.923 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.318 -11.036 -3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.787 -14.294 -3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.709 -14.324 -5.114 1.00 0.00 H new ATOM 414 N GLY A 30 1.730 -11.452 -5.146 1.00 0.00 N ATOM 415 CA GLY A 30 2.833 -10.920 -5.936 1.00 0.00 C ATOM 416 C GLY A 30 2.494 -9.573 -6.571 1.00 0.00 C ATOM 417 O GLY A 30 2.935 -9.274 -7.681 1.00 0.00 O ATOM 0 H GLY A 30 1.909 -11.428 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.712 -10.809 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.094 -11.633 -6.718 1.00 0.00 H new ATOM 421 N LEU A 31 1.719 -8.744 -5.864 1.00 0.00 N ATOM 422 CA LEU A 31 1.270 -7.422 -6.316 1.00 0.00 C ATOM 423 C LEU A 31 1.588 -6.318 -5.305 1.00 0.00 C ATOM 424 O LEU A 31 0.882 -5.311 -5.239 1.00 0.00 O ATOM 425 CB LEU A 31 -0.218 -7.472 -6.719 1.00 0.00 C ATOM 426 CG LEU A 31 -1.146 -8.215 -5.745 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.284 -7.562 -4.372 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.530 -8.429 -6.344 1.00 0.00 C ATOM 0 H LEU A 31 1.376 -8.981 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 31 1.838 -7.155 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.580 -6.450 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.295 -7.945 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.654 -9.175 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.957 -8.155 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.305 -7.508 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.688 -6.556 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.159 -8.957 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.978 -7.463 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.444 -9.020 -7.256 1.00 0.00 H new ATOM 440 N THR A 32 2.619 -6.492 -4.482 1.00 0.00 N ATOM 441 CA THR A 32 2.985 -5.478 -3.498 1.00 0.00 C ATOM 442 C THR A 32 3.878 -4.435 -4.178 1.00 0.00 C ATOM 443 O THR A 32 5.027 -4.725 -4.530 1.00 0.00 O ATOM 444 CB THR A 32 3.679 -6.246 -2.334 1.00 0.00 C ATOM 445 OG1 THR A 32 4.522 -5.484 -1.499 1.00 0.00 O ATOM 446 CG2 THR A 32 4.476 -7.513 -2.702 1.00 0.00 C ATOM 0 H THR A 32 3.213 -7.321 -4.477 1.00 0.00 H new ATOM 0 HA THR A 32 2.137 -4.925 -3.094 1.00 0.00 H new ATOM 0 HB THR A 32 2.773 -6.532 -1.801 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.025 -6.083 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.906 -7.947 -1.799 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.811 -8.237 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.276 -7.251 -3.395 1.00 0.00 H new ATOM 454 N THR A 33 3.401 -3.185 -4.265 1.00 0.00 N ATOM 455 CA THR A 33 4.165 -2.099 -4.855 1.00 0.00 C ATOM 456 C THR A 33 3.682 -0.721 -4.367 1.00 0.00 C ATOM 457 O THR A 33 2.487 -0.553 -4.106 1.00 0.00 O ATOM 458 CB THR A 33 4.083 -2.258 -6.387 1.00 0.00 C ATOM 459 OG1 THR A 33 4.201 -0.998 -7.015 1.00 0.00 O ATOM 460 CG2 THR A 33 2.845 -3.021 -6.936 1.00 0.00 C ATOM 0 H THR A 33 2.479 -2.909 -3.928 1.00 0.00 H new ATOM 0 HA THR A 33 5.207 -2.151 -4.540 1.00 0.00 H new ATOM 0 HB THR A 33 4.926 -2.902 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.647 -1.105 -7.881 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.899 -3.068 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.831 -4.032 -6.529 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.935 -2.499 -6.641 1.00 0.00 H new ATOM 468 N ILE A 34 4.586 0.264 -4.264 1.00 0.00 N ATOM 469 CA ILE A 34 4.262 1.637 -3.847 1.00 0.00 C ATOM 470 C ILE A 34 3.656 2.460 -4.994 1.00 0.00 C ATOM 471 O ILE A 34 2.582 3.043 -4.867 1.00 0.00 O ATOM 472 CB ILE A 34 5.436 2.433 -3.208 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.592 1.644 -2.560 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.848 3.416 -2.172 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.315 1.099 -1.150 1.00 0.00 C ATOM 0 H ILE A 34 5.576 0.128 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 34 3.523 1.492 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 34 5.918 2.916 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.846 0.807 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.469 2.290 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.655 3.985 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.160 4.100 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.313 2.858 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.192 0.562 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.094 1.927 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.462 0.421 -1.183 1.00 0.00 H new ATOM 487 N TYR A 35 4.366 2.512 -6.127 1.00 0.00 N ATOM 488 CA TYR A 35 3.992 3.282 -7.313 1.00 0.00 C ATOM 489 C TYR A 35 2.665 2.863 -7.914 1.00 0.00 C ATOM 490 O TYR A 35 2.081 3.592 -8.712 1.00 0.00 O ATOM 491 CB TYR A 35 5.106 3.237 -8.355 1.00 0.00 C ATOM 492 CG TYR A 35 6.371 3.876 -7.835 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.401 3.073 -7.322 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.480 5.279 -7.782 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.521 