USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 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 3 HIS : no HE2:sc= -6.38! C(o=-5!,f=-9.2!) USER MOD Set 1.2: A 13 SER OG : rot -104:sc= 1.33 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.728 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.8!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -2:sc= -1.74! USER MOD Single : A 34 ASN : amide:sc= -3.11! C(o=-3.1!,f=-5.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.0032) USER MOD Single : A 45 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.006) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -3.43! C(o=-4.4!,f=-3.4!) USER MOD Single : A 51 SER OG : rot 140:sc= -0.0549 USER MOD Single : A 52 ASN : amide:sc= 0.127 X(o=0.13,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -149:sc= -1.49! USER MOD Single : A 63 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.91 USER MOD Single : A 71 THR OG1 : rot 174:sc= -0.0933 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.37) USER MOD Single : A 83 SER OG : rot -93:sc= 0.591 USER MOD Single : A 84 THR OG1 : rot -29:sc= -0.965! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.9!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.95) USER MOD Single : A 92 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.024) USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= -0.14 (180deg=-0.77!) USER MOD Single : A 94 TYR OH : rot 169:sc= 0.22 USER MOD Single : A 95 SER OG : rot 98:sc= -2.9! USER MOD Single : A 98 THR OG1 : rot 55:sc= -0.641 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 47.982 1.648 -37.804 1.00 0.00 N ATOM 32 CA HIS A 3 47.027 1.272 -36.769 1.00 0.00 C ATOM 33 C HIS A 3 47.575 1.601 -35.384 1.00 0.00 C ATOM 34 O HIS A 3 48.766 1.430 -35.123 1.00 0.00 O ATOM 35 CB HIS A 3 46.710 -0.222 -36.862 1.00 0.00 C ATOM 36 CG HIS A 3 45.483 -0.526 -37.663 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.392 -0.296 -39.020 1.00 0.00 N ATOM 38 CD2 HIS A 3 44.290 -1.053 -37.294 1.00 0.00 C ATOM 39 CE1 HIS A 3 44.199 -0.666 -39.450 1.00 0.00 C ATOM 40 NE2 HIS A 3 43.512 -1.128 -38.422 1.00 0.00 N ATOM 0 HA HIS A 3 46.111 1.842 -36.925 1.00 0.00 H new ATOM 0 HB2 HIS A 3 47.561 -0.738 -37.306 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.585 -0.622 -35.856 1.00 0.00 H new ATOM 0 HD1 HIS A 3 46.131 0.099 -39.601 1.00 0.00 H new ATOM 0 HD2 HIS A 3 44.005 -1.357 -36.298 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.846 -0.601 -40.469 1.00 0.00 H new ATOM 49 N CYS A 4 46.704 2.075 -34.497 1.00 0.00 N ATOM 50 CA CYS A 4 47.112 2.423 -33.147 1.00 0.00 C ATOM 51 C CYS A 4 46.561 1.424 -32.135 1.00 0.00 C ATOM 52 O CYS A 4 45.803 0.521 -32.488 1.00 0.00 O ATOM 53 CB CYS A 4 46.640 3.832 -32.796 1.00 0.00 C ATOM 54 SG CYS A 4 47.598 5.162 -33.595 1.00 0.00 S ATOM 0 H CYS A 4 45.714 2.225 -34.692 1.00 0.00 H new ATOM 0 HA CYS A 4 48.201 2.391 -33.106 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.592 3.933 -33.080 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.691 3.962 -31.715 1.00 0.00 H new ATOM 59 N VAL A 5 46.948 1.596 -30.877 1.00 0.00 N ATOM 60 CA VAL A 5 46.496 0.714 -29.809 1.00 0.00 C ATOM 61 C VAL A 5 46.695 1.366 -28.445 1.00 0.00 C ATOM 62 O VAL A 5 47.582 2.201 -28.270 1.00 0.00 O ATOM 63 CB VAL A 5 47.241 -0.634 -29.832 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.306 -1.768 -29.444 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.856 -0.886 -31.202 1.00 0.00 C ATOM 0 H VAL A 5 47.575 2.340 -30.571 1.00 0.00 H new ATOM 0 HA VAL A 5 45.434 0.533 -29.977 1.00 0.00 H new ATOM 0 HB VAL A 5 48.048 -0.592 -29.101 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.850 -2.712 -29.466 1.00 0.00 H new ATOM 0 HG12 VAL A 5 45.921 -1.594 -28.439 1.00 0.00 H new ATOM 0 HG13 VAL A 5 45.475 -1.812 -30.148 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.377 -1.843 -31.196 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.069 -0.906 -31.956 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.562 -0.089 -31.436 1.00 0.00 H new ATOM 75 N THR A 6 45.865 0.982 -27.482 1.00 0.00 N ATOM 76 CA THR A 6 45.952 1.531 -26.135 1.00 0.00 C ATOM 77 C THR A 6 46.834 0.666 -25.240 1.00 0.00 C ATOM 78 O THR A 6 46.962 0.922 -24.043 1.00 0.00 O ATOM 79 CB THR A 6 44.560 1.662 -25.491 1.00 0.00 C ATOM 80 OG1 THR A 6 44.128 0.391 -24.990 1.00 0.00 O ATOM 81 CG2 THR A 6 43.546 2.187 -26.497 1.00 0.00 C ATOM 0 H THR A 6 45.124 0.293 -27.609 1.00 0.00 H new ATOM 0 HA THR A 6 46.397 2.522 -26.228 1.00 0.00 H new ATOM 0 HB THR A 6 44.632 2.371 -24.666 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.242 0.485 -24.581 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.570 2.271 -26.019 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.861 3.168 -26.854 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.479 1.499 -27.340 1.00 0.00 H new ATOM 89 N ASP A 7 47.440 -0.361 -25.829 1.00 0.00 N ATOM 90 CA ASP A 7 48.310 -1.263 -25.084 1.00 0.00 C ATOM 91 C ASP A 7 47.496 -2.339 -24.372 1.00 0.00 C ATOM 92 O ASP A 7 48.051 -3.307 -23.849 1.00 0.00 O ATOM 93 CB ASP A 7 49.142 -0.480 -24.066 1.00 0.00 C ATOM 94 CG ASP A 7 50.582 -0.953 -24.008 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.822 -2.060 -23.483 1.00 0.00 O ATOM 96 OD2 ASP A 7 51.469 -0.216 -24.488 1.00 0.00 O ATOM 0 H ASP A 7 47.344 -0.588 -26.819 1.00 0.00 H new ATOM 0 HA ASP A 7 48.980 -1.749 -25.793 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.121 0.579 -24.322 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.690 -0.579 -23.079 1.00 0.00 H new ATOM 101 N SER A 8 46.178 -2.167 -24.355 1.00 0.00 N ATOM 102 CA SER A 8 45.290 -3.125 -23.707 1.00 0.00 C ATOM 103 C SER A 8 44.886 -4.231 -24.677 1.00 0.00 C ATOM 104 O SER A 8 44.575 -5.349 -24.265 1.00 0.00 O ATOM 105 CB SER A 8 44.043 -2.416 -23.174 1.00 0.00 C ATOM 106 OG SER A 8 44.185 -2.096 -21.800 1.00 0.00 O ATOM 0 H SER A 8 45.702 -1.373 -24.783 1.00 0.00 H new ATOM 0 HA SER A 8 45.827 -3.576 -22.872 1.00 0.00 H new ATOM 0 HB2 SER A 8 43.866 -1.505 -23.746 1.00 0.00 H new ATOM 0 HB3 SER A 8 43.171 -3.054 -23.314 1.00 0.00 H new ATOM 0 HG SER A 8 43.376 -1.642 -21.484 1.00 0.00 H new ATOM 112 N GLY A 9 44.891 -3.910 -25.967 1.00 0.00 N ATOM 113 CA GLY A 9 44.524 -4.887 -26.976 1.00 0.00 C ATOM 114 C GLY A 9 43.666 -4.292 -28.075 1.00 0.00 C ATOM 115 O GLY A 9 43.630 -4.810 -29.192 1.00 0.00 O ATOM 0 H GLY A 9 45.143 -2.991 -26.332 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.428 -5.309 -27.414 1.00 0.00 H new ATOM 0 HA3 GLY A 9 43.985 -5.708 -26.503 1.00 0.00 H new ATOM 119 N VAL A 10 42.973 -3.203 -27.759 1.00 0.00 N ATOM 120 CA VAL A 10 42.112 -2.538 -28.729 1.00 0.00 C ATOM 121 C VAL A 10 42.932 -1.846 -29.812 1.00 0.00 C ATOM 122 O VAL A 10 43.286 -0.674 -29.684 1.00 0.00 O ATOM 123 CB VAL A 10 41.199 -1.499 -28.051 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.102 -1.048 -29.003 1.00 0.00 C ATOM 125 CG2 VAL A 10 40.605 -2.064 -26.770 1.00 0.00 C ATOM 0 H VAL A 10 42.991 -2.763 -26.839 1.00 0.00 H new ATOM 0 HA VAL A 10 41.495 -3.312 -29.184 1.00 0.00 H new ATOM 0 HB VAL A 10 41.802 -0.629 -27.791 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.468 -0.314 -28.506 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.551 -0.599 -29.889 1.00 0.00 H new ATOM 0 HG13 VAL A 10 39.500 -1.908 -29.298 1.00 0.00 H new ATOM 0 HG21 VAL A 10 39.963 -1.315 -26.306 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.017 -2.952 -27.002 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.408 -2.330 -26.083 1.00 0.00 H new ATOM 135 N VAL A 11 43.230 -2.579 -30.880 1.00 0.00 N ATOM 136 CA VAL A 11 44.007 -2.036 -31.987 1.00 0.00 C ATOM 137 C VAL A 11 43.235 -0.943 -32.716 1.00 0.00 C ATOM 138 O VAL A 11 42.576 -1.200 -33.723 1.00 0.00 O ATOM 139 CB VAL A 11 44.394 -3.134 -32.994 1.00 0.00 C ATOM 140 CG1 VAL A 11 45.665 -2.753 -33.738 1.00 0.00 C ATOM 141 CG2 VAL A 11 44.561 -4.472 -32.289 1.00 0.00 C ATOM 0 H VAL A 11 42.945 -3.551 -31.002 1.00 0.00 H new ATOM 0 HA VAL A 11 44.915 -1.612 -31.558 1.00 0.00 H new ATOM 0 HB VAL A 11 43.589 -3.232 -33.723 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.923 -3.541 -34.445 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.505 -1.820 -34.278 1.00 0.00 H new ATOM 0 HG13 VAL A 11 46.479 -2.625 -33.025 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.834 -5.235 -33.017 1.00 0.00 H new ATOM 0 HG22 VAL A 11 45.345 -4.391 -31.536 1.00 0.00 H new ATOM 0 HG23 VAL A 11 43.623 -4.749 -31.808 1.00 0.00 H new ATOM 151 N TYR A 12 43.323 0.279 -32.200 1.00 0.00 N ATOM 