USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 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 33 THR OG1 : rot 65:sc= -4.35! USER MOD Set 1.2: A 35 TYR OH : rot -119:sc= -0.0152! USER MOD Single : A 1 MET CE :methyl -135:sc= -0.427 (180deg=-1.9!) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.105 (180deg=-1.03) USER MOD Single : A 8 CYS SG : rot 7:sc= -6.27! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 27 THR OG1 : rot -39:sc= 0.897 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.445 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4.1!) USER MOD Single : A 37 SER OG : rot -83:sc= 1.71 USER MOD Single : A 39 THR OG1 : rot -22:sc= 0.215 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0333 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0125 (180deg=-0.14) USER MOD Single : A 50 THR OG1 : rot 62:sc= -6.08! USER MOD Single : A 52 TYR OH : rot -76:sc= -6.06! USER MOD Single : A 57 CYS SG : rot -110:sc= -6.77! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -120:sc= -0.574 (180deg=-3.89!) USER MOD Single : A 66 GLN : amide:sc= -0.879 K(o=-0.88,f=-1.7!) USER MOD Single : A 70 CYS SG : rot 180:sc= -3.4! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.147 1.980 9.918 1.00 0.00 N ATOM 2 CA MET A 1 46.184 0.916 10.021 1.00 0.00 C ATOM 3 C MET A 1 45.853 -0.214 9.044 1.00 0.00 C ATOM 4 O MET A 1 45.108 -0.034 8.102 1.00 0.00 O ATOM 5 CB MET A 1 46.211 0.364 11.449 1.00 0.00 C ATOM 6 CG MET A 1 46.532 1.494 12.428 1.00 0.00 C ATOM 7 SD MET A 1 46.331 0.897 14.124 1.00 0.00 S ATOM 8 CE MET A 1 44.550 0.580 14.044 1.00 0.00 C ATOM 0 H1 MET A 1 45.595 2.913 10.025 1.00 0.00 H new ATOM 0 H2 MET A 1 44.682 1.923 8.989 1.00 0.00 H new ATOM 0 H3 MET A 1 44.439 1.848 10.668 1.00 0.00 H new ATOM 0 HA MET A 1 47.160 1.335 9.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 45.248 -0.082 11.696 1.00 0.00 H new ATOM 0 HB3 MET A 1 46.958 -0.425 11.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.552 1.845 12.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.872 2.343 12.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 44.070 0.970 14.942 1.00 0.00 H new ATOM 0 HE2 MET A 1 44.132 1.073 13.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 44.374 -0.494 13.976 1.00 0.00 H new ATOM 18 N ALA A 2 46.401 -1.379 9.260 1.00 0.00 N ATOM 19 CA ALA A 2 46.117 -2.517 8.343 1.00 0.00 C ATOM 20 C ALA A 2 46.267 -2.049 6.895 1.00 0.00 C ATOM 21 O ALA A 2 45.332 -1.563 6.290 1.00 0.00 O ATOM 22 CB ALA A 2 44.688 -3.014 8.573 1.00 0.00 C ATOM 0 H ALA A 2 47.033 -1.591 10.032 1.00 0.00 H new ATOM 0 HA ALA A 2 46.818 -3.328 8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 2 44.480 -3.847 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 2 44.580 -3.345 9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 2 43.985 -2.205 8.375 1.00 0.00 H new ATOM 28 N GLU A 3 47.437 -2.190 6.334 1.00 0.00 N ATOM 29 CA GLU A 3 47.644 -1.750 4.926 1.00 0.00 C ATOM 30 C GLU A 3 47.658 -2.972 4.005 1.00 0.00 C ATOM 31 O GLU A 3 47.304 -4.065 4.402 1.00 0.00 O ATOM 32 CB GLU A 3 48.979 -1.010 4.816 1.00 0.00 C ATOM 33 CG GLU A 3 48.746 0.493 4.981 1.00 0.00 C ATOM 34 CD GLU A 3 48.430 1.115 3.620 1.00 0.00 C ATOM 35 OE1 GLU A 3 47.396 0.781 3.065 1.00 0.00 O ATOM 36 OE2 GLU A 3 49.226 1.915 3.157 1.00 0.00 O ATOM 0 H GLU A 3 48.257 -2.590 6.789 1.00 0.00 H new ATOM 0 HA GLU A 3 46.834 -1.084 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 3 49.669 -1.368 5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 3 49.441 -1.213 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 3 47.923 0.670 5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 3 49.630 0.963 5.411 1.00 0.00 H new ATOM 43 N ASP A 4 48.062 -2.795 2.777 1.00 0.00 N ATOM 44 CA ASP A 4 48.096 -3.944 1.829 1.00 0.00 C ATOM 45 C ASP A 4 49.545 -4.251 1.442 1.00 0.00 C ATOM 46 O ASP A 4 49.981 -3.955 0.348 1.00 0.00 O ATOM 47 CB ASP A 4 47.297 -3.590 0.572 1.00 0.00 C ATOM 48 CG ASP A 4 46.077 -4.507 0.465 1.00 0.00 C ATOM 49 OD1 ASP A 4 45.751 -5.144 1.453 1.00 0.00 O ATOM 50 OD2 ASP A 4 45.489 -4.556 -0.603 1.00 0.00 O ATOM 0 H ASP A 4 48.370 -1.903 2.389 1.00 0.00 H new ATOM 0 HA ASP A 4 47.657 -4.820 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 4 46.979 -2.548 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 4 47.925 -3.698 -0.313 1.00 0.00 H new ATOM 55 N TRP A 5 50.295 -4.844 2.331 1.00 0.00 N ATOM 56 CA TRP A 5 51.713 -5.170 2.011 1.00 0.00 C ATOM 57 C TRP A 5 51.759 -6.076 0.779 1.00 0.00 C ATOM 58 O TRP A 5 51.289 -7.196 0.802 1.00 0.00 O ATOM 59 CB TRP A 5 52.353 -5.889 3.202 1.00 0.00 C ATOM 60 CG TRP A 5 52.144 -5.086 4.448 1.00 0.00 C ATOM 61 CD1 TRP A 5 51.048 -5.150 5.239 1.00 0.00 C ATOM 62 CD2 TRP A 5 53.033 -4.107 5.060 1.00 0.00 C ATOM 63 NE1 TRP A 5 51.206 -4.270 6.294 1.00 0.00 N ATOM 64 CE2 TRP A 5 52.414 -3.605 6.229 1.00 0.00 C ATOM 65 CE3 TRP A 5 54.303 -3.611 4.717 1.00 0.00 C ATOM 66 CZ2 TRP A 5 53.033 -2.644 7.030 1.00 0.00 C ATOM 67 CZ3 TRP A 5 54.930 -2.644 5.521 1.00 0.00 C ATOM 68 CH2 TRP A 5 54.296 -2.162 6.675 1.00 0.00 C ATOM 0 H TRP A 5 49.987 -5.116 3.264 1.00 0.00 H new ATOM 0 HA TRP A 5 52.262 -4.251 1.807 1.00 0.00 H new ATOM 0 HB2 TRP A 5 51.915 -6.880 3.319 1.00 0.00 H new ATOM 0 HB3 TRP A 5 53.419 -6.031 3.024 1.00 0.00 H new ATOM 0 HD1 TRP A 5 50.190 -5.785 5.073 1.00 0.00 H new ATOM 0 HE1 TRP A 5 50.514 -4.129 7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 5 54.800 -3.975 3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 52.540 -2.276 7.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 55.906 -2.270 5.248 1.00 0.00 H new ATOM 0 HH2 TRP A 5 54.783 -1.419 7.289 1.00 0.00 H new ATOM 79 N LEU A 6 52.318 -5.597 -0.298 1.00 0.00 N ATOM 80 CA LEU A 6 52.389 -6.427 -1.535 1.00 0.00 C ATOM 81 C LEU A 6 53.788 -7.034 -1.666 1.00 0.00 C ATOM 82 O LEU A 6 54.740 -6.556 -1.084 1.00 0.00 O ATOM 83 CB LEU A 6 52.101 -5.546 -2.752 1.00 0.00 C ATOM 84 CG LEU A 6 50.780 -4.804 -2.545 1.00 0.00 C ATOM 85 CD1 LEU A 6 50.479 -3.939 -3.771 1.00 0.00 C ATOM 86 CD2 LEU A 6 49.652 -5.819 -2.350 1.00 0.00 C ATOM 0 H LEU A 6 52.729 -4.667 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 6 51.651 -7.227 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 6 52.912 -4.832 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 6 52.049 -6.158 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 6 50.856 -4.168 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 6 49.537 -3.411 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 6 51.282 -3.216 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 6 50.403 -4.573 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 6 48.710 -5.292 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 6 49.578 -6.454 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 6 49.864 -6.435 -1.476 1.00 0.00 H new ATOM 98 N ASP A 7 53.919 -8.085 -2.431 1.00 0.00 N ATOM 99 CA ASP A 7 55.257 -8.718 -2.602 1.00 0.00 C ATOM 100 C ASP A 7 56.285 -7.641 -2.958 1.00 0.00 C ATOM 101 O ASP A 7 56.054 -6.812 -3.815 1.00 0.00 O ATOM 102 CB ASP A 7 55.192 -9.754 -3.726 1.00 0.00 C ATOM 103 CG ASP A 7 55.687 -11.105 -3.206 1.00 0.00 C ATOM 104 OD1 ASP A 7 55.373 -11.432 -2.074 1.00 0.00 O ATOM 105 OD2 ASP A 7 56.373 -11.788 -3.948 1.00 0.00 O ATOM 0 H ASP A 7 53.158 -8.531 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 7 55.550 -9.209 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 7 54.169 -9.846 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 7 55.803 -9.431 -4.568 1.00 0.00 H new ATOM 110 N CYS A 8 57.416 -7.643 -2.304 1.00 0.00 N ATOM 111 CA CYS A 8 58.455 -6.615 -2.602 1.00 0.00 C ATOM 112 C CYS A 8 59.366 -7.112 -3.735 1.00 0.00 C ATOM 113 O CYS A 8 60.103 -8.062 -3.555 1.00 0.00 O ATOM 114 CB CYS A 8 59.299 -6.376 -1.349 1.00 0.00 C ATOM 115 SG CYS A 8 60.692 -5.296 -1.759 1.00 0.00 S ATOM 0 H CYS A 8 57.665 -8.313 -1.576 1.00 0.00 H new ATOM 0 HA CYS A 8 57.970 -5.688 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 8 58.690 -5.921 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 8 59.664 -7.325 -0.956 1.00 0.00 H new ATOM 0 HG CYS A 8 60.562 -4.865 -2.978 1.00 0.00 H new ATOM 121 N PRO A 9 59.291 -6.458 -4.869 1.00 0.00 N ATOM 122 CA PRO A 9 60.105 -6.817 -6.045 1.00 0.00 C ATOM 123 C PRO A 9 61.529 -6.265 -5.909 1.00 0.00 C ATOM 124 O PRO A 9 62.493 -7.005 -5.928 1.00 0.00 O ATOM 125 CB PRO A 9 59.377 -6.135 -7.205 1.00 0.00 C ATOM 126 CG PRO A 9 58.553 -4.981 -6.585 1.00 0.00 C ATOM 127 CD PRO A 9 58.392 -5.307 -5.089 1.00 0.00 C ATOM 0 HA PRO A 9 60.207 -7.894 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 9 60.087 -5.754 -7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 9 58.728 -6.840 -7.725 1.00 0.00 H new ATOM 0 HG2 PRO A 9 59.061 -4.026 -6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 9 57.580 -4.896 -7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 9 58.672 -4.459 