3.670 -6.729 1.00 0.00 C ATOM 496 CE2 TYR A 35 7.628 5.879 -7.237 1.00 0.00 C ATOM 497 CZ TYR A 35 8.652 5.073 -6.692 1.00 0.00 C ATOM 498 OH TYR A 35 9.758 5.624 -6.122 1.00 0.00 O ATOM 0 H TYR A 35 5.242 2.003 -6.245 1.00 0.00 H new ATOM 0 HA TYR A 35 3.856 4.311 -6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.306 2.202 -8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.782 3.752 -9.259 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.330 1.997 -7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.679 5.896 -8.161 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.292 3.049 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.727 6.954 -7.235 1.00 0.00 H new ATOM 0 HH TYR A 35 9.701 6.601 -6.175 1.00 0.00 H new ATOM 508 N GLN A 36 2.197 1.677 -7.553 1.00 0.00 N ATOM 509 CA GLN A 36 0.926 1.208 -8.047 1.00 0.00 C ATOM 510 C GLN A 36 -0.190 1.852 -7.228 1.00 0.00 C ATOM 511 O GLN A 36 -1.109 2.428 -7.802 1.00 0.00 O ATOM 512 CB GLN A 36 0.890 -0.316 -7.991 1.00 0.00 C ATOM 513 CG GLN A 36 1.669 -1.013 -9.119 1.00 0.00 C ATOM 514 CD GLN A 36 1.560 -0.358 -10.481 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.503 -0.328 -11.103 1.00 0.00 O ATOM 516 NE2 GLN A 36 2.661 0.185 -10.972 1.00 0.00 N ATOM 0 H GLN A 36 2.678 1.033 -6.926 1.00 0.00 H new ATOM 0 HA GLN A 36 0.782 1.495 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.294 -0.642 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.149 -0.644 -8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.721 -1.057 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.317 -2.042 -9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.529 0.149 -10.438 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.642 0.640 -11.885 1.00 0.00 H new ATOM 525 N ILE A 37 -0.123 1.808 -5.893 1.00 0.00 N ATOM 526 CA ILE A 37 -1.173 2.397 -5.064 1.00 0.00 C ATOM 527 C ILE A 37 -1.319 3.906 -5.225 1.00 0.00 C ATOM 528 O ILE A 37 -2.420 4.402 -4.981 1.00 0.00 O ATOM 529 CB ILE A 37 -1.103 1.946 -3.601 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.268 2.249 -2.977 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.477 0.457 -3.526 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.266 2.007 -1.477 1.00 0.00 C ATOM 0 H ILE A 37 0.639 1.375 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.104 1.989 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.820 2.513 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.028 1.624 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.539 3.285 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.431 0.122 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.488 0.316 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.777 -0.125 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.252 2.232 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.476 2.651 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.020 0.964 -1.277 1.00 0.00 H new ATOM 544 N GLU A 38 -0.295 4.657 -5.644 1.00 0.00 N ATOM 545 CA GLU A 38 -0.488 6.101 -5.826 1.00 0.00 C ATOM 546 C GLU A 38 -1.502 6.342 -6.963 1.00 0.00 C ATOM 547 O GLU A 38 -2.114 7.411 -7.014 1.00 0.00 O ATOM 548 CB GLU A 38 0.827 6.866 -6.046 1.00 0.00 C ATOM 549 CG GLU A 38 1.654 6.342 -7.222 1.00 0.00 C ATOM 550 CD GLU A 38 2.818 7.253 -7.638 1.00 0.00 C ATOM 551 OE1 GLU A 38 3.355 8.033 -6.814 1.00 0.00 O ATOM 552 OE2 GLU A 38 3.203 7.193 -8.828 1.00 0.00 O ATOM 0 H GLU A 38 0.640 4.309 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.892 6.505 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.601 7.919 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.427 6.809 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.052 5.361 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.995 6.201 -8.079 1.00 0.00 H new ATOM 559 N HIS A 39 -1.734 5.349 -7.836 1.00 0.00 N ATOM 560 CA HIS A 39 -2.676 5.434 -8.942 1.00 0.00 C ATOM 561 C HIS A 39 -3.859 4.460 -8.764 1.00 0.00 C ATOM 562 O HIS A 39 -4.938 4.747 -9.292 1.00 0.00 O ATOM 563 CB HIS A 39 -1.900 5.157 -10.237 1.00 0.00 C ATOM 564 CG HIS A 39 -2.554 5.706 -11.478 1.00 0.00 C ATOM 565 ND1 HIS A 39 -2.136 6.816 -12.177 1.00 0.00 N ATOM 566 CD2 HIS A 39 -3.639 5.185 -12.128 1.00 0.00 C ATOM 567 CE1 HIS A 39 -2.958 6.964 -13.228 1.00 0.00 C ATOM 568 NE2 HIS A 39 -3.900 6.002 -13.235 1.00 0.00 N ATOM 0 H HIS A 39 -1.257 4.449 -7.784 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.118 6.430 -8.978 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.901 5.584 -10.147 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.777 4.080 -10.351 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.193 4.304 -11.840 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.875 7.747 -13.967 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.654 5.890 -13.912 1.00 0.00 H new ATOM 576 N TYR A 40 -3.728 3.380 -7.982 1.00 0.00 N ATOM 577 CA TYR A 40 -4.804 2.423 -7.741 1.00 0.00 C ATOM 578 C TYR A 40 -5.765 3.071 -6.748 1.00 0.00 C ATOM 579 O TYR A 40 -5.468 3.221 -5.564 1.00 0.00 O ATOM 580 CB TYR A 40 -4.320 1.029 -7.267 1.00 0.00 C ATOM 581 CG TYR A 40 -3.813 0.081 -8.348 