152 CA TYR A 12 42.633 1.412 -32.803 1.00 0.00 C ATOM 153 C TYR A 12 43.342 1.862 -34.074 1.00 0.00 C ATOM 154 O TYR A 12 44.358 2.554 -34.019 1.00 0.00 O ATOM 155 CB TYR A 12 42.554 2.575 -31.812 1.00 0.00 C ATOM 156 CG TYR A 12 41.436 2.433 -30.805 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.115 2.660 -31.170 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.702 2.071 -29.492 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.089 2.530 -30.254 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.682 1.938 -28.569 1.00 0.00 C ATOM 161 CZ TYR A 12 39.377 2.169 -28.955 1.00 0.00 C ATOM 162 OH TYR A 12 38.359 2.038 -28.039 1.00 0.00 O ATOM 0 H TYR A 12 43.865 0.509 -31.367 1.00 0.00 H new ATOM 0 HA TYR A 12 41.623 1.095 -33.062 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.503 2.655 -31.281 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.419 3.505 -32.365 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.886 2.943 -32.187 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.722 1.890 -29.187 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.067 2.710 -30.554 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.905 1.655 -27.551 1.00 0.00 H new ATOM 0 HH TYR A 12 38.732 1.777 -27.171 1.00 0.00 H new ATOM 172 N SER A 13 42.802 1.463 -35.219 1.00 0.00 N ATOM 173 CA SER A 13 43.387 1.826 -36.503 1.00 0.00 C ATOM 174 C SER A 13 43.702 3.316 -36.556 1.00 0.00 C ATOM 175 O SER A 13 43.479 4.045 -35.589 1.00 0.00 O ATOM 176 CB SER A 13 42.441 1.457 -37.645 1.00 0.00 C ATOM 177 OG SER A 13 41.566 0.409 -37.265 1.00 0.00 O ATOM 0 H SER A 13 41.961 0.889 -35.284 1.00 0.00 H new ATOM 0 HA SER A 13 44.317 1.269 -36.616 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.860 2.332 -37.937 1.00 0.00 H new ATOM 0 HB3 SER A 13 43.020 1.153 -38.517 1.00 0.00 H new ATOM 0 HG SER A 13 41.866 -0.431 -37.671 1.00 0.00 H new ATOM 183 N VAL A 14 44.221 3.760 -37.693 1.00 0.00 N ATOM 184 CA VAL A 14 44.570 5.161 -37.879 1.00 0.00 C ATOM 185 C VAL A 14 43.452 5.911 -38.594 1.00 0.00 C ATOM 186 O VAL A 14 43.564 6.236 -39.776 1.00 0.00 O ATOM 187 CB VAL A 14 45.877 5.308 -38.682 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.894 4.332 -39.848 1.00 0.00 C ATOM 189 CG2 VAL A 14 46.056 6.738 -39.170 1.00 0.00 C ATOM 0 H VAL A 14 44.410 3.168 -38.502 1.00 0.00 H new ATOM 0 HA VAL A 14 44.714 5.592 -36.888 1.00 0.00 H new ATOM 0 HB VAL A 14 46.713 5.072 -38.024 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.823 4.448 -40.406 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.822 3.312 -39.470 1.00 0.00 H new ATOM 0 HG13 VAL A 14 45.049 4.536 -40.505 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.985 6.816 -39.734 1.00 0.00 H new ATOM 0 HG22 VAL A 14 45.218 7.011 -39.812 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.093 7.412 -38.315 1.00 0.00 H new ATOM 199 N GLY A 15 42.376 6.182 -37.867 1.00 0.00 N ATOM 200 CA GLY A 15 41.251 6.892 -38.445 1.00 0.00 C ATOM 201 C GLY A 15 39.919 6.323 -38.007 1.00 0.00 C ATOM 202 O GLY A 15 38.964 6.294 -38.782 1.00 0.00 O ATOM 0 H GLY A 15 42.262 5.923 -36.887 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.304 7.943 -38.161 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.320 6.852 -39.532 1.00 0.00 H new ATOM 206 N MET A 16 39.852 5.868 -36.761 1.00 0.00 N ATOM 207 CA MET A 16 38.622 5.297 -36.227 1.00 0.00 C ATOM 208 C MET A 16 37.901 6.299 -35.332 1.00 0.00 C ATOM 209 O MET A 16 36.693 6.198 -35.123 1.00 0.00 O ATOM 210 CB MET A 16 38.925 4.017 -35.444 1.00 0.00 C ATOM 211 CG MET A 16 37.840 2.961 -35.568 1.00 0.00 C ATOM 212 SD MET A 16 37.599 2.029 -34.044 1.00 0.00 S ATOM 213 CE MET A 16 38.436 0.498 -34.448 1.00 0.00 C ATOM 0 H MET A 16 40.632 5.883 -36.104 1.00 0.00 H new ATOM 0 HA MET A 16 37.970 5.053 -37.066 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.869 3.600 -35.795 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.059 4.267 -34.392 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.902 3.441 -35.848 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.099 2.273 -36.373 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.374 -0.185 -33.601 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.962 0.042 -35.317 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.483 0.704 -34.672 1.00 0.00 H new ATOM 223 N GLN A 17 38.648 7.266 -34.810 1.00 0.00 N ATOM 224 CA GLN A 17 38.077 8.286 -33.937 1.00 0.00 C ATOM 225 C GLN A 17 37.114 7.661 -32.934 1.00 0.00 C ATOM 226 O GLN A 17 35.960 7.378 -33.257 1.00 0.00 O ATOM 227 CB GLN A 17 37.350 9.346 -34.765 1.00 0.00 C ATOM 228 CG GLN A 17 38.160 10.613 -34.975 1.00 0.00 C ATOM 229 CD GLN A 17 37.310 11.773 -35.455 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.909 11.824 -36.618 1.00 0.00 O ATOM 231 NE2 GLN A 17 37.028 12.712 -34.559 1.00 0.00 N ATOM 0 H GLN A 17 39.650 7.365 -34.976 1.00 0.00 H new ATOM 0 HA GLN A 17 38.892 8.759 -33.389 1.00 0.00 H new ATOM 0 HB2 GLN A 17 37.093 8.923 -35.736 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.413 9.601 -34.271 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.648 10.887 -34.040 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.949 10.420 -35.702 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.381 12.630 -33.606 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.458 13.515 -34.824 1.00 0.00 H new ATOM 240 N TRP A 18 37.599 7.441 -31.719 1.00 0.00 N ATOM 241 CA TRP A 18 36.786 6.839 -30.670 1.00 0.00 C ATOM 242 C TRP A 18 36.727 7.734 -29.436 1.00 0.00 C ATOM 243 O TRP A 18 37.099 8.906 -29.485 1.00 0.00 O ATOM 244 CB TRP A 18 37.354 5.471 -30.294 1.00 0.00 C ATOM 245 CG TRP A 18 38.720 5.550 -29.689 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.029 5.485 -28.361 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.963 5.718 -30.383 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.386 5.601 -28.186 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.982 5.746 -29.412 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.317 5.846 -31.732 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.326 5.900 -29.745 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.651 5.997 -32.060 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.641 6.023 -31.071 1.00 0.00 C ATOM 0 H TRP A 18 38.552 7.670 -31.435 1.00 0.00 H new ATOM 0 HA TRP A 18 35.772 6.720 -31.051 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.679 4.985 -29.590 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.393 4.843 -31.184 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.311 5.360 -27.564 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.872 5.582 -27.289 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.561 5.827 -32.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.092 5.922 -28.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.934 6.097 -33.097 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.675 6.143 -31.360 1.00 0.00 H new ATOM 264 N LEU A 19 36.262 7.167 -28.326 1.00 0.00 N ATOM 265 CA LEU A 19 36.156 7.903 -27.071 1.00 0.00 C ATOM 266 C LEU A 19 36.439 6.985 -25.887 1.00 0.00 C ATOM 267 O LEU A 19 35.970 5.848 -25.846 1.00 0.00 O ATOM 268 CB LEU A 19 34.765 8.524 -26.927 1.00 0.00 C ATOM 269 CG LEU A 19 34.568 9.381 -25.674 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.488 10.854 -26.042 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.317 8.949 -24.924 1.00 0.00 C ATOM 0 H LEU A 19 35.952 6.197 -28.271 1.00 0.00 H new ATOM 0 HA LEU A 19 36.898 8.702 -27.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.565 9.138 -27.805 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.025 7.724 -26.922 1.00 0.00 H new ATOM 0 HG LEU A 19 35.428 9.237 -25.020 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.348 11.448 -25.139 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.412 11.156 -26.535 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.647 11.015 -26.716 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.193 9.569 -24.036 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.447 9.063 -25.571 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.413 7.905 -24.627 1.00 0.00 H new ATOM 283 N LYS A 20 37.215 7.482 -24.930 1.00 0.00 N ATOM 284 CA LYS A 20 37.565 6.698 -23.750 1.00 0.00 C ATOM 285 C LYS A 20 36.890 7.250 -22.498 1.00 0.00 C ATOM 286 O LYS A 20 36.326 8.343 -22.513 1.00 0.00 O ATOM 287 CB LYS A 20 39.082 6.685 -23.559 1.00 0.00 C ATOM 288 CG LYS A 20 39.686 8.073 -23.415 1.00 0.00 C ATOM 289 CD LYS A 20 41.202 8.013 -23.325 1.00 0.00 C ATOM 290 CE LYS A 20 41.668 7.824 -21.891 1.00 0.00 C ATOM 291 NZ LYS A 20 42.089 6.420 -21.625 1.00 0.00 N ATOM 0 H LYS A 20 37.613 8.421 -24.947 1.00 0.00 H new ATOM 0 HA LYS A 20 37.211 5.679 -23.907 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.324 6.098 -22.673 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.543 6.183 -24.409 1.00 0.00 H new ATOM 0 HG2 LYS A 20 39.395 8.688 -24.267 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.286 8.554 -22.523 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.572 7.192 -23.940 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.628 8.931 -23.729 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.501 8.497 -21.688 1.00 0.00 H new ATOM 0 HE3 LYS A 20 40.863 8.097 -21.