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 9 57.359 -5.556 -4.845 1.00 0.00 H new ATOM 135 N ALA A 10 61.662 -4.969 -5.786 1.00 0.00 N ATOM 136 CA ALA A 10 63.016 -4.354 -5.661 1.00 0.00 C ATOM 137 C ALA A 10 63.924 -5.232 -4.794 1.00 0.00 C ATOM 138 O ALA A 10 65.094 -5.396 -5.079 1.00 0.00 O ATOM 139 CB ALA A 10 62.888 -2.969 -5.022 1.00 0.00 C ATOM 0 H ALA A 10 60.886 -4.308 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 10 63.456 -4.265 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 10 63.876 -2.518 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 10 62.257 -2.337 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 10 62.439 -3.065 -4.033 1.00 0.00 H new ATOM 145 N LEU A 11 63.402 -5.798 -3.740 1.00 0.00 N ATOM 146 CA LEU A 11 64.251 -6.660 -2.867 1.00 0.00 C ATOM 147 C LEU A 11 64.088 -8.126 -3.274 1.00 0.00 C ATOM 148 O LEU A 11 65.020 -8.762 -3.723 1.00 0.00 O ATOM 149 CB LEU A 11 63.830 -6.493 -1.404 1.00 0.00 C ATOM 150 CG LEU A 11 63.934 -5.022 -0.988 1.00 0.00 C ATOM 151 CD1 LEU A 11 63.941 -4.928 0.538 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.229 -4.414 -1.532 1.00 0.00 C ATOM 0 H LEU A 11 62.430 -5.702 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 11 65.293 -6.362 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 11 62.807 -6.845 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 11 64.464 -7.105 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 11 63.082 -4.476 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.015 -3.883 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.019 -5.354 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 11 64.794 -5.480 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.294 -3.368 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.083 -4.960 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 11 65.233 -4.480 -2.620 1.00 0.00 H new ATOM 164 N GLY A 12 62.911 -8.671 -3.117 1.00 0.00 N ATOM 165 CA GLY A 12 62.696 -10.097 -3.493 1.00 0.00 C ATOM 166 C GLY A 12 61.558 -10.686 -2.651 1.00 0.00 C ATOM 167 O GLY A 12 60.671 -9.973 -2.226 1.00 0.00 O ATOM 0 H GLY A 12 62.091 -8.191 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 12 62.453 -10.171 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 12 63.611 -10.667 -3.335 1.00 0.00 H new ATOM 171 N PRO A 13 61.621 -11.976 -2.440 1.00 0.00 N ATOM 172 CA PRO A 13 60.608 -12.704 -1.654 1.00 0.00 C ATOM 173 C PRO A 13 60.853 -12.508 -0.156 1.00 0.00 C ATOM 174 O PRO A 13 61.975 -12.359 0.285 1.00 0.00 O ATOM 175 CB PRO A 13 60.829 -14.166 -2.052 1.00 0.00 C ATOM 176 CG PRO A 13 62.282 -14.260 -2.578 1.00 0.00 C ATOM 177 CD PRO A 13 62.706 -12.830 -2.964 1.00 0.00 C ATOM 0 HA PRO A 13 59.591 -12.362 -1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 13 60.681 -14.828 -1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 13 60.118 -14.472 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 13 62.945 -14.667 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 13 62.340 -14.926 -3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 13 63.668 -12.567 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 13 62.810 -12.723 -4.044 1.00 0.00 H new ATOM 185 N GLY A 14 59.812 -12.509 0.630 1.00 0.00 N ATOM 186 CA GLY A 14 59.990 -12.325 2.097 1.00 0.00 C ATOM 187 C GLY A 14 59.774 -10.856 2.459 1.00 0.00 C ATOM 188 O GLY A 14 59.004 -10.530 3.340 1.00 0.00 O ATOM 0 H GLY A 14 58.848 -12.629 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 14 59.283 -12.952 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 14 60.990 -12.640 2.395 1.00 0.00 H new ATOM 192 N TRP A 15 60.449 -9.966 1.785 1.00 0.00 N ATOM 193 CA TRP A 15 60.284 -8.518 2.089 1.00 0.00 C ATOM 194 C TRP A 15 58.889 -8.061 1.657 1.00 0.00 C ATOM 195 O TRP A 15 58.485 -8.252 0.526 1.00 0.00 O ATOM 196 CB TRP A 15 61.341 -7.718 1.326 1.00 0.00 C ATOM 197 CG TRP A 15 61.644 -6.452 2.062 1.00 0.00 C ATOM 198 CD1 TRP A 15 61.309 -5.211 1.643 1.00 0.00 C ATOM 199 CD2 TRP A 15 62.339 -6.279 3.331 1.00 0.00 C ATOM 200 NE1 TRP A 15 61.756 -4.290 2.573 1.00 0.00 N ATOM 201 CE2 TRP A 15 62.396 -4.899 3.631 1.00 0.00 C ATOM 202 CE3 TRP A 15 62.920 -7.177 4.239 1.00 0.00 C ATOM 203 CZ2 TRP A 15 63.009 -4.426 4.792 1.00 0.00 C ATOM 204 CZ3 TRP A 15 63.538 -6.706 5.409 1.00 0.00 C ATOM 205 CH2 TRP A 15 63.583 -5.334 5.684 1.00 0.00 C ATOM 0 H TRP A 15 61.108 -10.180 1.036 1.00 0.00 H new ATOM 0 HA TRP A 15 60.403 -8.354 3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 15 62.249 -8.311 1.214 1.00 0.00 H new ATOM 0 HB3 TRP A 15 60.983 -7.490 0.322 1.00 0.00 H new ATOM 0 HD1 TRP A 15 60.779 -4.977 0.731 1.00 0.00 H new ATOM 0 HE1 TRP A 15 61.628 -3.282 2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 15 62.892 -8.238 4.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 63.039 -3.366 4.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 63.981 -7.407 6.101 1.00 0.00 H new ATOM 0 HH2 TRP A 15 64.061 -4.978 6.585 1.00 0.00 H new ATOM 216 N LYS A 16 58.151 -7.455 2.546 1.00 0.00 N ATOM 217 CA LYS A 16 56.786 -6.982 2.183 1.00 0.00 C ATOM 218 C LYS A 16 56.864 -5.514 1.767 1.00 0.00 C ATOM 219 O LYS A 16 57.173 -4.653 2.563 1.00 0.00 O ATOM 220 CB LYS A 16 55.857 -7.120 3.392 1.00 0.00 C ATOM 221 CG LYS A 16 54.939 -8.328 3.197 1.00 0.00 C ATOM 222 CD LYS A 16 55.742 -9.615 3.392 1.00 0.00 C ATOM 223 CE LYS A 16 55.294 -10.656 2.364 1.00 0.00 C ATOM 224 NZ LYS A 16 55.521 -12.024 2.909 1.00 0.00 N ATOM 0 H LYS A 16 58.434 -7.267 3.508 1.00 0.00 H new ATOM 0 HA LYS A 16 56.396 -7.580 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 56.444 -7.239 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 16 55.263 -6.214 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 16 54.114 -8.290 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 16 54.501 -8.308 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.807 -9.412 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 16 55.595 -9.999 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 16 54.239 -10.518 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 16 55.849 -10.527 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 55.216 -12.731 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 56.533 -12.153 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 54.973 -12.144 3.785 1.00 0.00 H new ATOM 238 N ARG A 17 56.596 -5.220 0.525 1.00 0.00 N ATOM 239 CA ARG A 17 56.669 -3.804 0.070 1.00 0.00 C ATOM 240 C ARG A 17 55.283 -3.163 0.144 1.00 0.00 C ATOM 241 O ARG A 17 54.477 -3.300 -0.755 1.00 0.00 O ATOM 242 CB ARG A 17 57.171 -3.756 -1.374 1.00 0.00 C ATOM 243 CG ARG A 17 57.583 -2.325 -1.723 1.00 0.00 C ATOM 244 CD ARG A 17 59.010 -2.326 -2.272 1.00 0.00 C ATOM 245 NE ARG A 17 59.974 -2.339 -1.136 1.00 0.00 N ATOM 246 CZ ARG A 17 61.257 -2.327 -1.370 1.00 0.00 C ATOM 247 NH1 ARG A 17 61.699 -2.061 -2.568 1.00 0.00 N ATOM 248 NH2 ARG A 17 62.098 -2.581 -0.405 1.00 0.00 N ATOM 0 H ARG A 17 56.331 -5.896 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 17 57.356 -3.257 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 17 58.018 -4.430 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 17 56.390 -4.097 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 17 56.898 -1.908 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 17 57.523 -1.692 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 17 59.167 -3.198 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 17 59.174 -1.445 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 17 59.631 -2.357 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 17 61.041 -1.862 -3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 17 62.702 -2.052 -2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 17 61.752 -2.789 0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 17 63.102 -2.572 -0.587 1.00 0.00 H new ATOM 262 N ARG A 18 54.999 -2.458 1.205 1.00 0.00 N ATOM 263 CA ARG A 18 53.667 -1.805 1.325 1.00 0.00 C ATOM 264 C ARG A 18 53.791 -0.321 0.971 1.00 0.00 C ATOM 265 O ARG A 18 54.795 0.308 1.240 1.00 0.00 O ATOM 266 CB ARG A 18 53.154 -1.945 2.760 1.00 0.00 C ATOM 267 CG ARG A 18 51.901 -1.086 2.944 1.00 0.00 C ATOM 268 CD ARG A 18 50.797 -1.579 2.006 1.00 0.00 C ATOM 269 NE ARG A 18 49.969 -0.424 1.561 1.00 0.00 N ATOM 270 CZ ARG A 18 49.173 -0.548 0.534 1.00 0.00 C ATOM 271 NH1 ARG A 18 49.603 -1.111 -0.562 1.00 0.00 N ATOM 272 NH2 ARG A 18 47.947 -0.109 0.603 1.00 0.00 N ATOM 0 H ARG A 18 55.631 -2.307 1.991 1.00 0.00 H new ATOM 0 HA ARG A 18 52.967 -2.285 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.926 -2.989 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.926 -1.636 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 18 51.562 -1.137 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 18 52.130 -0.041 2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.236 -2.079 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.173 -2.312 2.516 1.00 0.00 H new