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.662 -0.727 -8.170 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.560 -0.048 -9.537 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.261 -1.594 -9.206 1.00 0.00 C ATOM 585 CE2 TYR A 40 -4.159 -0.914 -10.563 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.987 -1.676 -10.411 1.00 0.00 C ATOM 587 OH TYR A 40 -2.554 -2.480 -11.416 1.00 0.00 O ATOM 0 H TYR A 40 -2.861 3.148 -7.496 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.305 2.208 -8.685 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.522 1.174 -6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.143 0.542 -6.744 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.098 -0.679 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.462 0.534 -9.660 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.381 -2.207 -9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.747 -0.996 -11.465 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.172 -2.418 -12.174 1.00 0.00 H new ATOM 597 N SER A 41 -6.895 3.525 -7.275 1.00 0.00 N ATOM 598 CA SER A 41 -7.976 4.177 -6.568 1.00 0.00 C ATOM 599 C SER A 41 -8.787 3.154 -5.772 1.00 0.00 C ATOM 600 O SER A 41 -8.689 1.948 -6.000 1.00 0.00 O ATOM 601 CB SER A 41 -8.821 4.921 -7.625 1.00 0.00 C ATOM 602 OG SER A 41 -8.881 4.190 -8.848 1.00 0.00 O ATOM 0 H SER A 41 -7.088 3.439 -8.273 1.00 0.00 H new ATOM 0 HA SER A 41 -7.605 4.893 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.830 5.078 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.393 5.906 -7.808 1.00 0.00 H new ATOM 0 HG SER A 41 -9.424 4.684 -9.498 1.00 0.00 H new ATOM 608 N MET A 42 -9.638 3.644 -4.868 1.00 0.00 N ATOM 609 CA MET A 42 -10.489 2.849 -3.982 1.00 0.00 C ATOM 610 C MET A 42 -11.312 1.757 -4.683 1.00 0.00 C ATOM 611 O MET A 42 -11.641 0.747 -4.059 1.00 0.00 O ATOM 612 CB MET A 42 -11.341 3.810 -3.137 1.00 0.00 C ATOM 613 CG MET A 42 -12.537 4.426 -3.862 1.00 0.00 C ATOM 614 SD MET A 42 -14.036 3.421 -3.730 1.00 0.00 S ATOM 615 CE MET A 42 -15.054 4.245 -4.969 1.00 0.00 C ATOM 0 H MET A 42 -9.757 4.647 -4.728 1.00 0.00 H new ATOM 0 HA MET A 42 -9.841 2.265 -3.329 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.704 3.273 -2.261 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.701 4.615 -2.775 1.00 0.00 H new ATOM 0 HG2 MET A 42 -12.733 5.417 -3.452 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.287 4.560 -4.915 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.026 3.755 -5.026 1.00 0.00 H new ATOM 0 HE2 MET A 42 -15.190 5.290 -4.691 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.562 4.189 -5.940 1.00 0.00 H new ATOM 625 N ASP A 43 -11.638 1.936 -5.963 1.00 0.00 N ATOM 626 CA ASP A 43 -12.403 0.979 -6.756 1.00 0.00 C ATOM 627 C ASP A 43 -11.532 -0.210 -7.146 1.00 0.00 C ATOM 628 O ASP A 43 -11.930 -1.363 -6.984 1.00 0.00 O ATOM 629 CB ASP A 43 -12.903 1.679 -8.015 1.00 0.00 C ATOM 630 CG ASP A 43 -13.993 0.874 -8.708 1.00 0.00 C ATOM 631 OD1 ASP A 43 -13.704 0.080 -9.628 1.00 0.00 O ATOM 632 OD2 ASP A 43 -15.178 1.063 -8.336 1.00 0.00 O ATOM 0 H ASP A 43 -11.371 2.769 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.243 0.612 -6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -13.288 2.665 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.071 1.832 -8.702 1.00 0.00 H new ATOM 637 N ASP A 44 -10.330 0.084 -7.644 1.00 0.00 N ATOM 638 CA ASP A 44 -9.330 -0.884 -8.079 1.00 0.00 C ATOM 639 C ASP A 44 -8.900 -1.704 -6.865 1.00 0.00 C ATOM 640 O ASP A 44 -8.914 -2.941 -6.893 1.00 0.00 O ATOM 641 CB ASP A 44 -8.137 -0.144 -8.710 1.00 0.00 C ATOM 642 CG ASP A 44 -7.688 -0.802 -10.011 1.00 0.00 C ATOM 643 OD1 ASP A 44 -7.853 -0.159 -11.074 1.00 0.00 O ATOM 644 OD2 ASP A 44 -7.188 -1.945 -9.974 1.00 0.00 O ATOM 0 H ASP A 44 -10.016 1.048 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.740 -1.555 -8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.413 0.893 -8.903 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.306 -0.127 -8.005 1.00 0.00 H new ATOM 649 N LEU A 45 -8.576 -0.994 -5.775 1.00 0.00 N ATOM 650 CA LEU A 45 -8.158 -1.564 -4.501 1.00 0.00 C ATOM 651 C LEU A 45 -9.251 -2.527 -4.036 1.00 0.00 C ATOM 652 O LEU A 45 -8.959 -3.669 -3.701 1.00 0.00 O ATOM 653 CB LEU A 45 -7.900 -0.458 -3.451 1.00 0.00 C ATOM 654 CG LEU A 45 -6.768 0.531 -3.785 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.780 1.716 -2.811 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.379 -0.099 -3.757 1.00 0.00 C ATOM 0 H LEU A 45 -8.601 0.026 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.217 -2.101 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.822 0.107 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.671 -0.934 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.964 0.862 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.973 2.403 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.735 2.236 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.641 1.352 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.632 0.656 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.180 -0.497 