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.400 6.332 -20.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 41.287 5.779 -21.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 42.874 6.167 -22.259 1.00 0.00 H new ATOM 379 N GLN A 26 35.200 11.726 -18.710 1.00 0.00 N ATOM 380 CA GLN A 26 35.085 11.327 -20.107 1.00 0.00 C ATOM 381 C GLN A 26 36.124 12.045 -20.961 1.00 0.00 C ATOM 382 O GLN A 26 36.394 13.229 -20.760 1.00 0.00 O ATOM 383 CB GLN A 26 33.679 11.630 -20.630 1.00 0.00 C ATOM 384 CG GLN A 26 32.965 10.414 -21.196 1.00 0.00 C ATOM 385 CD GLN A 26 31.806 9.964 -20.329 1.00 0.00 C ATOM 386 OE1 GLN A 26 31.686 10.369 -19.172 1.00 0.00 O ATOM 387 NE2 GLN A 26 30.944 9.120 -20.885 1.00 0.00 N ATOM 0 HA GLN A 26 35.265 10.254 -20.171 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.081 12.047 -19.820 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.745 12.395 -21.404 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.598 10.645 -22.196 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.676 9.595 -21.299 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.082 8.810 -21.847 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.144 8.782 -20.350 1.00 0.00 H new ATOM 396 N MET A 27 36.707 11.322 -21.912 1.00 0.00 N ATOM 397 CA MET A 27 37.719 11.896 -22.793 1.00 0.00 C ATOM 398 C MET A 27 37.686 11.238 -24.168 1.00 0.00 C ATOM 399 O MET A 27 37.501 10.026 -24.283 1.00 0.00 O ATOM 400 CB MET A 27 39.107 11.742 -22.173 1.00 0.00 C ATOM 401 CG MET A 27 39.963 12.993 -22.281 1.00 0.00 C ATOM 402 SD MET A 27 41.654 12.635 -22.795 1.00 0.00 S ATOM 403 CE MET A 27 42.346 12.005 -21.268 1.00 0.00 C ATOM 0 H MET A 27 36.497 10.340 -22.092 1.00 0.00 H new ATOM 0 HA MET A 27 37.498 12.956 -22.916 1.00 0.00 H new ATOM 0 HB2 MET A 27 38.999 11.475 -21.122 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.624 10.915 -22.660 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.508 13.679 -22.995 1.00 0.00 H new ATOM 0 HG3 MET A 27 39.980 13.501 -21.317 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.391 11.739 -21.425 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.278 12.770 -20.495 1.00 0.00 H new ATOM 0 HE3 MET A 27 41.790 11.122 -20.954 1.00 0.00 H new ATOM 413 N LEU A 28 37.871 12.044 -25.211 1.00 0.00 N ATOM 414 CA LEU A 28 37.866 11.532 -26.577 1.00 0.00 C ATOM 415 C LEU A 28 39.287 11.241 -27.047 1.00 0.00 C ATOM 416 O LEU A 28 40.213 11.999 -26.760 1.00 0.00 O ATOM 417 CB LEU A 28 37.199 12.533 -27.522 1.00 0.00 C ATOM 418 CG LEU A 28 37.167 12.107 -28.991 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.763 11.682 -29.392 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.661 13.236 -29.882 1.00 0.00 C ATOM 0 H LEU A 28 38.025 13.049 -25.136 1.00 0.00 H new ATOM 0 HA LEU A 28 37.296 10.603 -26.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.176 12.703 -27.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.722 13.486 -27.446 1.00 0.00 H new ATOM 0 HG LEU A 28 37.832 11.253 -29.118 1.00 0.00 H new ATOM 0 HD11 LEU A 28 35.759 11.382 -30.440 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.446 10.842 -28.773 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.076 12.516 -29.251 1.00 0.00 H new ATOM 0 HD21 LEU A 28 37.632 12.917 -30.924 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.021 14.109 -29.752 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.685 13.493 -29.610 1.00 0.00 H new ATOM 432 N CYS A 29 39.455 10.136 -27.766 1.00 0.00 N ATOM 433 CA CYS A 29 40.769 9.749 -28.266 1.00 0.00 C ATOM 434 C CYS A 29 40.710 9.357 -29.736 1.00 0.00 C ATOM 435 O CYS A 29 39.668 8.934 -30.236 1.00 0.00 O ATOM 436 CB CYS A 29 41.329 8.593 -27.436 1.00 0.00 C ATOM 437 SG CYS A 29 43.124 8.354 -27.620 1.00 0.00 S ATOM 0 H CYS A 29 38.701 9.495 -28.015 1.00 0.00 H new ATOM 0 HA CYS A 29 41.430 10.611 -28.174 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.102 8.770 -26.385 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.819 7.673 -27.722 1.00 0.00 H new ATOM 442 N THR A 30 41.838 9.506 -30.424 1.00 0.00 N ATOM 443 CA THR A 30 41.912 9.170 -31.846 1.00 0.00 C ATOM 444 C THR A 30 43.342 8.863 -32.286 1.00 0.00 C ATOM 445 O THR A 30 44.305 9.251 -31.627 1.00 0.00 O ATOM 446 CB THR A 30 41.368 10.311 -32.725 1.00 0.00 C ATOM 447 OG1 THR A 30 39.997 10.570 -32.403 1.00 0.00 O ATOM 448 CG2 THR A 30 41.489 9.957 -34.200 1.00 0.00 C ATOM 0 H THR A 30 42.709 9.855 -30.025 1.00 0.00 H new ATOM 0 HA THR A 30 41.296 8.280 -31.977 1.00 0.00 H new ATOM 0 HB THR A 30 41.960 11.205 -32.529 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.695 9.934 -31.721 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.099 10.776 -34.804 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.537 9.789 -34.449 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.918 9.051 -34.405 1.00 0.00 H new ATOM 456 N CYS A 31 43.464 8.175 -33.419 1.00 0.00 N ATOM 457 CA CYS A 31 44.769 7.826 -33.973 1.00 0.00 C ATOM 458 C CYS A 31 45.020 8.608 -35.258 1.00 0.00 C ATOM 459 O CYS A 31 44.476 8.281 -36.312 1.00 0.00 O ATOM 460 CB CYS A 31 44.852 6.323 -34.256 1.00 0.00 C ATOM 461 SG CYS A 31 46.390 5.808 -35.094 1.00 0.00 S ATOM 0 H CYS A 31 42.672 7.848 -33.972 1.00 0.00 H new ATOM 0 HA CYS A 31 45.533 8.086 -33.240 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.765 5.781 -33.314 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.000 6.032 -34.871 1.00 0.00 H new ATOM 466 N LEU A 32 45.839 9.650 -35.162 1.00 0.00 N ATOM 467 CA LEU A 32 46.150 10.485 -36.318 1.00 0.00 C ATOM 468 C LEU A 32 47.202 9.829 -37.210 1.00 0.00 C ATOM 469 O LEU A 32 46.874 8.997 -38.056 1.00 0.00 O ATOM 470 CB LEU A 32 46.628 11.866 -35.863 1.00 0.00 C ATOM 471 CG LEU A 32 47.378 11.889 -34.530 1.00 0.00 C ATOM 472 CD1 LEU A 32 48.559 12.841 -34.600 1.00 0.00 C ATOM 473 CD2 LEU A 32 46.438 12.280 -33.398 1.00 0.00 C ATOM 0 H LEU A 32 46.299 9.937 -34.298 1.00 0.00 H new ATOM 0 HA LEU A 32 45.238 10.600 -36.903 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.277 12.280 -36.634 1.00 0.00 H new ATOM 0 HB3 LEU A 32 45.763 12.525 -35.787 1.00 0.00 H new ATOM 0 HG LEU A 32 47.758 10.887 -34.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.081 12.844 -33.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.242 12.516 -35.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.203 13.847 -34.823 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.987 12.292 -32.457 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.028 13.271 -33.591 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.625 11.557 -33.335 1.00 0.00 H new ATOM 485 N GLY A 33 48.462 10.208 -37.024 1.00 0.00 N ATOM 486 CA GLY A 33 49.528 9.642 -37.830 1.00 0.00 C ATOM 487 C GLY A 33 50.775 9.345 -37.024 1.00 0.00 C ATOM 488 O GLY A 33 51.376 8.281 -37.168 1.00 0.00 O ATOM 0 H GLY A 33 48.763 10.894 -36.332 1.00 0.00 H new ATOM 0 HA2 GLY A 33 49.175 8.723 -38.298 1.00 0.00 H new ATOM 0 HA3 GLY A 33 49.777 10.334 -38.634 1.00 0.00 H new ATOM 492 N ASN A 34 51.162 10.285 -36.174 1.00 0.00 N ATOM 493 CA ASN A 34 52.344 10.117 -35.339 1.00 0.00 C ATOM 494 C ASN A 34 52.055 9.149 -34.198 1.00 0.00 C ATOM 495 O ASN A 34 52.969 8.560 -33.620 1.00 0.00 O ATOM 496 CB ASN A 34 52.807 11.470 -34.787 1.00 0.00 C ATOM 497 CG ASN A 34 52.112 11.845 -33.491 1.00 0.00 C ATOM 498 OD1 ASN A 34 51.124 12.577 -33.493 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.630 11.343 -32.376 1.00 0.00 N ATOM 0 H ASN A 34 50.675 11.172 -36.044 1.00 0.00 H new ATOM 0 HA ASN A 34 53.144 9.702 -35.952 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.884 11.440 -34.621 1.00 0.00 H new ATOM 0 HB3 ASN A 34 52.620 12.244 -35.531 1.00 0.00 H new ATOM 0 HD21 ASN A 34 52.207 11.561 -31.474 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.451 10.740 -32.422 1.00 0.00 H new ATOM 506 N GLY A 35 50.774 8.990 -33.882 1.00 0.00 N ATOM 507 CA GLY A 