ATOM 0 HE ARG A 18 50.024 0.464 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 18 50.562 -1.455 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 18 48.980 -1.207 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 18 47.610 0.331 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 18 47.325 -0.206 -0.199 1.00 0.00 H new ATOM 286 N GLU A 19 52.779 0.245 0.372 1.00 0.00 N ATOM 287 CA GLU A 19 52.843 1.689 0.006 1.00 0.00 C ATOM 288 C GLU A 19 51.900 2.486 0.911 1.00 0.00 C ATOM 289 O GLU A 19 51.042 1.932 1.569 1.00 0.00 O ATOM 290 CB GLU A 19 52.422 1.867 -1.455 1.00 0.00 C ATOM 291 CG GLU A 19 50.979 1.394 -1.633 1.00 0.00 C ATOM 292 CD GLU A 19 50.460 1.842 -3.001 1.00 0.00 C ATOM 293 OE1 GLU A 19 49.974 2.957 -3.090 1.00 0.00 O ATOM 294 OE2 GLU A 19 50.559 1.063 -3.935 1.00 0.00 O ATOM 0 H GLU A 19 51.912 -0.229 0.120 1.00 0.00 H new ATOM 0 HA GLU A 19 53.863 2.051 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.511 2.914 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.085 1.298 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 19 50.928 0.308 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 50.351 1.803 -0.842 1.00 0.00 H new ATOM 301 N VAL A 20 52.052 3.783 0.951 1.00 0.00 N ATOM 302 CA VAL A 20 51.164 4.612 1.815 1.00 0.00 C ATOM 303 C VAL A 20 50.732 5.862 1.050 1.00 0.00 C ATOM 304 O VAL A 20 51.102 6.968 1.390 1.00 0.00 O ATOM 305 CB VAL A 20 51.920 5.025 3.079 1.00 0.00 C ATOM 306 CG1 VAL A 20 51.042 5.955 3.919 1.00 0.00 C ATOM 307 CG2 VAL A 20 52.268 3.778 3.893 1.00 0.00 C ATOM 0 H VAL A 20 52.752 4.303 0.423 1.00 0.00 H new ATOM 0 HA VAL A 20 50.284 4.032 2.092 1.00 0.00 H new ATOM 0 HB VAL A 20 52.836 5.546 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 20 51.581 6.249 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 20 50.794 6.843 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 20 50.125 5.436 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 20 52.807 4.070 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 20 51.352 3.258 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 20 52.894 3.116 3.295 1.00 0.00 H new ATOM 317 N PHE A 21 49.955 5.692 0.015 1.00 0.00 N ATOM 318 CA PHE A 21 49.496 6.864 -0.782 1.00 0.00 C ATOM 319 C PHE A 21 49.118 8.013 0.156 1.00 0.00 C ATOM 320 O PHE A 21 48.019 8.076 0.667 1.00 0.00 O ATOM 321 CB PHE A 21 48.280 6.467 -1.628 1.00 0.00 C ATOM 322 CG PHE A 21 47.174 5.949 -0.735 1.00 0.00 C ATOM 323 CD1 PHE A 21 47.221 4.638 -0.243 1.00 0.00 C ATOM 324 CD2 PHE A 21 46.099 6.782 -0.402 1.00 0.00 C ATOM 325 CE1 PHE A 21 46.194 4.163 0.581 1.00 0.00 C ATOM 326 CE2 PHE A 21 45.073 6.306 0.422 1.00 0.00 C ATOM 327 CZ PHE A 21 45.120 4.997 0.914 1.00 0.00 C ATOM 0 H PHE A 21 49.617 4.787 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 21 50.303 7.189 -1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 21 47.926 7.327 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 21 48.564 5.702 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 21 48.049 3.994 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 21 46.062 7.793 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 21 46.230 3.152 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 21 44.244 6.949 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 21 44.328 4.630 1.550 1.00 0.00 H new ATOM 337 N ARG A 22 50.022 8.925 0.386 1.00 0.00 N ATOM 338 CA ARG A 22 49.711 10.069 1.289 1.00 0.00 C ATOM 339 C ARG A 22 48.529 10.856 0.721 1.00 0.00 C ATOM 340 O ARG A 22 47.530 11.060 1.382 1.00 0.00 O ATOM 341 CB ARG A 22 50.932 10.987 1.391 1.00 0.00 C ATOM 342 CG ARG A 22 51.938 10.393 2.378 1.00 0.00 C ATOM 343 CD ARG A 22 51.265 10.197 3.737 1.00 0.00 C ATOM 344 NE ARG A 22 52.198 10.620 4.818 1.00 0.00 N ATOM 345 CZ ARG A 22 51.794 10.639 6.058 1.00 0.00 C ATOM 346 NH1 ARG A 22 51.885 9.563 6.790 1.00 0.00 N ATOM 347 NH2 ARG A 22 51.298 11.735 6.565 1.00 0.00 N ATOM 0 H ARG A 22 50.961 8.928 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 22 49.457 9.692 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 22 51.394 11.104 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 22 50.627 11.980 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 22 52.311 9.439 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 22 52.799 11.054 2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 22 50.345 10.780 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 22 50.987 9.151 3.870 1.00 0.00 H new ATOM 0 HE ARG A 22 53.153 10.895 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 22 52.272 8.707 6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 22 51.569 9.578 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 22 51.227 12.575 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 22 50.982 11.751 7.535 1.00 0.00 H new ATOM 361 N LYS A 23 48.635 11.300 -0.502 1.00 0.00 N ATOM 362 CA LYS A 23 47.519 12.074 -1.114 1.00 0.00 C ATOM 363 C LYS A 23 47.968 12.624 -2.469 1.00 0.00 C ATOM 364 O LYS A 23 49.122 12.950 -2.665 1.00 0.00 O ATOM 365 CB LYS A 23 47.138 13.233 -0.192 1.00 0.00 C ATOM 366 CG LYS A 23 46.187 14.179 -0.926 1.00 0.00 C ATOM 367 CD LYS A 23 45.830 15.354 -0.014 1.00 0.00 C ATOM 368 CE LYS A 23 45.082 14.837 1.216 1.00 0.00 C ATOM 369 NZ LYS A 23 44.545 15.991 1.993 1.00 0.00 N ATOM 0 H LYS A 23 49.447 11.160 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 23 46.656 11.423 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 23 46.662 12.851 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.033 13.771 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 23 46.654 14.544 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 23 45.283 13.646 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 23 46.735 15.879 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 23 45.212 16.072 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.268 14.180 0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 23 45.752 14.245 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.036 15.640 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 45.331 16.601 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 43.893 16.538 1.396 1.00 0.00 H new ATOM 383 N SER A 24 47.068 12.729 -3.409 1.00 0.00 N ATOM 384 CA SER A 24 47.451 13.256 -4.749 1.00 0.00 C ATOM 385 C SER A 24 46.918 14.681 -4.913 1.00 0.00 C ATOM 386 O SER A 24 45.737 14.932 -4.776 1.00 0.00 O ATOM 387 CB SER A 24 46.856 12.362 -5.837 1.00 0.00 C ATOM 388 OG SER A 24 45.808 11.580 -5.280 1.00 0.00 O ATOM 0 H SER A 24 46.086 12.473 -3.307 1.00 0.00 H new ATOM 0 HA SER A 24 48.537 13.264 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 24 46.475 12.971 -6.656 1.00 0.00 H new ATOM 0 HB3 SER A 24 47.627 11.714 -6.254 1.00 0.00 H new ATOM 0 HG SER A 24 45.423 11.007 -5.975 1.00 0.00 H new ATOM 394 N GLY A 25 47.779 15.617 -5.207 1.00 0.00 N ATOM 395 CA GLY A 25 47.319 17.024 -5.380 1.00 0.00 C ATOM 396 C GLY A 25 47.944 17.616 -6.645 1.00 0.00 C ATOM 397 O GLY A 25 48.081 16.949 -7.651 1.00 0.00 O ATOM 0 H GLY A 25 48.780 15.468 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 25 46.232 17.056 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 25 47.600 17.619 -4.511 1.00 0.00 H new ATOM 401 N ALA A 26 48.324 18.864 -6.602 1.00 0.00 N ATOM 402 CA ALA A 26 48.940 19.497 -7.803 1.00 0.00 C ATOM 403 C ALA A 26 50.459 19.335 -7.741 1.00 0.00 C ATOM 404 O ALA A 26 51.147 19.454 -8.735 1.00 0.00 O ATOM 405 CB ALA A 26 48.586 20.986 -7.832 1.00 0.00 C ATOM 0 H ALA A 26 48.235 19.472 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 26 48.560 19.015 -8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 26 49.036 21.450 -8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 26 47.503 21.102 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 26 48.967 21.468 -6.932 1.00 0.00 H new ATOM 411 N THR A 27 50.988 19.063 -6.580 1.00 0.00 N ATOM 412 CA THR A 27 52.462 18.891 -6.454 1.00 0.00 C ATOM 413 C THR A 27 52.766 17.968 -5.272 1.00 0.00 C ATOM 414 O THR A 27 53.856 17.968 -4.735 1.00 0.00 O ATOM 415 CB THR A 27 53.116 20.255 -6.220 1.00 0.00 C ATOM 416 OG1 THR A 27 54.528 20.102 -6.183 1.00 0.00 O ATOM 417 CG2 THR A 27 52.627 20.835 -4.893 1.00 0.00 C ATOM 0 H THR A 27 50.463 18.952 -5.713 1.00 0.00 H new ATOM 0 HA THR A 27 52.858 18.452 -7.370 1.00 0.00 H new ATOM 0 HB THR A 27 52.846 20.932 -7.030 1.00 0.00 H new ATOM 0 HG1 THR A 27 54.755 19.278 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 27 53.093 21.806 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 27 51.544 20.953 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 27 52.895 20.160 -4.080 1.00 0.00 H new ATOM 425 N CYS A 28 51.809 17.180 -4.861 1.00 0.00 N ATOM 426 CA CYS A 28 52.043 16.258 -3.714 1.00 0.00 C ATOM 427 C CYS A 28 52.539 14.909 -4.238 1.00 0.00 C ATOM 428 O CYS A 28 51.763 14.022 -4.531 1.00 0.00 O ATOM 429 CB CYS A 28 50.735 16.057 -2.945 1.00 0.00 C ATOM 430 SG CYS A 28 