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.331 -0.907 -4.487 1.00 0.00 H new ATOM 668 N ALA A 46 -10.518 -2.099 -4.033 1.00 0.00 N ATOM 669 CA ALA A 46 -11.617 -2.959 -3.612 1.00 0.00 C ATOM 670 C ALA A 46 -11.751 -4.177 -4.528 1.00 0.00 C ATOM 671 O ALA A 46 -12.015 -5.277 -4.034 1.00 0.00 O ATOM 672 CB ALA A 46 -12.918 -2.167 -3.583 1.00 0.00 C ATOM 0 H ALA A 46 -10.803 -1.162 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.400 -3.322 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.733 -2.818 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.824 -1.338 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.129 -1.778 -4.579 1.00 0.00 H new ATOM 678 N SER A 47 -11.566 -4.007 -5.843 1.00 0.00 N ATOM 679 CA SER A 47 -11.663 -5.109 -6.794 1.00 0.00 C ATOM 680 C SER A 47 -10.572 -6.151 -6.518 1.00 0.00 C ATOM 681 O SER A 47 -10.800 -7.335 -6.768 1.00 0.00 O ATOM 682 CB SER A 47 -11.642 -4.594 -8.238 1.00 0.00 C ATOM 683 OG SER A 47 -12.508 -5.373 -9.037 1.00 0.00 O ATOM 0 H SER A 47 -11.347 -3.107 -6.270 1.00 0.00 H new ATOM 0 HA SER A 47 -12.623 -5.608 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.949 -3.549 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.628 -4.639 -8.635 1.00 0.00 H new ATOM 0 HG SER A 47 -12.492 -5.039 -9.958 1.00 0.00 H new ATOM 689 N LEU A 48 -9.423 -5.753 -5.950 1.00 0.00 N ATOM 690 CA LEU A 48 -8.320 -6.658 -5.593 1.00 0.00 C ATOM 691 C LEU A 48 -8.635 -7.437 -4.298 1.00 0.00 C ATOM 692 O LEU A 48 -7.742 -8.048 -3.705 1.00 0.00 O ATOM 693 CB LEU A 48 -6.990 -5.886 -5.477 1.00 0.00 C ATOM 694 CG LEU A 48 -6.454 -5.395 -6.832 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.328 -4.386 -6.605 1.00 0.00 C ATOM 696 CD2 LEU A 48 -5.953 -6.541 -7.717 1.00 0.00 C ATOM 0 H LEU A 48 -9.231 -4.777 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.211 -7.388 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.131 -5.030 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.244 -6.529 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.284 -4.922 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.950 -4.040 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.709 -3.537 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.521 -4.861 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.586 -6.138 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.145 -7.067 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.771 -7.234 -7.912 1.00 0.00 H new ATOM 708 N LYS A 49 -9.905 -7.443 -3.867 1.00 0.00 N ATOM 709 CA LYS A 49 -10.444 -8.111 -2.685 1.00 0.00 C ATOM 710 C LYS A 49 -9.865 -7.535 -1.392 1.00 0.00 C ATOM 711 O LYS A 49 -9.532 -8.264 -0.456 1.00 0.00 O ATOM 712 CB LYS A 49 -10.369 -9.647 -2.795 1.00 0.00 C ATOM 713 CG LYS A 49 -11.165 -10.249 -3.968 1.00 0.00 C ATOM 714 CD LYS A 49 -10.352 -10.362 -5.267 1.00 0.00 C ATOM 715 CE LYS A 49 -11.199 -10.932 -6.409 1.00 0.00 C ATOM 716 NZ LYS A 49 -11.171 -12.408 -6.436 1.00 0.00 N ATOM 0 H LYS A 49 -10.632 -6.942 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.511 -7.893 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.324 -9.940 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.734 -10.082 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.521 -11.239 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.046 -9.634 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.974 -9.379 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.485 -11.001 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.229 -10.591 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.833 -10.545 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.757 -12.752 -7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.192 -12.734 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.545 -12.779 -5.539 1.00 0.00 H new ATOM 730 N ILE A 50 -9.715 -6.214 -1.349 1.00 0.00 N ATOM 731 CA ILE A 50 -9.213 -5.478 -0.201 1.00 0.00 C ATOM 732 C ILE A 50 -10.486 -4.927 0.468 1.00 0.00 C ATOM 733 O ILE A 50 -11.043 -3.949 -0.038 1.00 0.00 O ATOM 734 CB ILE A 50 -8.207 -4.401 -0.660 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.109 -4.956 -1.598 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.538 -3.735 0.544 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.231 -6.064 -1.005 1.00 0.00 C ATOM 0 H ILE A 50 -9.948 -5.611 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.645 -6.077 0.511 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.789 -3.671 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.586 -5.339 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.465 -4.131 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.833 -2.980 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.298 -3.263 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.006 -4.487 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.496 -6.381 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.717 -5.687 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.855 -6.913 -0.727 1.00 0.00 H new ATOM 749 N PRO A 51 -10.983 -5.532 1.563 1.00 0.00 N ATOM 750 CA PRO A 51 -12.196 -5.068 2.227 