35 50.377 8.093 -32.814 1.00 0.00 C ATOM 508 C GLY A 35 48.902 8.203 -32.485 1.00 0.00 C ATOM 509 O GLY A 35 48.048 7.975 -33.342 1.00 0.00 O ATOM 0 H GLY A 35 50.003 9.468 -34.348 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.607 7.067 -33.101 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.963 8.313 -31.922 1.00 0.00 H new ATOM 513 N VAL A 36 48.602 8.556 -31.241 1.00 0.00 N ATOM 514 CA VAL A 36 47.221 8.700 -30.797 1.00 0.00 C ATOM 515 C VAL A 36 47.084 9.877 -29.836 1.00 0.00 C ATOM 516 O VAL A 36 47.809 9.969 -28.845 1.00 0.00 O ATOM 517 CB VAL A 36 46.718 7.408 -30.117 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.502 7.678 -29.246 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.403 6.353 -31.158 1.00 0.00 C ATOM 0 H VAL A 36 49.298 8.748 -30.521 1.00 0.00 H new ATOM 0 HA VAL A 36 46.609 8.889 -31.679 1.00 0.00 H new ATOM 0 HB VAL A 36 47.513 7.037 -29.471 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.173 6.748 -28.782 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.763 8.398 -28.470 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.697 8.082 -29.860 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.050 5.448 -30.664 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.630 6.725 -31.830 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.303 6.126 -31.730 1.00 0.00 H new ATOM 529 N SER A 37 46.156 10.778 -30.141 1.00 0.00 N ATOM 530 CA SER A 37 45.933 11.952 -29.307 1.00 0.00 C ATOM 531 C SER A 37 44.493 12.008 -28.805 1.00 0.00 C ATOM 532 O SER A 37 43.547 11.944 -29.591 1.00 0.00 O ATOM 533 CB SER A 37 46.259 13.226 -30.089 1.00 0.00 C ATOM 534 OG SER A 37 46.238 14.362 -29.242 1.00 0.00 O ATOM 0 H SER A 37 45.548 10.718 -30.958 1.00 0.00 H new ATOM 0 HA SER A 37 46.594 11.879 -28.443 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.241 13.131 -30.552 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.538 13.356 -30.896 1.00 0.00 H new ATOM 0 HG SER A 37 46.451 15.163 -29.764 1.00 0.00 H new ATOM 540 N CYS A 38 44.337 12.136 -27.492 1.00 0.00 N ATOM 541 CA CYS A 38 43.016 12.211 -26.881 1.00 0.00 C ATOM 542 C CYS A 38 42.908 13.440 -25.987 1.00 0.00 C ATOM 543 O CYS A 38 43.817 13.742 -25.214 1.00 0.00 O ATOM 544 CB CYS A 38 42.725 10.953 -26.060 1.00 0.00 C ATOM 545 SG CYS A 38 43.950 9.615 -26.258 1.00 0.00 S ATOM 0 H CYS A 38 45.111 12.190 -26.830 1.00 0.00 H new ATOM 0 HA CYS A 38 42.281 12.287 -27.683 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.673 11.227 -25.006 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.743 10.572 -26.339 1.00 0.00 H new ATOM 550 N GLN A 39 41.789 14.143 -26.098 1.00 0.00 N ATOM 551 CA GLN A 39 41.553 15.339 -25.301 1.00 0.00 C ATOM 552 C GLN A 39 40.220 15.240 -24.571 1.00 0.00 C ATOM 553 O GLN A 39 39.322 14.517 -25.002 1.00 0.00 O ATOM 554 CB GLN A 39 41.575 16.583 -26.191 1.00 0.00 C ATOM 555 CG GLN A 39 40.707 16.457 -27.433 1.00 0.00 C ATOM 556 CD GLN A 39 41.301 17.164 -28.636 1.00 0.00 C ATOM 557 OE1 GLN A 39 41.116 16.737 -29.775 1.00 0.00 O ATOM 558 NE2 GLN A 39 42.018 18.254 -28.388 1.00 0.00 N ATOM 0 H GLN A 39 41.028 13.905 -26.734 1.00 0.00 H new ATOM 0 HA GLN A 39 42.349 15.422 -24.561 1.00 0.00 H new ATOM 0 HB2 GLN A 39 41.240 17.442 -25.609 1.00 0.00 H new ATOM 0 HB3 GLN A 39 42.602 16.784 -26.495 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.568 15.402 -27.669 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.720 16.870 -27.225 1.00 0.00 H new ATOM 0 HE21 GLN A 39 42.146 18.573 -27.428 1.00 0.00 H new ATOM 0 HE22 GLN A 39 42.441 18.772 -29.158 1.00 0.00 H new ATOM 636 N GLN A 45 30.636 21.603 -16.663 1.00 0.00 N ATOM 637 CA GLN A 45 29.902 20.953 -15.583 1.00 0.00 C ATOM 638 C GLN A 45 28.458 20.684 -15.993 1.00 0.00 C ATOM 639 O GLN A 45 28.048 21.001 -17.109 1.00 0.00 O ATOM 640 CB GLN A 45 29.930 21.820 -14.321 1.00 0.00 C ATOM 641 CG GLN A 45 31.332 22.183 -13.860 1.00 0.00 C ATOM 642 CD GLN A 45 31.458 22.212 -12.349 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.491 21.837 -11.794 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.405 22.659 -11.674 1.00 0.00 N ATOM 0 HA GLN A 45 30.387 20.000 -15.372 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.370 22.736 -14.508 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.418 21.292 -13.517 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.042 21.463 -14.267 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.602 23.159 -14.263 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.569 22.960 -12.174 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.433 22.701 -10.655 1.00 0.00 H new ATOM 653 N THR A 46 27.692 20.100 -15.079 1.00 0.00 N ATOM 654 CA THR A 46 26.291 19.789 -15.338 1.00 0.00 C ATOM 655 C THR A 46 25.392 20.402 -14.272 1.00 0.00 C ATOM 656 O THR A 46 25.873 20.885 -13.247 1.00 0.00 O ATOM 657 CB THR A 46 26.050 18.269 -15.386 1.00 0.00 C ATOM 658 OG1 THR A 46 26.972 17.598 -14.520 1.00 0.00 O ATOM 659 CG2 THR A 46 26.204 17.740 -16.804 1.00 0.00 C ATOM 0 H THR A 46 28.018 19.832 -14.150 1.00 0.00 H new ATOM 0 HA THR A 46 26.045 20.216 -16.310 1.00 0.00 H new ATOM 0 HB THR A 46 25.031 18.076 -15.051 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.810 16.632 -14.555 1.00 0.00 H new ATOM 0 HG21 THR A 46 26.029 16.664 -16.812 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.481 18.230 -17.456 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.213 17.946 -17.162 1.00 0.00 H new ATOM 667 N TYR A 47 24.087 20.382 -14.520 1.00 0.00 N ATOM 668 CA TYR A 47 23.126 20.941 -13.577 1.00 0.00 C ATOM 669 C TYR A 47 21.705 20.857 -14.125 1.00 0.00 C ATOM 670 O TYR A 47 21.499 20.732 -15.333 1.00 0.00 O ATOM 671 CB TYR A 47 23.473 22.399 -13.275 1.00 0.00 C ATOM 672 CG TYR A 47 23.064 23.352 -14.375 1.00 0.00 C ATOM 673 CD1 TYR A 47 21.784 23.889 -14.413 1.00 0.00 C ATOM 674 CD2 TYR A 47 23.957 23.713 -15.377 1.00 0.00 C ATOM 675 CE1 TYR A 47 21.404 24.756 -15.419 1.00 0.00 C ATOM 676 CE2 TYR A 47 23.584 24.581 -16.386 1.00 0.00 C ATOM 677 CZ TYR A 47 22.306 25.099 -16.402 1.00 0.00 C ATOM 678 OH TYR A 47 21.930 25.963 -17.405 1.00 0.00 O ATOM 0 H TYR A 47 23.672 19.986 -15.363 1.00 0.00 H new ATOM 0 HA TYR A 47 23.178 20.356 -12.659 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.985 22.696 -12.347 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.547 22.483 -13.112 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.074 23.624 -13.643 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.958 23.309 -15.367 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.404 25.163 -15.435 1.00 0.00 H new ATOM 0 HE2 TYR A 47 24.289 24.852 -17.158 1.00 0.00 H new ATOM 0 HH TYR A 47 22.683 26.102 -18.017 1.00 0.00 H new ATOM 688 N GLY A 48 20.728 20.933 -13.227 1.00 0.00 N ATOM 689 CA GLY A 48 19.336 20.873 -13.632 1.00 0.00 C ATOM 690 C GLY A 48 19.017 19.633 -14.440 1.00 0.00 C ATOM 691 O GLY A 48 19.588 18.567 -14.209 1.00 0.00 O ATOM 0 H GLY A 48 20.877 21.035 -12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.702 20.897 -12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.094 21.758 -14.221 1.00 0.00 H new ATOM 695 N GLY A 49 18.098 19.773 -15.390 1.00 0.00 N ATOM 696 CA GLY A 49 17.714 18.649 -16.221 1.00 0.00 C ATOM 697 C GLY A 49 16.656 17.782 -15.567 1.00 0.00 C ATOM 698 O GLY A 49 15.925 18.241 -14.688 1.00 0.00 O ATOM 0 H GLY A 49 17.613 20.646 -15.599 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.339 19.018 -17.176 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.594 18.043 -16.437 1.00 0.00 H new ATOM 702 N ASN A 50 16.576 16.526 -15.992 1.00 0.00 N ATOM 703 CA ASN A 50 15.601 15.595 -15.437 1.00 0.00 C ATOM 704 C ASN A 50 16.125 14.972 -14.148 1.00 0.00 C ATOM 705 O ASN A 50 15.365 14.398 -13.369 1.00 0.00 O ATOM 706 CB ASN A 50 15.275 14.499 -16.454 1.00 0.00 C ATOM 707 CG ASN A 50 14.085 13.657 -16.036 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.249 13.293 -17.001 1.00 0.00 O flip ATOM 709 ND2 ASN A 50 13.919 13.335 -14.860 1.00 0.00 N flip ATOM 0 H ASN A 50 17.173 16.130 -16.718 1.00 0.00 H new ATOM 0 HA ASN A 50 14.690 16.149 -15.209 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.071 14.955 -17.423 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.145 13.855 -16.582 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.586 13.636 -14.150 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.114 12.767 -14.596 1.00 0.00 H new ATOM 716 N SER A 51 17.430 15.095 -13.930 1.00 0.00 N ATOM 717 CA SER A 51 18.060 14.547 -12.736 1.00 0.00 C ATOM 718 C SER A 51 18.313 15.639 -11.702 1.00 0.00 C ATOM 719 O