49.826 17.621 -2.880 1.00 0.00 S ATOM 0 H CYS A 28 50.876 17.135 -5.270 1.00 0.00 H new ATOM 0 HA CYS A 28 52.792 16.688 -3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 28 50.129 15.292 -3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 28 50.945 15.704 -1.935 1.00 0.00 H new ATOM 0 HG CYS A 28 48.714 17.450 -2.229 1.00 0.00 H new ATOM 436 N GLY A 29 53.828 14.748 -4.357 1.00 0.00 N ATOM 437 CA GLY A 29 54.376 13.457 -4.860 1.00 0.00 C ATOM 438 C GLY A 29 55.426 12.933 -3.880 1.00 0.00 C ATOM 439 O GLY A 29 56.517 13.457 -3.786 1.00 0.00 O ATOM 0 H GLY A 29 54.526 15.455 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 29 53.573 12.728 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 29 54.821 13.598 -5.845 1.00 0.00 H new ATOM 443 N ARG A 30 55.105 11.902 -3.146 1.00 0.00 N ATOM 444 CA ARG A 30 56.086 11.347 -2.172 1.00 0.00 C ATOM 445 C ARG A 30 55.385 10.344 -1.254 1.00 0.00 C ATOM 446 O ARG A 30 55.499 10.410 -0.046 1.00 0.00 O ATOM 447 CB ARG A 30 56.674 12.484 -1.329 1.00 0.00 C ATOM 448 CG ARG A 30 55.555 13.425 -0.876 1.00 0.00 C ATOM 449 CD ARG A 30 55.026 12.975 0.486 1.00 0.00 C ATOM 450 NE ARG A 30 54.596 14.168 1.270 1.00 0.00 N ATOM 451 CZ ARG A 30 53.327 14.395 1.471 1.00 0.00 C ATOM 452 NH1 ARG A 30 52.486 14.336 0.475 1.00 0.00 N ATOM 453 NH2 ARG A 30 52.898 14.682 2.670 1.00 0.00 N ATOM 0 H ARG A 30 54.206 11.421 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 30 56.887 10.846 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 30 57.192 12.075 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 30 57.413 13.036 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 30 55.929 14.447 -0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 30 54.748 13.426 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 30 54.187 12.291 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 30 55.800 12.430 1.027 1.00 0.00 H new ATOM 0 HE ARG A 30 55.294 14.807 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 30 52.820 14.112 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 30 51.494 14.514 0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 30 53.555 14.729 3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 30 51.906 14.860 2.828 1.00 0.00 H new ATOM 467 N SER A 31 54.663 9.414 -1.816 1.00 0.00 N ATOM 468 CA SER A 31 53.959 8.409 -0.971 1.00 0.00 C ATOM 469 C SER A 31 54.968 7.743 -0.032 1.00 0.00 C ATOM 470 O SER A 31 56.129 7.597 -0.357 1.00 0.00 O ATOM 471 CB SER A 31 53.305 7.356 -1.873 1.00 0.00 C ATOM 472 OG SER A 31 53.878 6.080 -1.615 1.00 0.00 O ATOM 0 H SER A 31 54.530 9.307 -2.822 1.00 0.00 H new ATOM 0 HA SER A 31 53.187 8.899 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 31 52.230 7.326 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 31 53.445 7.623 -2.920 1.00 0.00 H new ATOM 0 HG SER A 31 53.457 5.409 -2.192 1.00 0.00 H new ATOM 478 N ASP A 32 54.536 7.339 1.132 1.00 0.00 N ATOM 479 CA ASP A 32 55.476 6.685 2.087 1.00 0.00 C ATOM 480 C ASP A 32 55.474 5.175 1.846 1.00 0.00 C ATOM 481 O ASP A 32 54.450 4.526 1.921 1.00 0.00 O ATOM 482 CB ASP A 32 55.033 6.977 3.523 1.00 0.00 C ATOM 483 CG ASP A 32 55.293 8.449 3.847 1.00 0.00 C ATOM 484 OD1 ASP A 32 56.387 8.753 4.294 1.00 0.00 O ATOM 485 OD2 ASP A 32 54.393 9.248 3.645 1.00 0.00 O ATOM 0 H ASP A 32 53.576 7.433 1.462 1.00 0.00 H new ATOM 0 HA ASP A 32 56.482 7.076 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 32 53.974 6.749 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 32 55.576 6.339 4.220 1.00 0.00 H new ATOM 490 N THR A 33 56.612 4.609 1.552 1.00 0.00 N ATOM 491 CA THR A 33 56.669 3.142 1.301 1.00 0.00 C ATOM 492 C THR A 33 57.270 2.436 2.516 1.00 0.00 C ATOM 493 O THR A 33 58.445 2.554 2.796 1.00 0.00 O ATOM 494 CB THR A 33 57.538 2.869 0.072 1.00 0.00 C ATOM 495 OG1 THR A 33 58.201 4.066 -0.312 1.00 0.00 O ATOM 496 CG2 THR A 33 56.657 2.379 -1.078 1.00 0.00 C ATOM 0 H THR A 33 57.504 5.098 1.475 1.00 0.00 H new ATOM 0 HA THR A 33 55.661 2.766 1.126 1.00 0.00 H new ATOM 0 HB THR A 33 58.278 2.105 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 33 58.822 4.337 0.396 1.00 0.00 H new ATOM 0 HG21 THR A 33 57.276 2.185 -1.954 1.00 0.00 H new ATOM 0 HG22 THR A 33 56.149 1.461 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 33 55.917 3.142 -1.320 1.00 0.00 H new ATOM 504 N TYR A 34 56.476 1.696 3.238 1.00 0.00 N ATOM 505 CA TYR A 34 57.008 0.981 4.431 1.00 0.00 C ATOM 506 C TYR A 34 57.122 -0.510 4.113 1.00 0.00 C ATOM 507 O TYR A 34 56.299 -1.071 3.418 1.00 0.00 O ATOM 508 CB TYR A 34 56.059 1.186 5.616 1.00 0.00 C ATOM 509 CG TYR A 34 56.003 2.654 5.987 1.00 0.00 C ATOM 510 CD1 TYR A 34 56.954 3.552 5.480 1.00 0.00 C ATOM 511 CD2 TYR A 34 54.995 3.117 6.843 1.00 0.00 C ATOM 512 CE1 TYR A 34 56.896 4.906 5.829 1.00 0.00 C ATOM 513 CE2 TYR A 34 54.938 4.473 7.191 1.00 0.00 C ATOM 514 CZ TYR A 34 55.888 5.367 6.684 1.00 0.00 C ATOM 515 OH TYR A 34 55.832 6.702 7.026 1.00 0.00 O ATOM 0 H TYR A 34 55.483 1.555 3.054 1.00 0.00 H new ATOM 0 HA TYR A 34 57.991 1.375 4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 34 55.062 0.829 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 34 56.398 0.599 6.470 1.00 0.00 H new ATOM 0 HD1 TYR A 34 57.732 3.198 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 34 54.261 2.428 7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 34 57.629 5.596 5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 34 54.160 4.829 7.851 1.00 0.00 H new ATOM 0 HH TYR A 34 55.072 6.855 7.625 1.00 0.00 H new ATOM 525 N TYR A 35 58.141 -1.157 4.609 1.00 0.00 N ATOM 526 CA TYR A 35 58.306 -2.609 4.321 1.00 0.00 C ATOM 527 C TYR A 35 58.346 -3.397 5.632 1.00 0.00 C ATOM 528 O TYR A 35 58.668 -2.870 6.678 1.00 0.00 O ATOM 529 CB TYR A 35 59.609 -2.823 3.551 1.00 0.00 C ATOM 530 CG TYR A 35 59.724 -1.767 2.481 1.00 0.00 C ATOM 531 CD1 TYR A 35 58.596 -1.407 1.738 1.00 0.00 C ATOM 532 CD2 TYR A 35 60.953 -1.143 2.236 1.00 0.00 C ATOM 533 CE1 TYR A 35 58.693 -0.422 0.749 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.051 -0.159 1.245 1.00 0.00 C ATOM 535 CZ TYR A 35 59.921 0.202 0.502 1.00 0.00 C ATOM 536 OH TYR A 35 60.017 1.174 -0.471 1.00 0.00 O ATOM 0 H TYR A 35 58.864 -0.745 5.199 1.00 0.00 H new ATOM 0 HA TYR A 35 57.465 -2.959 3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 35 60.461 -2.767 4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 35 59.623 -3.817 3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 35 57.649 -1.890 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.824 -1.420 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 35 57.821 -0.143 0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.999 0.322 1.054 1.00 0.00 H new ATOM 0 HH TYR A 35 60.650 0.885 -1.161 1.00 0.00 H new ATOM 546 N GLN A 36 58.021 -4.660 5.579 1.00 0.00 N ATOM 547 CA GLN A 36 58.038 -5.491 6.816 1.00 0.00 C ATOM 548 C GLN A 36 58.815 -6.781 6.544 1.00 0.00 C ATOM 549 O GLN A 36 58.478 -7.547 5.663 1.00 0.00 O ATOM 550 CB GLN A 36 56.600 -5.829 7.216 1.00 0.00 C ATOM 551 CG GLN A 36 56.607 -6.766 8.426 1.00 0.00 C ATOM 552 CD GLN A 36 55.190 -6.877 8.992 1.00 0.00 C ATOM 553 OE1 GLN A 36 54.475 -5.897 9.068 1.00 0.00 O ATOM 554 NE2 GLN A 36 54.748 -8.038 9.393 1.00 0.00 N ATOM 0 H GLN A 36 57.744 -5.153 4.730 1.00 0.00 H new ATOM 0 HA GLN A 36 58.519 -4.942 7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 36 56.055 -4.916 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 36 56.082 -6.301 6.381 1.00 0.00 H new ATOM 0 HG2 GLN A 36 56.972 -7.751 8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 36 57.287 -6.387 9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 36 55.347 -8.861 9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 36 53.804 -8.122 9.769 1.00 0.00 H new ATOM 563 N SER A 37 59.858 -7.027 7.291 1.00 0.00 N ATOM 564 CA SER A 37 60.658 -8.266 7.069 1.00 0.00 C ATOM 565 C SER A 37 59.914 -9.473 7.648 1.00 0.00 C ATOM 566 O SER A 37 58.914 -9.319 8.319 1.00 0.00 O ATOM 567 CB SER A 37 62.016 -8.125 7.758 1.00 0.00 C ATOM 568 OG SER A 37 62.240 -6.759 8.081 1.00 0.00 O ATOM 0 H SER A 37 60.190 -6.425 8.044 1.00 0.00 H new ATOM 0 HA SER A 37 60.805 -8.414 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.043 -8.733 8.662 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.808 -8.491 7.104 1.00 0.00 H new ATOM 0 HG SER A 37 62.592 -6.291 7.296 1.00 0.00 H new ATOM 574 N PRO A 38 60.431 -10.642 7.365 1.00 0.00 N ATOM 575 CA PRO A 38 59.845 -11.909 7.840 1.00 0.00 C ATOM 576 C PRO A 38 60.205 -12.147 9.311 1.00 0.00 C ATOM 577 O PRO A 38 59.753 -13.093 9.925 1.00 0.00 O ATOM 578 CB PRO A 38 60.494 -12.964 6.939 1.00 0.00 C ATOM 579 CG PRO A 38 61.804 -12.336 6.406 1.00 0.00 C ATOM 580 CD PRO A 38 61.650 -10.810 6.546 1.00 0.00 C ATOM 0 HA PRO A 38 58.756 -11.925 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 38 60.700 -13.878 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 38 