1.00 0.00 C ATOM 751 C PRO A 51 -11.981 -3.706 2.884 1.00 0.00 C ATOM 752 O PRO A 51 -10.888 -3.422 3.378 1.00 0.00 O ATOM 753 CB PRO A 51 -12.526 -6.147 3.254 1.00 0.00 C ATOM 754 CG PRO A 51 -11.172 -6.762 3.593 1.00 0.00 C ATOM 755 CD PRO A 51 -10.432 -6.685 2.262 1.00 0.00 C ATOM 0 HA PRO A 51 -13.016 -4.923 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.004 -5.724 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.211 -6.890 2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.658 -6.205 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.269 -7.789 3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.359 -6.571 2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.575 -7.597 1.683 1.00 0.00 H new ATOM 763 N GLU A 52 -13.039 -2.898 2.988 1.00 0.00 N ATOM 764 CA GLU A 52 -13.014 -1.547 3.562 1.00 0.00 C ATOM 765 C GLU A 52 -12.316 -1.449 4.919 1.00 0.00 C ATOM 766 O GLU A 52 -11.527 -0.521 5.119 1.00 0.00 O ATOM 767 CB GLU A 52 -14.418 -0.942 3.646 1.00 0.00 C ATOM 768 CG GLU A 52 -15.181 -1.067 2.324 1.00 0.00 C ATOM 769 CD GLU A 52 -16.353 -0.095 2.269 1.00 0.00 C ATOM 770 OE1 GLU A 52 -16.326 0.853 1.448 1.00 0.00 O ATOM 771 OE2 GLU A 52 -17.240 -0.208 3.150 1.00 0.00 O ATOM 0 H GLU A 52 -13.967 -3.173 2.665 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.411 -0.965 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.980 -1.440 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.343 0.110 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.505 -0.873 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.546 -2.087 2.207 1.00 0.00 H new ATOM 778 N GLN A 53 -12.534 -2.435 5.799 1.00 0.00 N ATOM 779 CA GLN A 53 -11.958 -2.527 7.145 1.00 0.00 C ATOM 780 C GLN A 53 -10.428 -2.452 7.159 1.00 0.00 C ATOM 781 O GLN A 53 -9.829 -2.224 8.216 1.00 0.00 O ATOM 782 CB GLN A 53 -12.441 -3.824 7.822 1.00 0.00 C ATOM 783 CG GLN A 53 -11.977 -5.127 7.142 1.00 0.00 C ATOM 784 CD GLN A 53 -12.770 -6.343 7.627 1.00 0.00 C ATOM 785 OE1 GLN A 53 -14.002 -6.327 7.658 1.00 0.00 O ATOM 786 NE2 GLN A 53 -12.119 -7.417 8.040 1.00 0.00 N ATOM 0 H GLN A 53 -13.143 -3.224 5.582 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.306 -1.658 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.093 -3.828 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.531 -3.816 7.852 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.086 -5.031 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.917 -5.283 7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.099 -7.436 8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.636 -8.227 8.382 1.00 0.00 H new ATOM 795 N PHE A 54 -9.796 -2.673 6.007 1.00 0.00 N ATOM 796 CA PHE A 54 -8.364 -2.637 5.806 1.00 0.00 C ATOM 797 C PHE A 54 -8.020 -1.649 4.684 1.00 0.00 C ATOM 798 O PHE A 54 -7.137 -0.813 4.854 1.00 0.00 O ATOM 799 CB PHE A 54 -7.888 -4.055 5.485 1.00 0.00 C ATOM 800 CG PHE A 54 -6.428 -4.065 5.120 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.057 -3.954 3.772 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.452 -4.064 6.127 1.00 0.00 C ATOM 803 CE1 PHE A 54 -4.701 -3.835 3.425 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.100 -3.947 5.785 1.00 0.00 C ATOM 805 CZ PHE A 54 -3.726 -3.825 4.438 1.00 0.00 C ATOM 0 H PHE A 54 -10.303 -2.893 5.150 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.854 -2.292 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.056 -4.702 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.475 -4.462 4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.813 -3.960 3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.743 -4.153 7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.410 -3.752 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.345 -3.951 6.557 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.683 -3.723 4.178 1.00 0.00 H new ATOM 815 N ARG A 55 -8.757 -1.669 3.568 1.00 0.00 N ATOM 816 CA ARG A 55 -8.586 -0.805 2.401 1.00 0.00 C ATOM 817 C ARG A 55 -8.502 0.669 2.780 1.00 0.00 C ATOM 818 O ARG A 55 -7.650 1.392 2.266 1.00 0.00 O ATOM 819 CB ARG A 55 -9.745 -1.044 1.430 1.00 0.00 C ATOM 820 CG ARG A 55 -9.464 -0.440 0.050 1.00 0.00 C ATOM 821 CD ARG A 55 -10.590 -0.708 -0.958 1.00 0.00 C ATOM 822 NE ARG A 55 -11.945 -0.354 -0.497 1.00 0.00 N ATOM 823 CZ ARG A 55 -12.408 0.863 -0.195 1.00 0.00 C ATOM 824 NH1 ARG A 55 -11.612 1.913 -0.081 1.00 0.00 N ATOM 825 NH2 ARG A 55 -13.698 1.031 0.000 1.00 0.00 N ATOM 0 H ARG A 55 -9.530 -2.325 3.451 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.639 -1.059 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.920 -2.115 1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.657 -0.609 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.322 0.636 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.531 -0.849 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.378 -0.152 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.578 -1.766 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.604 -1.126 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.608 1.810 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.003 