SER A 51 17.502 15.859 -10.803 1.00 0.00 O ATOM 720 CB SER A 51 19.376 13.855 -13.099 1.00 0.00 C ATOM 721 OG SER A 51 20.051 13.401 -11.937 1.00 0.00 O ATOM 0 H SER A 51 18.072 15.570 -14.565 1.00 0.00 H new ATOM 0 HA SER A 51 17.380 13.814 -12.302 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.177 13.012 -13.761 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.015 14.547 -13.648 1.00 0.00 H new ATOM 0 HG SER A 51 20.444 12.520 -12.110 1.00 0.00 H new ATOM 727 N ASN A 52 19.446 16.320 -11.837 1.00 0.00 N ATOM 728 CA ASN A 52 19.812 17.389 -10.916 1.00 0.00 C ATOM 729 C ASN A 52 21.219 17.897 -11.213 1.00 0.00 C ATOM 730 O ASN A 52 21.525 19.071 -11.002 1.00 0.00 O ATOM 731 CB ASN A 52 19.731 16.893 -9.473 1.00 0.00 C ATOM 732 CG ASN A 52 19.189 17.947 -8.526 1.00 0.00 C ATOM 733 OD1 ASN A 52 18.147 17.757 -7.898 1.00 0.00 O ATOM 734 ND2 ASN A 52 19.894 19.066 -8.420 1.00 0.00 N ATOM 0 H ASN A 52 20.127 16.150 -12.577 1.00 0.00 H new ATOM 0 HA ASN A 52 19.110 18.212 -11.050 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.094 16.009 -9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.723 16.587 -9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 52 19.578 19.811 -7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.752 19.181 -8.959 1.00 0.00 H new ATOM 741 N GLY A 53 22.071 17.004 -11.707 1.00 0.00 N ATOM 742 CA GLY A 53 23.435 17.375 -12.027 1.00 0.00 C ATOM 743 C GLY A 53 24.380 16.189 -11.997 1.00 0.00 C ATOM 744 O GLY A 53 25.522 16.308 -11.554 1.00 0.00 O ATOM 0 H GLY A 53 21.839 16.028 -11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.462 17.832 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.779 18.128 -11.318 1.00 0.00 H new ATOM 748 N GLU A 54 23.901 15.041 -12.468 1.00 0.00 N ATOM 749 CA GLU A 54 24.710 13.828 -12.491 1.00 0.00 C ATOM 750 C GLU A 54 25.554 13.760 -13.759 1.00 0.00 C ATOM 751 O GLU A 54 25.350 14.532 -14.696 1.00 0.00 O ATOM 752 CB GLU A 54 23.816 12.591 -12.392 1.00 0.00 C ATOM 753 CG GLU A 54 23.232 12.371 -11.006 1.00 0.00 C ATOM 754 CD GLU A 54 24.147 12.867 -9.903 1.00 0.00 C ATOM 755 OE1 GLU A 54 25.227 12.269 -9.714 1.00 0.00 O ATOM 756 OE2 GLU A 54 23.784 13.854 -9.229 1.00 0.00 O ATOM 0 H GLU A 54 22.958 14.926 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 54 25.380 13.853 -11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.001 12.684 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.394 11.712 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.272 12.883 -10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.038 11.308 -10.862 1.00 0.00 H new ATOM 763 N PRO A 55 26.517 12.827 -13.801 1.00 0.00 N ATOM 764 CA PRO A 55 27.402 12.649 -14.957 1.00 0.00 C ATOM 765 C PRO A 55 26.626 12.335 -16.232 1.00 0.00 C ATOM 766 O PRO A 55 25.448 11.983 -16.181 1.00 0.00 O ATOM 767 CB PRO A 55 28.283 11.459 -14.561 1.00 0.00 C ATOM 768 CG PRO A 55 28.193 11.387 -13.076 1.00 0.00 C ATOM 769 CD PRO A 55 26.816 11.873 -12.723 1.00 0.00 C ATOM 0 HA PRO A 55 27.967 13.554 -15.178 1.00 0.00 H new ATOM 0 HB2 PRO A 55 27.930 10.537 -15.023 1.00 0.00 H new ATOM 0 HB3 PRO A 55 29.313 11.605 -14.887 1.00 0.00 H new ATOM 0 HG2 PRO A 55 28.349 10.367 -12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 55 28.958 12.007 -12.608 1.00 0.00 H new ATOM 0 HD2 PRO A 55 26.094 11.056 -12.695 1.00 0.00 H new ATOM 0 HD3 PRO A 55 26.795 12.351 -11.744 1.00 0.00 H new ATOM 777 N CYS A 56 27.292 12.465 -17.375 1.00 0.00 N ATOM 778 CA CYS A 56 26.659 12.195 -18.660 1.00 0.00 C ATOM 779 C CYS A 56 26.943 10.768 -19.122 1.00 0.00 C ATOM 780 O CYS A 56 27.689 10.033 -18.477 1.00 0.00 O ATOM 781 CB CYS A 56 27.142 13.193 -19.714 1.00 0.00 C ATOM 782 SG CYS A 56 27.375 14.886 -19.084 1.00 0.00 S ATOM 0 H CYS A 56 28.268 12.755 -17.437 1.00 0.00 H new ATOM 0 HA CYS A 56 25.582 12.307 -18.533 1.00 0.00 H new ATOM 0 HB2 CYS A 56 28.085 12.838 -20.129 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.423 13.217 -20.532 1.00 0.00 H new ATOM 787 N VAL A 57 26.337 10.386 -20.241 1.00 0.00 N ATOM 788 CA VAL A 57 26.517 9.049 -20.792 1.00 0.00 C ATOM 789 C VAL A 57 26.682 9.096 -22.307 1.00 0.00 C ATOM 790 O VAL A 57 25.865 8.549 -23.048 1.00 0.00 O ATOM 791 CB VAL A 57 25.324 8.138 -20.448 1.00 0.00 C ATOM 792 CG1 VAL A 57 24.072 8.602 -21.176 1.00 0.00 C ATOM 793 CG2 VAL A 57 25.642 6.690 -20.788 1.00 0.00 C ATOM 0 H VAL A 57 25.716 10.985 -20.785 1.00 0.00 H new ATOM 0 HA VAL A 57 27.422 8.640 -20.343 1.00 0.00 H new ATOM 0 HB VAL A 57 25.138 8.202 -19.376 1.00 0.00 H new ATOM 0 HG11 VAL A 57 23.239 7.947 -20.921 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.835 9.623 -20.877 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.243 8.569 -22.252 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.787 6.061 -20.538 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.856 6.605 -21.853 1.00 0.00 H new ATOM 0 HG23 VAL A 57 26.511 6.365 -20.217 1.00 0.00 H new ATOM 803 N LEU A 58 27.744 9.752 -22.760 1.00 0.00 N ATOM 804 CA LEU A 58 28.017 9.870 -24.189 1.00 0.00 C ATOM 805 C LEU A 58 29.214 9.012 -24.584 1.00 0.00 C ATOM 806 O LEU A 58 29.935 8.501 -23.727 1.00 0.00 O ATOM 807 CB LEU A 58 28.271 11.333 -24.577 1.00 0.00 C ATOM 808 CG LEU A 58 28.581 12.285 -23.418 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.404 12.367 -22.458 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.842 11.845 -22.690 1.00 0.00 C ATOM 0 H LEU A 58 28.430 10.210 -22.160 1.00 0.00 H new ATOM 0 HA LEU A 58 27.138 9.514 -24.727 1.00 0.00 H new ATOM 0 HB2 LEU A 58 29.103 11.364 -25.280 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.394 11.707 -25.105 1.00 0.00 H new ATOM 0 HG LEU A 58 28.752 13.280 -23.828 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.646 13.049 -21.643 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.526 12.734 -22.989 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.195 11.377 -22.053 1.00 0.00 H new ATOM 0 HD21 LEU A 58 30.047 12.533 -21.870 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.701 10.839 -22.294 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.682 11.847 -23.384 1.00 0.00 H new ATOM 822 N PRO A 59 29.439 8.845 -25.896 1.00 0.00 N ATOM 823 CA PRO A 59 28.594 9.445 -26.932 1.00 0.00 C ATOM 824 C PRO A 59 27.214 8.800 -27.004 1.00 0.00 C ATOM 825 O PRO A 59 27.092 7.580 -27.105 1.00 0.00 O ATOM 826 CB PRO A 59 29.372 9.181 -28.221 1.00 0.00 C ATOM 827 CG PRO A 59 30.189 7.972 -27.930 1.00 0.00 C ATOM 828 CD PRO A 59 30.542 8.053 -26.471 1.00 0.00 C ATOM 0 HA PRO A 59 28.404 10.501 -26.739 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.699 9.011 -29.062 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.002 10.031 -28.484 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.630 7.062 -28.146 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.087 7.949 -28.548 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.605 7.064 -26.017 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.507 8.537 -26.317 1.00 0.00 H new ATOM 836 N PHE A 60 26.178 9.630 -26.954 1.00 0.00 N ATOM 837 CA PHE A 60 24.806 9.143 -27.020 1.00 0.00 C ATOM 838 C PHE A 60 24.194 9.449 -28.381 1.00 0.00 C ATOM 839 O PHE A 60 24.881 9.911 -29.292 1.00 0.00 O ATOM 840 CB PHE A 60 23.965 9.787 -25.918 1.00 0.00 C ATOM 841 CG PHE A 60 24.089 11.281 -25.879 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.261 12.079 -26.652 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.041 11.888 -25.076 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.379 13.456 -26.622 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.165 13.263 -25.044 1.00 0.00 C ATOM 846 CZ PHE A 60 24.333 14.048 -25.817 1.00 0.00 C ATOM 0 H PHE A 60 26.263 10.643 -26.868 1.00 0.00 H new ATOM 0 HA PHE A 60 24.818 8.063 -26.876 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.919 9.519 -26.065 1.00 0.00 H new ATOM 0 HB3 PHE A 60 24.267 9.378 -24.954 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.516 11.620 -27.285 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.694 11.279 -24.468 1.00 0.00 H new ATOM 0 HE1 PHE A 60 22.726 14.068 -27.227 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.912 13.724 -24.415 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.428 15.124 -25.792 1.00 0.00 H new ATOM 856 N THR A 61 22.897 9.195 -28.514 1.00 0.00 N ATOM 857 CA THR A 61 22.195 9.449 -29.765 1.00 0.00 C ATOM 858 C THR A 61 20.916 10.242 -29.524 1.00 0.00 C ATOM 859 O THR A 61 20.052 9.824 -28.753 1.00 0.00 O ATOM 860 CB THR A 61 21.842 8.136 -30.488 1.00 0.00 C ATOM 861 OG1 THR A 61 22.780 7.113 -30.135 1.00 0.00 