59.831 -13.235 6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 38 62.663 -12.692 6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 38 61.972 -12.615 5.366 1.00 0.00 H new ATOM 0 HD2 PRO A 38 62.519 -10.365 7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 61.546 -10.329 5.573 1.00 0.00 H new ATOM 588 N THR A 39 61.013 -11.295 9.880 1.00 0.00 N ATOM 589 CA THR A 39 61.397 -11.473 11.309 1.00 0.00 C ATOM 590 C THR A 39 60.559 -10.536 12.179 1.00 0.00 C ATOM 591 O THR A 39 60.524 -10.659 13.387 1.00 0.00 O ATOM 592 CB THR A 39 62.881 -11.144 11.487 1.00 0.00 C ATOM 593 OG1 THR A 39 63.271 -11.438 12.824 1.00 0.00 O ATOM 594 CG2 THR A 39 63.115 -9.660 11.191 1.00 0.00 C ATOM 0 H THR A 39 61.424 -10.484 9.418 1.00 0.00 H new ATOM 0 HA THR A 39 61.218 -12.506 11.607 1.00 0.00 H new ATOM 0 HB THR A 39 63.475 -11.744 10.798 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.481 -11.436 13.403 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.172 -9.426 11.318 1.00 0.00 H new ATOM 0 HG22 THR A 39 62.816 -9.442 10.166 1.00 0.00 H new ATOM 0 HG23 THR A 39 62.524 -9.054 11.878 1.00 0.00 H new ATOM 602 N GLY A 40 59.882 -9.598 11.574 1.00 0.00 N ATOM 603 CA GLY A 40 59.046 -8.653 12.367 1.00 0.00 C ATOM 604 C GLY A 40 59.732 -7.287 12.422 1.00 0.00 C ATOM 605 O GLY A 40 59.425 -6.461 13.258 1.00 0.00 O ATOM 0 H GLY A 40 59.872 -9.446 10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 40 58.058 -8.558 11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 40 58.900 -9.039 13.376 1.00 0.00 H new ATOM 609 N ASP A 41 60.660 -7.043 11.537 1.00 0.00 N ATOM 610 CA ASP A 41 61.365 -5.730 11.540 1.00 0.00 C ATOM 611 C ASP A 41 60.694 -4.792 10.535 1.00 0.00 C ATOM 612 O ASP A 41 60.750 -5.004 9.340 1.00 0.00 O ATOM 613 CB ASP A 41 62.829 -5.936 11.148 1.00 0.00 C ATOM 614 CG ASP A 41 63.728 -5.143 12.099 1.00 0.00 C ATOM 615 OD1 ASP A 41 63.733 -5.458 13.277 1.00 0.00 O ATOM 616 OD2 ASP A 41 64.395 -4.235 11.632 1.00 0.00 O ATOM 0 H ASP A 41 60.960 -7.696 10.813 1.00 0.00 H new ATOM 0 HA ASP A 41 61.315 -5.292 12.537 1.00 0.00 H new ATOM 0 HB2 ASP A 41 63.082 -6.995 11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 41 62.991 -5.610 10.121 1.00 0.00 H new ATOM 621 N ARG A 42 60.058 -3.756 11.008 1.00 0.00 N ATOM 622 CA ARG A 42 59.384 -2.808 10.078 1.00 0.00 C ATOM 623 C ARG A 42 60.279 -1.587 9.856 1.00 0.00 C ATOM 624 O ARG A 42 60.631 -0.888 10.785 1.00 0.00 O ATOM 625 CB ARG A 42 58.052 -2.361 10.685 1.00 0.00 C ATOM 626 CG ARG A 42 56.894 -2.925 9.857 1.00 0.00 C ATOM 627 CD ARG A 42 55.900 -3.628 10.784 1.00 0.00 C ATOM 628 NE ARG A 42 55.085 -2.609 11.503 1.00 0.00 N ATOM 629 CZ ARG A 42 54.404 -2.947 12.564 1.00 0.00 C ATOM 630 NH1 ARG A 42 53.794 -4.100 12.609 1.00 0.00 N ATOM 631 NH2 ARG A 42 54.334 -2.132 13.581 1.00 0.00 N ATOM 0 H ARG A 42 59.976 -3.525 11.998 1.00 0.00 H new ATOM 0 HA ARG A 42 59.202 -3.302 9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 57.977 -2.706 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 42 57.999 -1.273 10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 42 56.396 -2.122 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 42 57.272 -3.626 9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 42 55.251 -4.287 10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 42 56.434 -4.253 11.500 1.00 0.00 H new ATOM 0 HE ARG A 42 55.059 -1.647 11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.849 -4.738 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.262 -4.363 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.811 -1.231 13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.802 -2.396 14.410 1.00 0.00 H new ATOM 645 N ILE A 43 60.649 -1.324 8.633 1.00 0.00 N ATOM 646 CA ILE A 43 61.520 -0.148 8.356 1.00 0.00 C ATOM 647 C ILE A 43 60.783 0.827 7.436 1.00 0.00 C ATOM 648 O ILE A 43 59.753 0.508 6.875 1.00 0.00 O ATOM 649 CB ILE A 43 62.809 -0.612 7.679 1.00 0.00 C ATOM 650 CG1 ILE A 43 63.437 -1.738 8.503 1.00 0.00 C ATOM 651 CG2 ILE A 43 63.789 0.558 7.588 1.00 0.00 C ATOM 652 CD1 ILE A 43 63.468 -3.019 7.670 1.00 0.00 C ATOM 0 H ILE A 43 60.386 -1.872 7.814 1.00 0.00 H new ATOM 0 HA ILE A 43 61.764 0.350 9.294 1.00 0.00 H new ATOM 0 HB ILE A 43 62.583 -0.974 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 43 64.448 -1.463 8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 43 62.864 -1.899 9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 43 64.708 0.226 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 43 63.342 1.362 7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 43 64.017 0.921 8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 43 63.915 -3.823 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 43 62.452 -3.296 7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 43 64.060 -2.853 6.770 1.00 0.00 H new ATOM 664 N ARG A 44 61.298 2.015 7.284 1.00 0.00 N ATOM 665 CA ARG A 44 60.622 3.015 6.406 1.00 0.00 C ATOM 666 C ARG A 44 61.650 4.012 5.867 1.00 0.00 C ATOM 667 O ARG A 44 61.304 5.055 5.349 1.00 0.00 O ATOM 668 CB ARG A 44 59.564 3.767 7.214 1.00 0.00 C ATOM 669 CG ARG A 44 60.005 3.837 8.674 1.00 0.00 C ATOM 670 CD ARG A 44 59.041 4.725 9.462 1.00 0.00 C ATOM 671 NE ARG A 44 59.800 5.836 10.101 1.00 0.00 N ATOM 672 CZ ARG A 44 59.176 6.718 10.832 1.00 0.00 C ATOM 673 NH1 ARG A 44 58.236 7.456 10.306 1.00 0.00 N ATOM 674 NH2 ARG A 44 59.491 6.864 12.090 1.00 0.00 N ATOM 0 H ARG A 44 62.157 2.338 7.729 1.00 0.00 H new ATOM 0 HA ARG A 44 60.149 2.498 5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 44 59.429 4.772 6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 44 58.602 3.261 7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 44 60.028 2.836 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 44 61.017 4.235 8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 44 58.276 5.128 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 44 58.527 4.137 10.222 1.00 0.00 H new ATOM 0 HE ARG A 44 60.809 5.907 9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 44 57.989 7.343 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 44 57.749 8.145 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 44 60.225 6.288 12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 44 59.003 7.554 12.661 1.00 0.00 H new ATOM 688 N SER A 45 62.911 3.700 5.972 1.00 0.00 N ATOM 689 CA SER A 45 63.951 4.627 5.451 1.00 0.00 C ATOM 690 C SER A 45 64.335 4.180 4.043 1.00 0.00 C ATOM 691 O SER A 45 63.880 4.731 3.063 1.00 0.00 O ATOM 692 CB SER A 45 65.181 4.577 6.359 1.00 0.00 C ATOM 693 OG SER A 45 66.296 5.128 5.670 1.00 0.00 O ATOM 0 H SER A 45 63.266 2.843 6.396 1.00 0.00 H new ATOM 0 HA SER A 45 63.568 5.647 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 45 64.993 5.135 7.276 1.00 0.00 H new ATOM 0 HB3 SER A 45 65.391 3.548 6.650 1.00 0.00 H new ATOM 0 HG SER A 45 67.086 5.099 6.250 1.00 0.00 H new ATOM 699 N LYS A 46 65.160 3.172 3.955 1.00 0.00 N ATOM 700 CA LYS A 46 65.599 2.636 2.634 1.00 0.00 C ATOM 701 C LYS A 46 66.964 1.990 2.821 1.00 0.00 C ATOM 702 O LYS A 46 67.132 0.803 2.636 1.00 0.00 O ATOM 703 CB LYS A 46 65.708 3.761 1.596 1.00 0.00 C ATOM 704 CG LYS A 46 66.447 3.246 0.360 1.00 0.00 C ATOM 705 CD LYS A 46 66.651 4.396 -0.630 1.00 0.00 C ATOM 706 CE LYS A 46 67.523 5.476 0.012 1.00 0.00 C ATOM 707 NZ LYS A 46 66.680 6.656 0.355 1.00 0.00 N ATOM 0 H LYS A 46 65.556 2.687 4.760 1.00 0.00 H new ATOM 0 HA LYS A 46 64.868 1.912 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 46 64.714 4.112 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 46 66.239 4.613 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 67.410 2.825 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 46 65.877 2.445 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 46 67.123 4.026 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.688 4.816 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.003 5.085 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.319 5.771 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 67.193 7.267 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 66.464 7.192 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 65.793 6.334 0.793 1.00 0.00 H new ATOM 721 N VAL A 47 67.935 2.762 3.214 1.00 0.00 N ATOM 722 CA VAL A 47 69.285 2.188 3.445 1.00 0.00 C ATOM 723 C VAL A 47 69.306 1.582 4.844 1.00 0.00 C ATOM 724 O VAL A 47 70.065 0.680 5.134 1.00 0.00 O ATOM 725 CB VAL A 47 70.341 3.287 3.337 1.00 0.00 C ATOM 726 CG1 VAL A 47 71.684 2.763 3.849 1.00 0.00 C ATOM 727 CG2 VAL A 47 70.483 3.709 1.871 1.00 0.00 C ATOM 0 H VAL A 47 67.852 3.764 3.385 1.00 0.00 H new ATOM 0 HA VAL A 47 69.505 1.424 2.699 1.00 0.00 H new ATOM 0 HB VAL A 47 70.037 4.144 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 47 72.435 3.549 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 47 71.583 2.460 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 47 71.992 1.906 