2.826 0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.333 0.237 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.063 1.955 0.231 1.00 0.00 H new ATOM 839 N HIS A 56 -9.366 1.127 3.682 1.00 0.00 N ATOM 840 CA HIS A 56 -9.346 2.520 4.089 1.00 0.00 C ATOM 841 C HIS A 56 -8.025 2.887 4.763 1.00 0.00 C ATOM 842 O HIS A 56 -7.588 4.030 4.640 1.00 0.00 O ATOM 843 CB HIS A 56 -10.535 2.770 5.031 1.00 0.00 C ATOM 844 CG HIS A 56 -10.674 4.200 5.489 1.00 0.00 C ATOM 845 ND1 HIS A 56 -11.475 5.158 4.914 1.00 0.00 N ATOM 846 CD2 HIS A 56 -10.052 4.772 6.566 1.00 0.00 C ATOM 847 CE1 HIS A 56 -11.343 6.286 5.628 1.00 0.00 C ATOM 848 NE2 HIS A 56 -10.477 6.105 6.645 1.00 0.00 N ATOM 0 H HIS A 56 -10.079 0.558 4.138 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.434 3.155 3.207 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.453 2.472 4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.431 2.129 5.906 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.358 4.284 7.235 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.859 7.211 5.417 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.189 6.799 7.334 1.00 0.00 H new ATOM 856 N ALA A 57 -7.403 1.952 5.484 1.00 0.00 N ATOM 857 CA ALA A 57 -6.153 2.169 6.186 1.00 0.00 C ATOM 858 C ALA A 57 -4.979 2.257 5.223 1.00 0.00 C ATOM 859 O ALA A 57 -4.162 3.157 5.371 1.00 0.00 O ATOM 860 CB ALA A 57 -5.924 1.042 7.182 1.00 0.00 C ATOM 0 H ALA A 57 -7.768 1.006 5.593 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.222 3.120 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.984 1.207 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.743 1.019 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.880 0.091 6.651 1.00 0.00 H new ATOM 866 N ILE A 58 -4.867 1.346 4.247 1.00 0.00 N ATOM 867 CA ILE A 58 -3.772 1.386 3.287 1.00 0.00 C ATOM 868 C ILE A 58 -3.818 2.709 2.539 1.00 0.00 C ATOM 869 O ILE A 58 -2.814 3.426 2.472 1.00 0.00 O ATOM 870 CB ILE A 58 -3.809 0.168 2.323 1.00 0.00 C ATOM 871 CG1 ILE A 58 -3.088 0.390 0.979 1.00 0.00 C ATOM 872 CG2 ILE A 58 -5.195 -0.323 1.900 1.00 0.00 C ATOM 873 CD1 ILE A 58 -1.650 0.879 1.104 1.00 0.00 C ATOM 0 H ILE A 58 -5.523 0.577 4.107 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.824 1.317 3.820 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.310 -0.563 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.092 -0.546 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.654 1.114 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.090 -1.175 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.759 -0.624 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.724 0.480 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.222 1.008 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.635 1.832 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.064 0.147 1.660 1.00 0.00 H new ATOM 885 N TRP A 59 -4.997 3.022 2.001 1.00 0.00 N ATOM 886 CA TRP A 59 -5.171 4.232 1.234 1.00 0.00 C ATOM 887 C TRP A 59 -4.880 5.461 2.088 1.00 0.00 C ATOM 888 O TRP A 59 -4.087 6.312 1.687 1.00 0.00 O ATOM 889 CB TRP A 59 -6.559 4.211 0.604 1.00 0.00 C ATOM 890 CG TRP A 59 -6.671 5.058 -0.616 1.00 0.00 C ATOM 891 CD1 TRP A 59 -6.087 4.800 -1.799 1.00 0.00 C ATOM 892 CD2 TRP A 59 -7.345 6.327 -0.785 1.00 0.00 C ATOM 893 NE1 TRP A 59 -6.358 5.832 -2.683 1.00 0.00 N ATOM 894 CE2 TRP A 59 -7.170 6.788 -2.116 1.00 0.00 C ATOM 895 CE3 TRP A 59 -8.052 7.142 0.097 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.734 7.993 -2.567 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.658 8.337 -0.337 1.00 0.00 C ATOM 898 CH2 TRP A 59 -8.512 8.753 -1.675 1.00 0.00 C ATOM 0 H TRP A 59 -5.837 2.449 2.088 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.450 4.287 0.418 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.818 3.183 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.288 4.550 1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.498 3.924 -2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.000 5.878 -3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.137 6.852 1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.573 8.330 -3.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.234 8.934 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.997 9.656 -2.016 1.00 0.00 H new ATOM 909 N LYS A 60 -5.461 5.553 3.290 1.00 0.00 N ATOM 910 CA LYS A 60 -5.205 6.703 4.147 1.00 0.00 C ATOM 911 C LYS A 60 -3.745 6.759 4.559 1.00 0.00 C ATOM 912 O LYS A 60 -3.211 7.849 4.652 1.00 0.00 O ATOM 913 CB LYS A 60 -6.071 6.675 5.410 1.00 0.00 C ATOM 914 CG LYS A 60 -6.124 8.072 6.047 1.00 0.00 C ATOM 915 CD LYS A 60 -7.072 8.129 7.248 1.00 0.00 C ATOM 916 CE LYS A 60 -6.481 7.621 8.567 1.00 0.00 C ATOM 917 NZ LYS A 60 -5.319 8.407 9.022 1.00 0.00 N ATOM 0 H LYS A 60 -6.098 4.858 3.680 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.458 7.588 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.079 6.342 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.665 5.957 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.122 8.362 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.445 