O ATOM 862 CG2 THR A 61 21.845 8.332 -31.996 1.00 0.00 C ATOM 0 H THR A 61 22.311 8.814 -27.771 1.00 0.00 H new ATOM 0 HA THR A 61 22.869 10.031 -30.394 1.00 0.00 H new ATOM 0 HB THR A 61 20.842 7.834 -30.177 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.547 6.281 -30.598 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.593 7.391 -32.486 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.110 9.090 -32.266 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.835 8.655 -32.319 1.00 0.00 H new ATOM 870 N TYR A 62 20.799 11.386 -30.188 1.00 0.00 N ATOM 871 CA TYR A 62 19.621 12.236 -30.047 1.00 0.00 C ATOM 872 C TYR A 62 19.278 12.909 -31.371 1.00 0.00 C ATOM 873 O TYR A 62 20.153 13.441 -32.055 1.00 0.00 O ATOM 874 CB TYR A 62 19.848 13.297 -28.968 1.00 0.00 C ATOM 875 CG TYR A 62 18.734 14.317 -28.886 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.548 14.027 -28.223 1.00 0.00 C ATOM 877 CD2 TYR A 62 18.868 15.568 -29.475 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.528 14.956 -28.148 1.00 0.00 C ATOM 879 CE2 TYR A 62 17.851 16.503 -29.405 1.00 0.00 C ATOM 880 CZ TYR A 62 16.684 16.191 -28.741 1.00 0.00 C ATOM 881 OH TYR A 62 15.669 17.118 -28.669 1.00 0.00 O ATOM 0 H TYR A 62 21.505 11.747 -30.830 1.00 0.00 H new ATOM 0 HA TYR A 62 18.785 11.603 -29.749 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.952 12.805 -28.001 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.788 13.812 -29.167 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.421 13.060 -27.759 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.781 15.815 -29.996 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.613 14.716 -27.627 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.971 17.471 -29.868 1.00 0.00 H new ATOM 0 HH TYR A 62 15.682 17.680 -29.472 1.00 0.00 H new ATOM 891 N ASN A 63 18.000 12.881 -31.728 1.00 0.00 N ATOM 892 CA ASN A 63 17.543 13.486 -32.973 1.00 0.00 C ATOM 893 C ASN A 63 18.023 12.679 -34.176 1.00 0.00 C ATOM 894 O ASN A 63 17.825 13.079 -35.324 1.00 0.00 O ATOM 895 CB ASN A 63 18.043 14.928 -33.077 1.00 0.00 C ATOM 896 CG ASN A 63 16.908 15.929 -33.149 1.00 0.00 C ATOM 897 OD1 ASN A 63 15.806 15.605 -33.592 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.171 17.155 -32.712 1.00 0.00 N ATOM 0 H ASN A 63 17.262 12.446 -31.174 1.00 0.00 H new ATOM 0 HA ASN A 63 16.453 13.487 -32.970 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.670 15.155 -32.215 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.670 15.029 -33.963 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.445 17.871 -32.736 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.099 17.380 -32.353 1.00 0.00 H new ATOM 905 N GLY A 64 18.654 11.539 -33.906 1.00 0.00 N ATOM 906 CA GLY A 64 19.149 10.694 -34.975 1.00 0.00 C ATOM 907 C GLY A 64 20.655 10.772 -35.127 1.00 0.00 C ATOM 908 O GLY A 64 21.257 9.959 -35.829 1.00 0.00 O ATOM 0 H GLY A 64 18.830 11.187 -32.965 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.860 9.661 -34.781 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.677 10.986 -35.913 1.00 0.00 H new ATOM 912 N ARG A 65 21.267 11.752 -34.469 1.00 0.00 N ATOM 913 CA ARG A 65 22.712 11.930 -34.539 1.00 0.00 C ATOM 914 C ARG A 65 23.384 11.453 -33.254 1.00 0.00 C ATOM 915 O ARG A 65 22.763 10.781 -32.431 1.00 0.00 O ATOM 916 CB ARG A 65 23.052 13.399 -34.799 1.00 0.00 C ATOM 917 CG ARG A 65 22.566 14.341 -33.711 1.00 0.00 C ATOM 918 CD ARG A 65 21.521 15.310 -34.238 1.00 0.00 C ATOM 919 NE ARG A 65 20.685 14.697 -35.263 1.00 0.00 N ATOM 920 CZ ARG A 65 19.832 15.375 -36.023 1.00 0.00 C ATOM 921 NH1 ARG A 65 19.712 16.689 -35.880 1.00 0.00 N ATOM 922 NH2 ARG A 65 19.099 14.742 -36.929 1.00 0.00 N ATOM 0 H ARG A 65 20.785 12.433 -33.883 1.00 0.00 H new ATOM 0 HA ARG A 65 23.089 11.327 -35.365 1.00 0.00 H new ATOM 0 HB2 ARG A 65 24.133 13.500 -34.899 1.00 0.00 H new ATOM 0 HB3 ARG A 65 22.614 13.701 -35.751 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.145 13.762 -32.889 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.411 14.899 -33.308 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.894 15.653 -33.415 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.015 16.190 -34.650 1.00 0.00 H new ATOM 0 HE ARG A 65 20.759 13.690 -35.405 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.275 17.180 -35.186 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.057 17.208 -36.464 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.189 13.732 -37.043 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.445 15.265 -37.511 1.00 0.00 H new ATOM 936 N THR A 66 24.657 11.800 -33.092 1.00 0.00 N ATOM 937 CA THR A 66 25.413 11.402 -31.909 1.00 0.00 C ATOM 938 C THR A 66 26.173 12.583 -31.314 1.00 0.00 C ATOM 939 O THR A 66 26.508 13.536 -32.018 1.00 0.00 O ATOM 940 CB THR A 66 26.416 10.279 -32.237 1.00 0.00 C ATOM 941 OG1 THR A 66 25.871 9.408 -33.236 1.00 0.00 O ATOM 942 CG2 THR A 66 26.759 9.474 -30.993 1.00 0.00 C ATOM 0 H THR A 66 25.186 12.355 -33.764 1.00 0.00 H new ATOM 0 HA THR A 66 24.688 11.036 -31.182 1.00 0.00 H new ATOM 0 HB THR A 66 27.328 10.741 -32.615 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.516 8.699 -33.439 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.468 8.688 -31.252 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.203 10.131 -30.245 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.852 9.025 -30.589 1.00 0.00 H new ATOM 950 N PHE A 67 26.442 12.517 -30.013 1.00 0.00 N ATOM 951 CA PHE A 67 27.161 13.585 -29.328 1.00 0.00 C ATOM 952 C PHE A 67 28.095 13.021 -28.260 1.00 0.00 C ATOM 953 O PHE A 67 27.650 12.373 -27.313 1.00 0.00 O ATOM 954 CB PHE A 67 26.175 14.561 -28.687 1.00 0.00 C ATOM 955 CG PHE A 67 24.976 14.854 -29.542 1.00 0.00 C ATOM 956 CD1 PHE A 67 23.977 13.908 -29.704 1.00 0.00 C ATOM 957 CD2 PHE A 67 24.848 16.074 -30.185 1.00 0.00 C ATOM 958 CE1 PHE A 67 22.871 14.175 -30.490 1.00 0.00 C ATOM 959 CE2 PHE A 67 23.746 16.347 -30.972 1.00 0.00 C ATOM 960 CZ PHE A 67 22.757 15.396 -31.125 1.00 0.00 C ATOM 0 H PHE A 67 26.173 11.737 -29.414 1.00 0.00 H new ATOM 0 HA PHE A 67 27.762 14.113 -30.069 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.840 14.152 -27.734 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.692 15.495 -28.469 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.063 12.951 -29.211 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.619 16.821 -30.070 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.098 13.430 -30.607 1.00 0.00 H new ATOM 0 HE2 PHE A 67 23.658 17.303 -31.467 1.00 0.00 H new ATOM 0 HZ PHE A 67 21.895 15.607 -31.741 1.00 0.00 H new ATOM 970 N TYR A 68 29.390 13.280 -28.416 1.00 0.00 N ATOM 971 CA TYR A 68 30.383 12.805 -27.462 1.00 0.00 C ATOM 972 C TYR A 68 30.470 13.742 -26.258 1.00 0.00 C ATOM 973 O TYR A 68 31.367 13.615 -25.424 1.00 0.00 O ATOM 974 CB TYR A 68 31.751 12.689 -28.140 1.00 0.00 C ATOM 975 CG TYR A 68 31.856 11.522 -29.099 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.929 11.349 -30.119 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.880 10.591 -28.981 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.020 10.282 -30.993 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.980 9.523 -29.850 1.00 0.00 C ATOM 980 CZ TYR A 68 32.047 9.372 -30.854 1.00 0.00 C ATOM 981 OH TYR A 68 32.142 8.308 -31.723 1.00 0.00 O ATOM 0 H TYR A 68 29.775 13.816 -29.194 1.00 0.00 H new ATOM 0 HA TYR A 68 30.077 11.820 -27.109 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.959 13.612 -28.681 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.520 12.589 -27.374 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.124 12.060 -30.231 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.612 10.705 -28.195 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.291 10.162 -31.781 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.784 8.810 -29.744 1.00 0.00 H new ATOM 0 HH TYR A 68 32.922 7.763 -31.488 1.00 0.00 H new ATOM 991 N SER A 69 29.531 14.682 -26.175 1.00 0.00 N ATOM 992 CA SER A 69 29.501 15.638 -25.073 1.00 0.00 C ATOM 993 C SER A 69 28.209 16.450 -25.093 1.00 0.00 C ATOM 994 O SER A 69 27.294 16.160 -25.865 1.00 0.00 O ATOM 995 CB SER A 69 30.709 16.573 -25.152 1.00 0.00 C ATOM 996 OG SER A 69 31.588 16.185 -26.192 1.00 0.00 O ATOM 0 H SER A 69 28.782 14.801 -26.857 1.00 0.00 H new ATOM 0 HA SER A 69 29.542 15.081 -24.137 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.371 17.595 -25.320 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.241 16.566 -24.201 1.00 0.00 H new ATOM 0 HG SER A 69 32.351 