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 47 71.236 4.493 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 47 70.788 2.850 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 47 69.527 4.084 1.506 1.00 0.00 H new ATOM 737 N GLU A 48 68.455 2.063 5.711 1.00 0.00 N ATOM 738 CA GLU A 48 68.401 1.508 7.088 1.00 0.00 C ATOM 739 C GLU A 48 67.946 0.054 7.004 1.00 0.00 C ATOM 740 O GLU A 48 68.550 -0.830 7.581 1.00 0.00 O ATOM 741 CB GLU A 48 67.406 2.307 7.930 1.00 0.00 C ATOM 742 CG GLU A 48 67.553 1.914 9.401 1.00 0.00 C ATOM 743 CD GLU A 48 66.361 2.449 10.195 1.00 0.00 C ATOM 744 OE1 GLU A 48 66.372 3.624 10.523 1.00 0.00 O ATOM 745 OE2 GLU A 48 65.457 1.675 10.463 1.00 0.00 O ATOM 0 H GLU A 48 67.795 2.818 5.521 1.00 0.00 H new ATOM 0 HA GLU A 48 69.385 1.569 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 48 67.585 3.375 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 48 66.388 2.114 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 48 67.608 0.829 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.482 2.316 9.805 1.00 0.00 H new ATOM 752 N LEU A 49 66.896 -0.207 6.272 1.00 0.00 N ATOM 753 CA LEU A 49 66.428 -1.611 6.139 1.00 0.00 C ATOM 754 C LEU A 49 67.467 -2.378 5.325 1.00 0.00 C ATOM 755 O LEU A 49 67.679 -3.559 5.515 1.00 0.00 O ATOM 756 CB LEU A 49 65.073 -1.642 5.430 1.00 0.00 C ATOM 757 CG LEU A 49 65.216 -1.093 4.013 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.248 -2.256 3.019 1.00 0.00 C ATOM 759 CD2 LEU A 49 64.021 -0.187 3.705 1.00 0.00 C ATOM 0 H LEU A 49 66.348 0.488 5.765 1.00 0.00 H new ATOM 0 HA LEU A 49 66.309 -2.068 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 49 64.693 -2.663 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 49 64.347 -1.050 5.987 1.00 0.00 H new ATOM 0 HG LEU A 49 66.140 -0.521 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.350 -1.866 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.094 -2.905 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.323 -2.827 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.116 0.209 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.098 -0.762 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 49 63.997 0.638 4.417 1.00 0.00 H new ATOM 771 N THR A 50 68.133 -1.701 4.429 1.00 0.00 N ATOM 772 CA THR A 50 69.181 -2.370 3.612 1.00 0.00 C ATOM 773 C THR A 50 70.270 -2.891 4.546 1.00 0.00 C ATOM 774 O THR A 50 70.443 -4.082 4.716 1.00 0.00 O ATOM 775 CB THR A 50 69.791 -1.360 2.641 1.00 0.00 C ATOM 776 OG1 THR A 50 68.753 -0.699 1.936 1.00 0.00 O ATOM 777 CG2 THR A 50 70.706 -2.081 1.652 1.00 0.00 C ATOM 0 H THR A 50 67.995 -0.711 4.228 1.00 0.00 H new ATOM 0 HA THR A 50 68.744 -3.194 3.049 1.00 0.00 H new ATOM 0 HB THR A 50 70.375 -0.628 3.199 1.00 0.00 H new ATOM 0 HG1 THR A 50 68.191 -0.205 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 50 71.138 -1.357 0.962 1.00 0.00 H new ATOM 0 HG22 THR A 50 71.505 -2.585 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 50 70.129 -2.816 1.092 1.00 0.00 H new ATOM 785 N ARG A 51 71.003 -2.002 5.163 1.00 0.00 N ATOM 786 CA ARG A 51 72.074 -2.443 6.097 1.00 0.00 C ATOM 787 C ARG A 51 71.508 -3.514 7.031 1.00 0.00 C ATOM 788 O ARG A 51 72.207 -4.409 7.463 1.00 0.00 O ATOM 789 CB ARG A 51 72.576 -1.250 6.922 1.00 0.00 C ATOM 790 CG ARG A 51 71.455 -0.218 7.100 1.00 0.00 C ATOM 791 CD ARG A 51 71.374 0.199 8.570 1.00 0.00 C ATOM 792 NE ARG A 51 71.871 1.597 8.718 1.00 0.00 N ATOM 793 CZ ARG A 51 72.364 1.994 9.859 1.00 0.00 C ATOM 794 NH1 ARG A 51 71.723 1.746 10.968 1.00 0.00 N ATOM 795 NH2 ARG A 51 73.499 2.640 9.889 1.00 0.00 N ATOM 0 H ARG A 51 70.905 -0.992 5.059 1.00 0.00 H new ATOM 0 HA ARG A 51 72.909 -2.852 5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 51 72.922 -1.593 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 51 73.429 -0.788 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 51 71.646 0.653 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 51 70.503 -0.640 6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 51 70.345 0.128 8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 51 71.969 -0.477 9.184 1.00 0.00 H new ATOM 0 HE ARG A 51 71.826 2.242 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 51 70.837 1.242 10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 51 72.108 2.056 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 51 73.999 2.834 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 51 73.885 2.951 10.780 1.00 0.00 H new ATOM 809 N TYR A 52 70.240 -3.436 7.336 1.00 0.00 N ATOM 810 CA TYR A 52 69.625 -4.455 8.230 1.00 0.00 C ATOM 811 C TYR A 52 69.670 -5.818 7.535 1.00 0.00 C ATOM 812 O TYR A 52 70.304 -6.743 8.003 1.00 0.00 O ATOM 813 CB TYR A 52 68.171 -4.068 8.519 1.00 0.00 C ATOM 814 CG TYR A 52 67.441 -5.242 9.126 1.00 0.00 C ATOM 815 CD1 TYR A 52 68.133 -6.154 9.930 1.00 0.00 C ATOM 816 CD2 TYR A 52 66.073 -5.418 8.884 1.00 0.00 C ATOM 817 CE1 TYR A 52 67.458 -7.243 10.494 1.00 0.00 C ATOM 818 CE2 TYR A 52 65.397 -6.507 9.448 1.00 0.00 C ATOM 819 CZ TYR A 52 66.090 -7.419 10.253 1.00 0.00 C ATOM 820 OH TYR A 52 65.425 -8.492 10.810 1.00 0.00 O ATOM 0 H TYR A 52 69.605 -2.710 7.004 1.00 0.00 H new ATOM 0 HA TYR A 52 70.175 -4.506 9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 52 68.140 -3.217 9.200 1.00 0.00 H new ATOM 0 HB3 TYR A 52 67.678 -3.758 7.598 1.00 0.00 H new ATOM 0 HD1 TYR A 52 69.188 -6.018 10.116 1.00 0.00 H new ATOM 0 HD2 TYR A 52 65.539 -4.714 8.263 1.00 0.00 H new ATOM 0 HE1 TYR A 52 67.992 -7.947 11.115 1.00 0.00 H new ATOM 0 HE2 TYR A 52 64.342 -6.643 9.262 1.00 0.00 H new ATOM 0 HH TYR A 52 65.647 -9.308 10.314 1.00 0.00 H new ATOM 830 N LEU A 53 69.007 -5.947 6.417 1.00 0.00 N ATOM 831 CA LEU A 53 69.020 -7.247 5.688 1.00 0.00 C ATOM 832 C LEU A 53 70.465 -7.724 5.534 1.00 0.00 C ATOM 833 O LEU A 53 70.801 -8.843 5.865 1.00 0.00 O ATOM 834 CB LEU A 53 68.404 -7.065 4.298 1.00 0.00 C ATOM 835 CG LEU A 53 67.066 -6.337 4.413 1.00 0.00 C ATOM 836 CD1 LEU A 53 67.037 -5.168 3.427 1.00 0.00 C ATOM 837 CD2 LEU A 53 65.932 -7.307 4.079 1.00 0.00 C ATOM 0 H LEU A 53 68.457 -5.208 5.978 1.00 0.00 H new ATOM 0 HA LEU A 53 68.443 -7.981 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.083 -6.498 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 53 68.260 -8.036 3.825 1.00 0.00 H new ATOM 0 HG LEU A 53 66.941 -5.962 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 53 66.083 -4.647 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 53 67.848 -4.477 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 53 67.160 -5.545 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 53 64.976 -6.790 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 53 66.059 -7.678 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 53 65.952 -8.144 4.776 1.00 0.00 H new ATOM 849 N GLY A 54 71.319 -6.879 5.025 1.00 0.00 N ATOM 850 CA GLY A 54 72.742 -7.275 4.836 1.00 0.00 C ATOM 851 C GLY A 54 73.128 -7.075 3.369 1.00 0.00 C ATOM 852 O GLY A 54 72.576 -6.225 2.697 1.00 0.00 O ATOM 0 H GLY A 54 71.091 -5.929 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 54 73.387 -6.677 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 54 72.883 -8.317 5.123 1.00 0.00 H new ATOM 856 N PRO A 55 74.062 -7.869 2.915 1.00 0.00 N ATOM 857 CA PRO A 55 74.545 -7.811 1.525 1.00 0.00 C ATOM 858 C PRO A 55 73.542 -8.490 0.589 1.00 0.00 C ATOM 859 O PRO A 55 73.616 -8.359 -0.616 1.00 0.00 O ATOM 860 CB PRO A 55 75.865 -8.585 1.572 1.00 0.00 C ATOM 861 CG PRO A 55 75.787 -9.506 2.813 1.00 0.00 C ATOM 862 CD PRO A 55 74.722 -8.900 3.744 1.00 0.00 C ATOM 0 HA PRO A 55 74.669 -6.795 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 55 76.005 -9.170 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.712 -7.904 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 55 75.517 -10.522 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.753 -9.563 3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 55 74.012 -9.655 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 55 75.173 -8.465 4.636 1.00 0.00 H new ATOM 870 N ALA A 56 72.602 -9.211 1.137 1.00 0.00 N ATOM 871 CA ALA A 56 71.593 -9.892 0.279 1.00 0.00 C ATOM 872 C ALA A 56 70.591 -8.860 -0.242 1.00 0.00 C ATOM 873 O ALA A 56 69.704 -9.174 -1.011 1.00 0.00 O ATOM 874 CB ALA A 56 70.854 -10.951 1.100 1.00 0.00 C ATOM 0 H ALA A 56 72.490 -9.357 2.140 1.00 0.00 H new ATOM 0 HA ALA A 56 72.094 -10.371 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.116 -11.449 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 56 71.568 -11.686 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 56 70.351 -10.474 1.941 1.00 0.00 H new ATOM 880 N CYS A 57 70.723 -7.628 0.172 1.00 0.00 N ATOM 881 CA CYS A 57 69.778 -6.577 -0.297 1.00 0.00 C ATOM 882 C CYS A 57 70.561 -5.318 -0.675 1.00 0.00 C ATOM 883 O CYS A 57 71.775 -5.295 -0.637 1.00 0.00 O ATOM 884 CB CYS A 57 68.792 -6.244 0.823 1.00 0.00 C ATOM 885 SG CYS A 57 67.961 -7.758 1.363 1.00 0.00 S ATOM 0 H CYS A 57 71.446 -7.305 0.815 1.00 0.00 H new ATOM 0 HA CYS A 57 69.233 -6.941 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 57 69.318 -5.786 1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.058 -5.519 0.472 1.00 0.00 H new ATOM 0 HG CYS A 57 66.715 -7.724 0.995 1.00 0.00 H new ATOM 891 N ASP A 58 69.874 -4.271 -1.036 1.00 0.00 N ATOM 892 CA ASP A 58 70.573 -3.012 -1.414 1.00 0.00 C ATOM 893 C ASP A 58 69.531 -1.964 -1.808 1.00 0.00 C ATOM 894 O ASP A 58 68.527 -2.274 -2.417 1.00 0.00 O ATOM 895 CB ASP A 58 71.510 -3.281 -2.594 1.00 0.00 C ATOM 896 CG ASP A 58 72.413 -2.066 -2.817 1.00 0.00 C ATOM 897 OD1 ASP A 58 71.922 -1.074 -3.329 1.00 0.00 O ATOM 898 OD2 ASP A 58 73.580 -2.149 -2.471 1.00 0.00 O ATOM 0 H ASP A 58 68.856 -4.233 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 58 71.159 -2.646 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 58 72.115 -4.166 -2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 58 70.929 -3.486 -3.494 1.00 0.00 H new ATOM 903 N LEU A 59 69.753 -0.726 -1.458 1.00 0.00 N ATOM 904 CA LEU A 59 68.763 0.329 -1.808 1.00 0.00 C ATOM 905 C LEU A 59 69.472 1.675 -1.928 1.00 0.00 C ATOM 906 O LEU A 59 68.850 2.718 -1.906 1.00 0.00 O ATOM 907 CB LEU A 59 67.708 0.412 -0.706 1.00 0.00 C ATOM 908 CG LEU A 59 66.762 -0.780 -0.820 1.00 0.00 C ATOM 909 CD1 LEU A 59 67.299 -1.942 0.018 1.00 0.00 C ATOM 910 CD2 LEU A 59 65.379 -0.377 -0.308 1.00 0.00 C ATOM 0 H LEU A 59 70.574 -0.402 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 59 68.288 0.083 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 59 68.188 0.417 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 59 67.149 1.344 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 59 66.690 -1.091 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.623 -2.793 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 59 68.286 -2.227 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 59 67.371 -1.635 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 59 64.700 -1.226 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 65.453 -0.068 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.997 0.451 -0.905 1.00 0.00 H new ATOM 922 N THR A 60 70.767 1.661 -2.054 1.00 0.00 N ATOM 923 CA THR A 60 71.512 2.940 -2.174 1.00 0.00 C ATOM 924 C THR A 60 70.783 3.863 -3.151 1.00 0.00 C ATOM 925 O THR A 60 70.683 5.055 -2.939 1.00 0.00 O ATOM 926 CB THR A 60 72.920 2.656 -2.693 1.00 0.00 C ATOM 927 OG1 THR A 60 73.561 1.720 -1.837 1.00 0.00 O ATOM 928 CG2 THR A 60 73.717 3.956 -2.720 1.00 0.00 C ATOM 0 H THR A 60 71.341 0.819 -2.079 1.00 0.00 H new ATOM 0 HA THR A 60 71.573 3.422 -1.198 1.00 0.00 H new ATOM 0 HB THR A 60 72.864 2.242 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 60 74.464 1.536 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 60 74.723 3.758 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 60 73.223 4.672 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 60 73.775 4.368 -1.713 1.00 0.00 H new ATOM 936 N LEU A 61 70.277 3.319 -4.222 1.00 0.00 N ATOM 937 CA LEU A 61 69.557 4.157 -5.219 1.00 0.00 C ATOM 938 C LEU A 61 68.071 3.805 -5.209 1.00 0.00 C ATOM 939 O LEU A 61 67.265 4.461 -5.839 1.00 0.00 O ATOM 940 CB LEU A 61 70.128 3.876 -6.610 1.00 0.00 C ATOM 941 CG LEU A 61 71.441 4.643 -6.802 1.00 0.00 C ATOM 942 CD1 LEU A 61 71.126 6.084 -7.204 1.00 0.00 C ATOM 943 CD2 LEU A 61 72.251 4.643 -5.498 1.00 0.00 C ATOM 0 H LEU A 61 70.332 2.326 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 61 69.682 5.210 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 61 70.301 2.807 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 61 69.409 4.172 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 61 72.028 4.158 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 61 72.056 6.635 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 61 70.561 6.086 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 61 70.536 6.559 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 61 73.181 5.191 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 61 71.671 5.122 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 61 72.477 3.616 -5.210 1.00 0.00 H new ATOM 955 N PHE A 62 67.701 2.771 -4.511 1.00 0.00 N ATOM 956 CA PHE A 62 66.267 2.378 -4.480 1.00 0.00 C ATOM 957 C PHE A 62 65.404 3.592 -4.140 1.00 0.00 C ATOM 958 O PHE A 62 65.736 4.384 -3.280 1.00 0.00 O ATOM 959 CB PHE A 62 66.047 1.289 -3.431 1.00 0.00 C ATOM 960 CG PHE A 62 64.566 1.032 -3.283 1.00 0.00 C ATOM 961 CD1 PHE A 62 63.897 0.221 -4.209 1.00 0.00 C ATOM 962 CD2 PHE A 62 63.860 1.608 -2.221 1.00 0.00 C ATOM 963 CE1 PHE A 62 62.523 -0.011 -4.073 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.487 1.376 -2.084 1.00 0.00 C ATOM 965 CZ PHE A 62 61.818 0.566 -3.010 1.00 0.00 C ATOM 0 H PHE A 62 68.327 2.182 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 62 65.985 1.996 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 62 66.559 0.374 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 62 66.472 1.597 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 62 64.441 -0.225 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 62 64.375 2.232 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 62 62.007 -0.635 -4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 62 61.943 1.822 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 62 60.758 0.386 -2.904 1.00 0.00 H new ATOM 975 N ASP A 63 64.293 3.738 -4.807 1.00 0.00 N ATOM 976 CA ASP A 63 63.400 4.894 -4.524 1.00 0.00 C ATOM 977 C ASP A 63 62.410 4.506 -3.427 1.00 0.00 C ATOM 978 O ASP A 63 61.564 3.654 -3.615 1.00 0.00 O ATOM 979 CB ASP A 63 62.632 5.271 -5.793 1.00 0.00 C ATOM 980 CG ASP A 63 62.292 6.762 -5.759 1.00 0.00 C ATOM 981 OD1 ASP A 63 61.628 7.175 -4.823 1.00 0.00 O ATOM 982 OD2 ASP A 63 62.702 7.465 -6.668 1.00 0.00 O ATOM 0 H ASP A 63 63.965 3.105 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 63 63.997 5.746 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 63.231 5.044 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 63 61.719 4.680 -5.867 1.00 0.00 H new ATOM 987 N PHE A 64 62.508 5.117 -2.279 1.00 0.00 N ATOM 988 CA PHE A 64 61.569 4.770 -1.177 1.00 0.00 C ATOM 989 C PHE A 64 60.177 5.314 -1.495 1.00 0.00 C ATOM 990 O PHE A 64 59.652 6.160 -0.798 1.00 0.00 O ATOM 991 CB PHE A 64 62.068 5.370 0.137 1.00 0.00 C ATOM 992 CG PHE A 64 61.840 4.374 1.246 1.00 0.00 C ATOM 993 CD1 PHE A 64 62.572 3.182 1.273 1.00 0.00 C ATOM 994 CD2 PHE A 64 60.892 4.635 2.241 1.00 0.00 C ATOM 995 CE1 PHE A 64 62.358 2.253 2.295 1.00 0.00 C ATOM 996 CE2 PHE A 64 60.677 3.704 3.263 1.00 0.00 C ATOM 997 CZ PHE A 64 61.410 2.513 3.290 1.00 0.00 C ATOM 0 H PHE A 64 63.194 5.838 -2.057 1.00 0.00 H new ATOM 0 HA PHE A 64 61.518 3.686 -1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 64 63.128 5.614 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 64 61.541 6.300 0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 64 63.303 2.980 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 64 60.326 5.555 2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 64 62.925 1.334 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 64 59.945 3.905 4.031 1.00 0.00 H new ATOM 0 HZ PHE A 64 61.244 1.794 4.079 1.00 0.00 H new ATOM 1007 N LYS A 65 59.573 4.827 -2.544 1.00 0.00 N ATOM 1008 CA LYS A 65 58.210 5.301 -2.915 1.00 0.00 C ATOM 1009 C LYS A 65 57.874 4.805 -4.323 1.00 0.00 C ATOM 1010 O LYS A 65 56.748 4.454 -4.615 1.00 0.00 O ATOM 1011 CB LYS A 65 58.160 6.831 -2.877 1.00 0.00 C ATOM 1012 CG LYS A 65 59.398 7.409 -3.564 1.00 0.00 C ATOM 1013 CD LYS A 65 59.311 8.937 -3.565 1.00 0.00 C ATOM 1014 CE LYS A 65 58.729 9.418 -4.896 1.00 0.00 C ATOM 1015 NZ LYS A 65 57.243 9.467 -4.799 1.00 0.00 N ATOM 0 H LYS A 65 59.967 4.118 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 65 57.482 4.909 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 65 57.258 7.187 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 65 58.112 7.177 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 65 60.300 7.085 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 65 59.468 7.037 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 65 58.685 9.276 -2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 65 60.301 9.368 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 65 59.121 10.405 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 65 59.030 8.747 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 56.828 8.833 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 56.947 9.163 -3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 56.916 10.439 -4.969 1.00 0.00 H new ATOM 1029 N GLN A 66 58.843 4.761 -5.197 1.00 0.00 N ATOM 1030 CA GLN A 66 58.577 4.274 -6.580 1.00 0.00 C ATOM 1031 C GLN A 66 58.649 2.746 -6.591 1.00 0.00 C ATOM 1032 O GLN A 66 57.843 2.080 -7.210 1.00 0.00 O ATOM 1033 CB GLN A 66 59.627 4.842 -7.538 1.00 