8.798 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.396 9.160 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.962 7.543 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.252 7.645 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.183 6.579 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.111 8.177 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.493 8.178 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.532 9.422 8.939 1.00 0.00 H new ATOM 931 N GLY A 61 -3.087 5.633 4.812 1.00 0.00 N ATOM 932 CA GLY A 61 -1.697 5.601 5.230 1.00 0.00 C ATOM 933 C GLY A 61 -0.799 6.275 4.205 1.00 0.00 C ATOM 934 O GLY A 61 -0.005 7.146 4.550 1.00 0.00 O ATOM 0 H GLY A 61 -3.511 4.709 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.593 6.100 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.381 4.568 5.371 1.00 0.00 H new ATOM 938 N ILE A 62 -0.937 5.890 2.936 1.00 0.00 N ATOM 939 CA ILE A 62 -0.104 6.457 1.885 1.00 0.00 C ATOM 940 C ILE A 62 -0.520 7.884 1.593 1.00 0.00 C ATOM 941 O ILE A 62 0.361 8.736 1.497 1.00 0.00 O ATOM 942 CB ILE A 62 -0.075 5.523 0.669 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.314 5.412 0.000 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.171 5.720 -0.381 1.00 0.00 C ATOM 945 CD1 ILE A 62 1.893 6.710 -0.575 1.00 0.00 C ATOM 0 H ILE A 62 -1.612 5.195 2.617 1.00 0.00 H new ATOM 0 HA ILE A 62 0.932 6.528 2.215 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.310 4.567 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.017 5.018 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.249 4.679 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.037 4.998 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.147 5.572 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.110 6.730 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.869 6.509 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.221 7.101 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.001 7.445 0.223 1.00 0.00 H new ATOM 957 N LEU A 63 -1.826 8.172 1.479 1.00 0.00 N ATOM 958 CA LEU A 63 -2.235 9.544 1.205 1.00 0.00 C ATOM 959 C LEU A 63 -1.815 10.453 2.351 1.00 0.00 C ATOM 960 O LEU A 63 -1.519 11.610 2.101 1.00 0.00 O ATOM 961 CB LEU A 63 -3.743 9.662 0.956 1.00 0.00 C ATOM 962 CG LEU A 63 -4.076 9.639 -0.546 1.00 0.00 C ATOM 963 CD1 LEU A 63 -3.768 8.295 -1.210 1.00 0.00 C ATOM 964 CD2 LEU A 63 -5.560 9.930 -0.717 1.00 0.00 C ATOM 0 H LEU A 63 -2.586 7.497 1.569 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.733 9.858 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.259 8.842 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.113 10.588 1.397 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.452 10.392 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.025 8.345 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.706 8.072 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.353 7.510 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.813 9.918 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.142 9.170 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.789 10.911 -0.301 1.00 0.00 H new ATOM 976 N ASP A 64 -1.800 9.954 3.583 1.00 0.00 N ATOM 977 CA ASP A 64 -1.419 10.750 4.759 1.00 0.00 C ATOM 978 C ASP A 64 0.083 10.996 4.765 1.00 0.00 C ATOM 979 O ASP A 64 0.530 12.077 5.114 1.00 0.00 O ATOM 980 CB ASP A 64 -1.845 10.059 6.060 1.00 0.00 C ATOM 981 CG ASP A 64 -1.512 10.864 7.327 1.00 0.00 C ATOM 982 OD1 ASP A 64 -2.428 11.565 7.822 1.00 0.00 O ATOM 983 OD2 ASP A 64 -0.410 10.697 7.891 1.00 0.00 O ATOM 0 H ASP A 64 -2.050 8.989 3.801 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.937 11.707 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.919 9.876 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.358 9.086 6.120 1.00 0.00 H new ATOM 988 N HIS A 65 0.856 9.992 4.355 1.00 0.00 N ATOM 989 CA HIS A 65 2.303 10.039 4.301 1.00 0.00 C ATOM 990 C HIS A 65 2.710 11.075 3.269 1.00 0.00 C ATOM 991 O HIS A 65 3.418 12.020 3.598 1.00 0.00 O ATOM 992 CB HIS A 65 2.858 8.646 3.971 1.00 0.00 C ATOM 993 CG HIS A 65 4.327 8.645 3.630 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.339 9.238 4.351 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.881 8.100 2.505 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.486 9.055 3.679 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.261 8.337 2.561 1.00 0.00 N ATOM 0 H HIS A 65 0.474 9.099 4.043 1.00 0.00 H new ATOM 0 HA HIS A 65 2.719 10.328 5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.691 7.987 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.299 8.231 3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.352 7.582 1.718 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.450 9.429 3.989 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.960 8.026 1.886 1.00 0.00 H new ATOM 1005 N ARG A 66 2.246 10.928 2.025 1.00 0.00 N ATOM 1006 CA ARG A 66 2.579 11.885 0.974 1.00 0.00 C ATOM 1007 C ARG A 66 2.004 13.263 1.308 1.00 0.00 C ATOM 1008 O ARG A 66 2.591 14.262 0.906 1.00 0.00 O ATOM 1009 CB ARG A 66 