16.799 -26.222 1.00 0.00 H new ATOM 1002 N CYS A 70 28.140 17.467 -24.239 1.00 0.00 N ATOM 1003 CA CYS A 70 26.960 18.321 -24.157 1.00 0.00 C ATOM 1004 C CYS A 70 26.526 18.789 -25.543 1.00 0.00 C ATOM 1005 O CYS A 70 27.235 18.581 -26.528 1.00 0.00 O ATOM 1006 CB CYS A 70 27.241 19.531 -23.263 1.00 0.00 C ATOM 1007 SG CYS A 70 28.201 19.147 -21.762 1.00 0.00 S ATOM 0 H CYS A 70 28.888 17.720 -23.594 1.00 0.00 H new ATOM 0 HA CYS A 70 26.150 17.735 -23.722 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.780 20.280 -23.843 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.292 19.979 -22.969 1.00 0.00 H new ATOM 1012 N THR A 71 25.358 19.421 -25.612 1.00 0.00 N ATOM 1013 CA THR A 71 24.835 19.920 -26.878 1.00 0.00 C ATOM 1014 C THR A 71 23.484 20.603 -26.691 1.00 0.00 C ATOM 1015 O THR A 71 22.734 20.279 -25.769 1.00 0.00 O ATOM 1016 CB THR A 71 24.687 18.786 -27.914 1.00 0.00 C ATOM 1017 OG1 THR A 71 24.684 19.331 -29.239 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.403 17.998 -27.687 1.00 0.00 C ATOM 0 H THR A 71 24.757 19.599 -24.807 1.00 0.00 H new ATOM 0 HA THR A 71 25.556 20.649 -27.248 1.00 0.00 H new ATOM 0 HB THR A 71 25.534 18.110 -27.796 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.681 18.601 -29.893 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.326 17.206 -28.432 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.417 17.558 -26.690 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.546 18.665 -27.777 1.00 0.00 H new ATOM 1026 N THR A 72 23.179 21.547 -27.574 1.00 0.00 N ATOM 1027 CA THR A 72 21.917 22.273 -27.514 1.00 0.00 C ATOM 1028 C THR A 72 21.132 22.096 -28.809 1.00 0.00 C ATOM 1029 O THR A 72 20.829 23.066 -29.503 1.00 0.00 O ATOM 1030 CB THR A 72 22.147 23.775 -27.261 1.00 0.00 C ATOM 1031 OG1 THR A 72 23.446 24.159 -27.728 1.00 0.00 O ATOM 1032 CG2 THR A 72 22.022 24.100 -25.779 1.00 0.00 C ATOM 0 H THR A 72 23.790 21.828 -28.341 1.00 0.00 H new ATOM 0 HA THR A 72 21.345 21.860 -26.683 1.00 0.00 H new ATOM 0 HB THR A 72 21.385 24.332 -27.806 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.583 25.116 -27.565 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.188 25.166 -25.625 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.024 23.835 -25.431 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.764 23.532 -25.218 1.00 0.00 H new ATOM 1040 N GLU A 73 20.817 20.845 -29.133 1.00 0.00 N ATOM 1041 CA GLU A 73 20.078 20.527 -30.350 1.00 0.00 C ATOM 1042 C GLU A 73 18.654 20.086 -30.034 1.00 0.00 C ATOM 1043 O GLU A 73 17.948 19.564 -30.897 1.00 0.00 O ATOM 1044 CB GLU A 73 20.798 19.424 -31.121 1.00 0.00 C ATOM 1045 CG GLU A 73 22.180 19.824 -31.610 1.00 0.00 C ATOM 1046 CD GLU A 73 22.272 21.298 -31.952 1.00 0.00 C ATOM 1047 OE1 GLU A 73 21.633 21.719 -32.940 1.00 0.00 O ATOM 1048 OE2 GLU A 73 22.981 22.032 -31.233 1.00 0.00 O ATOM 0 H GLU A 73 21.063 20.033 -28.567 1.00 0.00 H new ATOM 0 HA GLU A 73 20.028 21.429 -30.959 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.888 18.546 -30.482 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.189 19.134 -31.977 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.916 19.586 -30.842 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.435 19.234 -32.490 1.00 0.00 H new ATOM 1055 N GLY A 74 18.237 20.301 -28.794 1.00 0.00 N ATOM 1056 CA GLY A 74 16.900 19.921 -28.381 1.00 0.00 C ATOM 1057 C GLY A 74 16.496 20.609 -27.097 1.00 0.00 C ATOM 1058 O GLY A 74 15.884 20.002 -26.218 1.00 0.00 O ATOM 0 H GLY A 74 18.803 20.733 -28.064 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.190 20.174 -29.168 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.854 18.840 -28.245 1.00 0.00 H new ATOM 1122 N HIS A 79 20.397 26.168 -23.431 1.00 0.00 N ATOM 1123 CA HIS A 79 21.384 25.748 -22.442 1.00 0.00 C ATOM 1124 C HIS A 79 21.917 24.356 -22.767 1.00 0.00 C ATOM 1125 O HIS A 79 21.147 23.411 -22.942 1.00 0.00 O ATOM 1126 CB HIS A 79 20.770 25.755 -21.040 1.00 0.00 C ATOM 1127 CG HIS A 79 19.908 26.951 -20.770 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.157 28.196 -21.306 1.00 0.00 N ATOM 1129 CD2 HIS A 79 18.793 27.085 -20.013 1.00 0.00 C ATOM 1130 CE1 HIS A 79 19.234 29.045 -20.892 1.00 0.00 C ATOM 1131 NE2 HIS A 79 18.395 28.396 -20.106 1.00 0.00 N ATOM 0 HA HIS A 79 22.214 26.454 -22.471 1.00 0.00 H new ATOM 0 HB2 HIS A 79 20.175 24.851 -20.908 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.571 25.720 -20.301 1.00 0.00 H new ATOM 0 HD2 HIS A 79 18.308 26.307 -19.443 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.176 30.092 -21.152 1.00 0.00 H new ATOM 0 HE2 HIS A 79 17.582 28.803 -19.643 1.00 0.00 H new ATOM 1140 N LEU A 80 23.239 24.233 -22.841 1.00 0.00 N ATOM 1141 CA LEU A 80 23.869 22.956 -23.140 1.00 0.00 C ATOM 1142 C LEU A 80 23.325 21.865 -22.225 1.00 0.00 C ATOM 1143 O LEU A 80 22.982 22.126 -21.072 1.00 0.00 O ATOM 1144 CB LEU A 80 25.385 23.065 -22.975 1.00 0.00 C ATOM 1145 CG LEU A 80 26.110 23.828 -24.087 1.00 0.00 C ATOM 1146 CD1 LEU A 80 25.478 25.194 -24.300 1.00 0.00 C ATOM 1147 CD2 LEU A 80 27.589 23.969 -23.755 1.00 0.00 C ATOM 0 H LEU A 80 23.892 25.003 -22.698 1.00 0.00 H new ATOM 0 HA LEU A 80 23.641 22.692 -24.173 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.596 23.554 -22.024 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.801 22.059 -22.916 1.00 0.00 H new ATOM 0 HG LEU A 80 26.015 23.261 -25.013 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.008 25.720 -25.094 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.432 25.071 -24.581 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.540 25.772 -23.378 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.091 24.513 -24.555 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.701 24.515 -22.818 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.035 22.980 -23.654 1.00 0.00 H new ATOM 1159 N TRP A 81 23.243 20.645 -22.743 1.00 0.00 N ATOM 1160 CA TRP A 81 22.735 19.524 -21.963 1.00 0.00 C ATOM 1161 C TRP A 81 23.339 18.205 -22.430 1.00 0.00 C ATOM 1162 O TRP A 81 23.646 18.031 -23.610 1.00 0.00 O ATOM 1163 CB TRP A 81 21.210 19.459 -22.063 1.00 0.00 C ATOM 1164 CG TRP A 81 20.717 19.300 -23.468 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.446 20.299 -24.358 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.437 18.071 -24.146 1.00 0.00 C ATOM 1167 NE1 TRP A 81 20.013 19.765 -25.548 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.999 18.399 -25.443 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.515 16.723 -23.782 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.641 17.430 -26.376 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.158 15.762 -24.709 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.727 16.119 -25.992 1.00 0.00 C ATOM 0 H TRP A 81 23.520 20.408 -23.695 1.00 0.00 H new ATOM 0 HA TRP A 81 23.024 19.683 -20.924 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.848 18.625 -21.461 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.785 20.368 -21.636 1.00 0.00 H new ATOM 0 HD1 TRP A 81 20.556 21.354 -24.156 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.746 20.299 -26.375 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.848 16.438 -22.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.308 17.703 -27.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.213 14.718 -24.439 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.457 15.344 -26.694 1.00 0.00 H new ATOM 1183 N CYS A 82 23.501 17.277 -21.492 1.00 0.00 N ATOM 1184 CA CYS A 82 24.061 15.966 -21.796 1.00 0.00 C ATOM 1185 C CYS A 82 23.193 14.863 -21.201 1.00 0.00 C ATOM 1186 O CYS A 82 22.506 15.076 -20.202 1.00 0.00 O ATOM 1187 CB CYS A 82 25.488 15.858 -21.254 1.00 0.00 C ATOM 1188 SG CYS A 82 25.588 15.783 -19.436 1.00 0.00 S ATOM 0 H CYS A 82 23.251 17.410 -20.512 1.00 0.00 H new ATOM 0 HA CYS A 82 24.085 15.846 -22.879 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.957 14.967 -21.670 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.064 16.714 -21.604 1.00 0.00 H new ATOM 1193 N SER A 83 23.229 13.688 -21.816 1.00 0.00 N ATOM 1194 CA SER A 83 22.443 12.556 -21.339 1.00 0.00 C ATOM 1195 C SER A 83 23.140 11.869 -20.170 1.00 0.00 C ATOM 1196 O SER A 83 24.364 11.773 -20.139 1.00 0.00 O ATOM 1197 CB SER A 83 22.209 11.554 -22.472 1.00 0.00 C ATOM 1198 OG SER A 83 23.431 11.176 -23.079 1.00 0.00 O ATOM 0 H SER A 83 23.792 13.493 -22.644 1.00 0.00 H new ATOM 0 HA SER A 83 21.479 12.932 -20.995 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.705 10.670 -22.081 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.549 