0.00 C ATOM 1034 CG GLN A 66 58.962 5.193 -8.872 1.00 0.00 C ATOM 1035 CD GLN A 66 60.033 5.346 -9.954 1.00 0.00 C ATOM 1036 OE1 GLN A 66 60.081 4.572 -10.890 1.00 0.00 O ATOM 1037 NE2 GLN A 66 60.898 6.319 -9.867 1.00 0.00 N ATOM 0 H GLN A 66 59.806 5.041 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 66 57.588 4.601 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 66 60.088 5.729 -7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 66 60.423 4.114 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 66 58.255 4.413 -9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 66 58.394 6.118 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 66 60.858 6.969 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 66 61.614 6.430 -10.584 1.00 0.00 H new ATOM 1046 N GLY A 67 59.607 2.186 -5.904 1.00 0.00 N ATOM 1047 CA GLY A 67 59.730 0.701 -5.866 1.00 0.00 C ATOM 1048 C GLY A 67 60.794 0.240 -6.865 1.00 0.00 C ATOM 1049 O GLY A 67 60.737 -0.859 -7.378 1.00 0.00 O ATOM 0 H GLY A 67 60.310 2.693 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 67 59.997 0.375 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 67 58.771 0.242 -6.105 1.00 0.00 H new ATOM 1053 N ILE A 68 61.765 1.067 -7.147 1.00 0.00 N ATOM 1054 CA ILE A 68 62.825 0.660 -8.114 1.00 0.00 C ATOM 1055 C ILE A 68 64.188 1.157 -7.624 1.00 0.00 C ATOM 1056 O ILE A 68 64.290 1.794 -6.597 1.00 0.00 O ATOM 1057 CB ILE A 68 62.523 1.266 -9.486 1.00 0.00 C ATOM 1058 CG1 ILE A 68 62.417 2.788 -9.360 1.00 0.00 C ATOM 1059 CG2 ILE A 68 61.200 0.706 -10.011 1.00 0.00 C ATOM 1060 CD1 ILE A 68 63.766 3.424 -9.699 1.00 0.00 C ATOM 0 H ILE A 68 61.870 2.002 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 68 62.845 -0.427 -8.192 1.00 0.00 H new ATOM 0 HB ILE A 68 63.326 1.013 -10.179 1.00 0.00 H new ATOM 0 HG12 ILE A 68 61.646 3.166 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 68 62.119 3.060 -8.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 60.985 1.138 -10.988 1.00 0.00 H new ATOM 0 HG22 ILE A 68 61.274 -0.378 -10.101 1.00 0.00 H new ATOM 0 HG23 ILE A 68 60.397 0.959 -9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 68 63.690 4.508 -9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 68 64.526 3.055 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 68 64.045 3.163 -10.720 1.00 0.00 H new ATOM 1072 N LEU A 69 65.234 0.873 -8.357 1.00 0.00 N ATOM 1073 CA LEU A 69 66.592 1.326 -7.942 1.00 0.00 C ATOM 1074 C LEU A 69 67.520 1.306 -9.158 1.00 0.00 C ATOM 1075 O LEU A 69 67.102 1.024 -10.264 1.00 0.00 O ATOM 1076 CB LEU A 69 67.146 0.380 -6.875 1.00 0.00 C ATOM 1077 CG LEU A 69 67.289 -1.024 -7.466 1.00 0.00 C ATOM 1078 CD1 LEU A 69 68.594 -1.653 -6.978 1.00 0.00 C ATOM 1079 CD2 LEU A 69 66.109 -1.888 -7.014 1.00 0.00 C ATOM 0 H LEU A 69 65.204 0.344 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 69 66.530 2.336 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 69 68.113 0.738 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.480 0.357 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 69 67.301 -0.961 -8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 69 68.696 -2.653 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.436 -1.038 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 69 68.583 -1.717 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 69 66.209 -2.889 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.100 -1.950 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 69 65.177 -1.441 -7.360 1.00 0.00 H new ATOM 1091 N CYS A 70 68.778 1.594 -8.963 1.00 0.00 N ATOM 1092 CA CYS A 70 69.729 1.581 -10.109 1.00 0.00 C ATOM 1093 C CYS A 70 71.160 1.455 -9.582 1.00 0.00 C ATOM 1094 O CYS A 70 71.403 1.544 -8.395 1.00 0.00 O ATOM 1095 CB CYS A 70 69.589 2.879 -10.907 1.00 0.00 C ATOM 1096 SG CYS A 70 70.086 4.281 -9.875 1.00 0.00 S ATOM 0 H CYS A 70 69.187 1.837 -8.061 1.00 0.00 H new ATOM 0 HA CYS A 70 69.505 0.734 -10.757 1.00 0.00 H new ATOM 0 HB2 CYS A 70 70.208 2.836 -11.803 1.00 0.00 H new ATOM 0 HB3 CYS A 70 68.558 3.005 -11.238 1.00 0.00 H new ATOM 0 HG CYS A 70 69.969 5.383 -10.555 1.00 0.00 H new ATOM 1102 N TYR A 71 72.110 1.247 -10.453 1.00 0.00 N ATOM 1103 CA TYR A 71 73.521 1.114 -9.995 1.00 0.00 C ATOM 1104 C TYR A 71 74.390 2.157 -10.706 1.00 0.00 C ATOM 1105 O TYR A 71 74.095 2.555 -11.816 1.00 0.00 O ATOM 1106 CB TYR A 71 74.034 -0.291 -10.323 1.00 0.00 C ATOM 1107 CG TYR A 71 73.257 -1.309 -9.521 1.00 0.00 C ATOM 1108 CD1 TYR A 71 73.076 -1.125 -8.145 1.00 0.00 C ATOM 1109 CD2 TYR A 71 72.716 -2.435 -10.154 1.00 0.00 C ATOM 1110 CE1 TYR A 71 72.356 -2.068 -7.401 1.00 0.00 C ATOM 1111 CE2 TYR A 71 71.996 -3.378 -9.410 1.00 0.00 C ATOM 1112 CZ TYR A 71 71.815 -3.193 -8.034 1.00 0.00 C ATOM 1113 OH TYR A 71 71.104 -4.122 -7.301 1.00 0.00 O ATOM 0 H TYR A 71 71.970 1.164 -11.460 1.00 0.00 H new ATOM 0 HA TYR A 71 73.570 1.275 -8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 71 73.924 -0.491 -11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 71 75.097 -0.365 -10.093 1.00 0.00 H new ATOM 0 HD1 TYR A 71 73.492 -0.256 -7.657 1.00 0.00 H new ATOM 0 HD2 TYR A 71 72.854 -2.576 -11.216 1.00 0.00 H new ATOM 0 HE1 TYR A 71 72.218 -1.927 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 71 71.581 -4.248 -9.897 1.00 0.00 H new ATOM 0 HH TYR A 71 70.797 -4.840 -7.893 1.00 0.00 H new ATOM 1123 N PRO A 72 75.437 2.571 -10.039 1.00 0.00 N ATOM 1124 CA PRO A 72 76.375 3.573 -10.573 1.00 0.00 C ATOM 1125 C PRO A 72 77.323 2.936 -11.594 1.00 0.00 C ATOM 1126 O PRO A 72 78.487 2.720 -11.324 1.00 0.00 O ATOM 1127 CB PRO A 72 77.144 4.041 -9.334 1.00 0.00 C ATOM 1128 CG PRO A 72 77.013 2.910 -8.287 1.00 0.00 C ATOM 1129 CD PRO A 72 75.782 2.077 -8.690 1.00 0.00 C ATOM 0 HA PRO A 72 75.875 4.389 -11.095 1.00 0.00 H new ATOM 0 HB2 PRO A 72 78.190 4.229 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 72 76.732 4.975 -8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 72 77.911 2.292 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 72 76.891 3.322 -7.285 1.00 0.00 H new ATOM 0 HD2 PRO A 72 76.009 1.011 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 72 74.958 2.220 -7.991 1.00 0.00 H new ATOM 1137 N ALA A 73 76.835 2.643 -12.768 1.00 0.00 N ATOM 1138 CA ALA A 73 77.711 2.030 -13.806 1.00 0.00 C ATOM 1139 C ALA A 73 76.892 1.748 -15.070 1.00 0.00 C ATOM 1140 O ALA A 73 77.212 2.245 -16.131 1.00 0.00 O ATOM 1141 CB ALA A 73 78.317 0.730 -13.273 1.00 0.00 C ATOM 0 H ALA A 73 75.869 2.801 -13.053 1.00 0.00 H new ATOM 0 HA ALA A 73 78.518 2.721 -14.050 1.00 0.00 H new ATOM 0 HB1 ALA A 73 78.956 0.287 -14.036 1.00 0.00 H new ATOM 0 HB2 ALA A 73 78.909 0.943 -12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.518 0.033 -13.020 1.00 0.00 H new ATOM 1147 N PRO A 74 75.850 0.966 -14.923 1.00 0.00 N ATOM 1148 CA PRO A 74 74.965 0.616 -16.048 1.00 0.00 C ATOM 1149 C PRO A 74 74.022 1.782 -16.361 1.00 0.00 C ATOM 1150 O PRO A 74 73.699 2.577 -15.501 1.00 0.00 O ATOM 1151 CB PRO A 74 74.184 -0.594 -15.530 1.00 0.00 C ATOM 1152 CG PRO A 74 74.242 -0.521 -13.986 1.00 0.00 C ATOM 1153 CD PRO A 74 75.456 0.359 -13.633 1.00 0.00 C ATOM 0 HA PRO A 74 75.505 0.402 -16.970 1.00 0.00 H new ATOM 0 HB2 PRO A 74 73.153 -0.570 -15.882 1.00 0.00 H new ATOM 0 HB3 PRO A 74 74.623 -1.524 -15.892 1.00 0.00 H new ATOM 0 HG2 PRO A 74 73.324 -0.094 -13.583 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.346 -1.517 -13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 74 75.196 1.120 -12.897 1.00 0.00 H new ATOM 0 HD3 PRO A 74 76.266 -0.232 -13.207 1.00 0.00 H new ATOM 1161 N LYS A 75 73.580 1.892 -17.584 1.00 0.00 N ATOM 1162 CA LYS A 75 72.662 3.009 -17.945 1.00 0.00 C ATOM 1163 C LYS A 75 71.841 2.618 -19.176 1.00 0.00 C ATOM 1164 O LYS A 75 70.652 2.391 -19.023 1.00 0.00 O ATOM 1165 CB LYS A 75 73.482 4.264 -18.255 1.00 0.00 C ATOM 1166 CG LYS A 75 74.725 3.877 -19.059 1.00 0.00 C ATOM 1167 CD LYS A 75 75.226 5.092 -19.844 1.00 0.00 C ATOM 1168 CE LYS A 75 75.866 4.625 -21.153 1.00 0.00 C ATOM 1169 NZ LYS A 75 77.117 5.395 -21.400 1.00 0.00 N ATOM 1170 OXT LYS A 75 72.416 2.549 -20.250 1.00 0.00 O ATOM 0 H LYS A 75 73.814 1.258 -18.348 1.00 0.00 H new ATOM 0 HA LYS A 75 71.991 3.211 -17.111 1.00 0.00 H new ATOM 0 HB2 LYS A 75 72.878 4.975 -18.819 1.00 0.00 H new ATOM 0 HB3 LYS A 75 73.775 4.758 -17.328 1.00 0.00 H new ATOM 0 HG2 LYS A 75 75.506 3.516 -18.390 1.00 0.00 H new ATOM 0 HG3 LYS A 75 74.489 3.061 -19.743 1.00 0.00 H new ATOM 0 HD2 LYS A 75 74.398 5.770 -20.053 1.00 0.00 H new ATOM 0 HD3 LYS A 75 75.951 5.648 -19.250 1.00 0.00 H new ATOM 0 HE2 LYS A 75 76.087 3.559 -21.101 1.00 0.00 H new ATOM 0 HE3 LYS A 75 75.171 4.766 -21.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 77.551 5.076 -22.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 76.893 6.408 -21.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 77.782 5.238 -20.616 1.00 0.00 H new TER 1184 LYS A 75