2.192 11.346 -0.412 1.00 0.00 C ATOM 1010 CG ARG A 66 0.693 11.061 -0.587 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.088 12.175 -1.292 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.597 11.737 -2.612 1.00 0.00 N ATOM 1013 CZ ARG A 66 0.145 11.327 -3.652 1.00 0.00 C ATOM 1014 NH1 ARG A 66 1.435 11.629 -3.741 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -0.397 10.590 -4.612 1.00 0.00 N ATOM 0 H ARG A 66 1.644 10.161 1.725 1.00 0.00 H new ATOM 0 HA ARG A 66 3.660 12.018 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.503 12.067 -1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.748 10.427 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.576 10.138 -1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.252 10.891 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.923 12.486 -0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.556 13.045 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.608 11.748 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.881 12.183 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.980 11.307 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.383 10.332 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.172 10.281 -5.400 1.00 0.00 H new ATOM 1029 N GLN A 67 0.878 13.346 2.029 1.00 0.00 N ATOM 1030 CA GLN A 67 0.327 14.655 2.397 1.00 0.00 C ATOM 1031 C GLN A 67 1.160 15.318 3.505 1.00 0.00 C ATOM 1032 O GLN A 67 1.239 16.550 3.543 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.133 14.549 2.870 1.00 0.00 C ATOM 1034 CG GLN A 67 -2.118 14.467 1.693 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.486 13.900 2.070 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -3.924 13.941 3.219 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -4.220 13.380 1.101 1.00 0.00 N ATOM 0 H GLN A 67 0.343 12.544 2.362 1.00 0.00 H new ATOM 0 HA GLN A 67 0.363 15.268 1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.246 13.666 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.377 15.414 3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.252 15.464 1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.682 13.847 0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.857 13.346 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.149 13.013 1.306 1.00 0.00 H new ATOM 1046 N LEU A 68 1.786 14.551 4.403 1.00 0.00 N ATOM 1047 CA LEU A 68 2.584 15.073 5.511 1.00 0.00 C ATOM 1048 C LEU A 68 4.091 15.114 5.251 1.00 0.00 C ATOM 1049 O LEU A 68 4.809 15.704 6.065 1.00 0.00 O ATOM 1050 CB LEU A 68 2.285 14.264 6.788 1.00 0.00 C ATOM 1051 CG LEU A 68 0.871 14.450 7.372 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.786 13.751 8.733 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.526 15.932 7.560 1.00 0.00 C ATOM 0 H LEU A 68 1.750 13.532 4.378 1.00 0.00 H new ATOM 0 HA LEU A 68 2.285 16.114 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.434 13.206 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.014 14.538 7.551 1.00 0.00 H new ATOM 0 HG LEU A 68 0.161 14.016 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.214 13.882 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.991 12.688 8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.520 14.186 9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.478 16.022 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.242 16.388 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.569 16.441 6.597 1.00 0.00 H new ATOM 1065 N HIS A 69 4.570 14.537 4.155 1.00 0.00 N ATOM 1066 CA HIS A 69 5.969 14.470 3.754 1.00 0.00 C ATOM 1067 C HIS A 69 6.099 14.995 2.320 1.00 0.00 C ATOM 1068 O HIS A 69 5.168 15.586 1.767 1.00 0.00 O ATOM 1069 CB HIS A 69 6.459 13.015 3.916 1.00 0.00 C ATOM 1070 CG HIS A 69 7.961 12.859 3.919 1.00 0.00 C ATOM 1071 ND1 HIS A 69 8.806 13.267 4.925 1.00 0.00 N ATOM 1072 CD2 HIS A 69 8.733 12.330 2.920 1.00 0.00 C ATOM 1073 CE1 HIS A 69 10.064 12.987 4.553 1.00 0.00 C ATOM 1074 NE2 HIS A 69 10.070 12.436 3.325 1.00 0.00 N ATOM 0 H HIS A 69 3.955 14.077 3.484 1.00 0.00 H new ATOM 0 HA HIS A 69 6.601 15.097 4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.062 12.613 4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.045 12.413 3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.377 11.909 1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.943 13.176 5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.891 12.150 2.791 1.00 0.00 H new ATOM 1082 N ASP A 70 7.271 14.829 1.719 1.00 0.00 N ATOM 1083 CA ASP A 70 7.586 15.245 0.365 1.00 0.00 C ATOM 1084 C ASP A 70 8.538 14.214 -0.201 1.00 0.00 C ATOM 1085 O ASP A 70 8.050 13.232 -0.801 1.00 0.00 O ATOM 1086 CB ASP A 70 8.173 16.655 0.400 1.00 0.00 C ATOM 1087 CG ASP A 70 8.513 17.136 -1.001 1.00 0.00 C ATOM 1088 OD1 ASP A 70 7.587 17.731 -1.606 1.00 0.00 O ATOM 1089 OD2 ASP A 70 9.697 17.041 -1.400 1.00 0.00 O ATOM 0 H ASP A 70 8.060 14.381 2.186 1.00 0.00 H new ATOM 0 HA ASP A 70 6.707 15.295 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.460 17.339 0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.070 16.665 1.020 1.00 0.00 H new TER 1094 ASP A 70