11.993 -23.220 1.00 0.00 H new ATOM 0 HG SER A 83 23.607 11.757 -23.849 1.00 0.00 H new ATOM 1204 N THR A 84 22.353 11.394 -19.210 1.00 0.00 N ATOM 1205 CA THR A 84 22.901 10.716 -18.041 1.00 0.00 C ATOM 1206 C THR A 84 22.772 9.203 -18.178 1.00 0.00 C ATOM 1207 O THR A 84 23.547 8.447 -17.594 1.00 0.00 O ATOM 1208 CB THR A 84 22.194 11.165 -16.748 1.00 0.00 C ATOM 1209 OG1 THR A 84 20.804 10.824 -16.803 1.00 0.00 O ATOM 1210 CG2 THR A 84 22.347 12.664 -16.536 1.00 0.00 C ATOM 0 H THR A 84 21.336 11.466 -19.218 1.00 0.00 H new ATOM 0 HA THR A 84 23.955 10.987 -17.981 1.00 0.00 H new ATOM 0 HB THR A 84 22.661 10.648 -15.910 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.504 10.822 -17.736 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.839 12.955 -15.617 1.00 0.00 H new ATOM 0 HG22 THR A 84 23.405 12.915 -16.461 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.907 13.197 -17.378 1.00 0.00 H new ATOM 1218 N THR A 85 21.786 8.769 -18.956 1.00 0.00 N ATOM 1219 CA THR A 85 21.552 7.347 -19.174 1.00 0.00 C ATOM 1220 C THR A 85 21.580 7.015 -20.662 1.00 0.00 C ATOM 1221 O THR A 85 21.039 7.755 -21.482 1.00 0.00 O ATOM 1222 CB THR A 85 20.198 6.908 -18.585 1.00 0.00 C ATOM 1223 OG1 THR A 85 20.256 6.927 -17.155 1.00 0.00 O ATOM 1224 CG2 THR A 85 19.824 5.513 -19.063 1.00 0.00 C ATOM 0 H THR A 85 21.136 9.383 -19.446 1.00 0.00 H new ATOM 0 HA THR A 85 22.352 6.807 -18.667 1.00 0.00 H new ATOM 0 HB THR A 85 19.436 7.608 -18.927 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.391 6.648 -16.789 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.864 5.226 -18.633 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.750 5.509 -20.151 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.589 4.803 -18.748 1.00 0.00 H new ATOM 1232 N SER A 86 22.213 5.896 -21.006 1.00 0.00 N ATOM 1233 CA SER A 86 22.307 5.473 -22.399 1.00 0.00 C ATOM 1234 C SER A 86 20.947 5.565 -23.082 1.00 0.00 C ATOM 1235 O SER A 86 20.843 6.004 -24.228 1.00 0.00 O ATOM 1236 CB SER A 86 22.840 4.041 -22.488 1.00 0.00 C ATOM 1237 OG SER A 86 22.747 3.541 -23.811 1.00 0.00 O ATOM 0 H SER A 86 22.666 5.269 -20.342 1.00 0.00 H new ATOM 0 HA SER A 86 23.000 6.140 -22.911 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.879 4.016 -22.159 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.276 3.398 -21.813 1.00 0.00 H new ATOM 0 HG SER A 86 23.095 2.626 -23.840 1.00 0.00 H new ATOM 1243 N ASN A 87 19.908 5.152 -22.366 1.00 0.00 N ATOM 1244 CA ASN A 87 18.551 5.188 -22.896 1.00 0.00 C ATOM 1245 C ASN A 87 17.825 6.447 -22.436 1.00 0.00 C ATOM 1246 O ASN A 87 16.908 6.381 -21.618 1.00 0.00 O ATOM 1247 CB ASN A 87 17.773 3.950 -22.447 1.00 0.00 C ATOM 1248 CG ASN A 87 16.966 3.333 -23.572 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.811 3.926 -24.640 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.446 2.134 -23.336 1.00 0.00 N ATOM 0 H ASN A 87 19.980 4.788 -21.416 1.00 0.00 H new ATOM 0 HA ASN A 87 18.612 5.197 -23.984 1.00 0.00 H new ATOM 0 HB2 ASN A 87 18.470 3.209 -22.055 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.104 4.221 -21.630 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.893 1.668 -24.055 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.600 1.679 -22.436 1.00 0.00 H new ATOM 1257 N TYR A 88 18.236 7.593 -22.969 1.00 0.00 N ATOM 1258 CA TYR A 88 17.615 8.859 -22.611 1.00 0.00 C ATOM 1259 C TYR A 88 16.255 8.986 -23.280 1.00 0.00 C ATOM 1260 O TYR A 88 15.357 9.656 -22.770 1.00 0.00 O ATOM 1261 CB TYR A 88 18.511 10.030 -23.021 1.00 0.00 C ATOM 1262 CG TYR A 88 17.767 11.339 -23.153 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.519 12.135 -22.041 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.308 11.777 -24.388 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.835 13.329 -22.157 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.625 12.972 -24.513 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.391 13.744 -23.396 1.00 0.00 C ATOM 1268 OH TYR A 88 15.711 14.934 -23.515 1.00 0.00 O ATOM 0 H TYR A 88 18.994 7.669 -23.648 1.00 0.00 H new ATOM 0 HA TYR A 88 17.481 8.883 -21.530 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.305 10.145 -22.284 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.990 9.796 -23.972 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.867 11.814 -21.070 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.488 11.174 -25.266 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.648 13.935 -21.283 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.276 13.299 -25.481 1.00 0.00 H new ATOM 0 HH TYR A 88 15.469 15.080 -24.453 1.00 0.00 H new ATOM 1278 N GLU A 89 16.110 8.333 -24.427 1.00 0.00 N ATOM 1279 CA GLU A 89 14.860 8.365 -25.168 1.00 0.00 C ATOM 1280 C GLU A 89 13.790 7.539 -24.462 1.00 0.00 C ATOM 1281 O GLU A 89 12.619 7.565 -24.842 1.00 0.00 O ATOM 1282 CB GLU A 89 15.069 7.843 -26.590 1.00 0.00 C ATOM 1283 CG GLU A 89 16.201 8.534 -27.333 1.00 0.00 C ATOM 1284 CD GLU A 89 16.517 7.871 -28.661 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.732 7.000 -29.090 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.548 8.225 -29.269 1.00 0.00 O ATOM 0 H GLU A 89 16.845 7.775 -24.862 1.00 0.00 H new ATOM 0 HA GLU A 89 14.522 9.400 -25.217 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.273 6.773 -26.549 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.145 7.970 -27.154 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.934 9.577 -27.506 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.095 8.533 -26.709 1.00 0.00 H new ATOM 1293 N GLN A 90 14.201 6.806 -23.431 1.00 0.00 N ATOM 1294 CA GLN A 90 13.278 5.971 -22.672 1.00 0.00 C ATOM 1295 C GLN A 90 13.246 6.393 -21.205 1.00 0.00 C ATOM 1296 O GLN A 90 12.178 6.510 -20.605 1.00 0.00 O ATOM 1297 CB GLN A 90 13.684 4.497 -22.795 1.00 0.00 C ATOM 1298 CG GLN A 90 13.313 3.648 -21.587 1.00 0.00 C ATOM 1299 CD GLN A 90 11.819 3.405 -21.483 1.00 0.00 C ATOM 1300 OE1 GLN A 90 11.290 2.465 -22.074 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.133 4.254 -20.727 1.00 0.00 N ATOM 0 H GLN A 90 15.166 6.774 -23.103 1.00 0.00 H new ATOM 0 HA GLN A 90 12.277 6.099 -23.083 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.212 4.074 -23.682 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.762 4.440 -22.949 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.830 2.690 -21.648 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.661 4.141 -20.680 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.614 5.020 -20.255 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.125 4.140 -20.618 1.00 0.00 H new ATOM 1310 N ASP A 91 14.425 6.613 -20.637 1.00 0.00 N ATOM 1311 CA ASP A 91 14.536 7.015 -19.239 1.00 0.00 C ATOM 1312 C ASP A 91 14.197 8.490 -19.067 1.00 0.00 C ATOM 1313 O ASP A 91 13.516 8.875 -18.115 1.00 0.00 O ATOM 1314 CB ASP A 91 15.948 6.740 -18.718 1.00 0.00 C ATOM 1315 CG ASP A 91 15.976 5.642 -17.674 1.00 0.00 C ATOM 1316 OD1 ASP A 91 15.339 5.814 -16.613 1.00 0.00 O ATOM 1317 OD2 ASP A 91 16.636 4.609 -17.916 1.00 0.00 O ATOM 0 H ASP A 91 15.318 6.520 -21.122 1.00 0.00 H new ATOM 0 HA ASP A 91 13.822 6.428 -18.661 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.592 6.461 -19.552 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.359 7.655 -18.290 1.00 0.00 H new ATOM 1322 N GLN A 92 14.677 9.313 -19.991 1.00 0.00 N ATOM 1323 CA GLN A 92 14.426 10.748 -19.942 1.00 0.00 C ATOM 1324 C GLN A 92 15.318 11.421 -18.905 1.00 0.00 C ATOM 1325 O GLN A 92 15.043 12.537 -18.465 1.00 0.00 O ATOM 1326 CB GLN A 92 12.955 11.018 -19.617 1.00 0.00 C ATOM 1327 CG GLN A 92 12.444 12.341 -20.161 1.00 0.00 C ATOM 1328 CD GLN A 92 12.193 12.299 -21.655 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.919 12.913 -22.436 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.158 11.570 -22.061 1.00 0.00 N ATOM 0 H GLN A 92 15.243 9.011 -20.784 1.00 0.00 H new ATOM 0 HA GLN A 92 14.658 11.166 -20.921 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.348 10.209 -20.023 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.822 11.004 -18.535 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.520 12.608 -19.648 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.169 13.125 -19.940 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.582 11.077 -21.378 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.940 11.504 -23.055 1.00 0.00 H new ATOM 1339 N LYS A 93 16.388 10.733 -18.517 1.00 0.00 N ATOM 1340 CA LYS A 93 17.321 11.264 -17.531 1.00 0.00 C ATOM 1341 C LYS A 93 18.457 12.021 -18.209 1.00 0.00 C ATOM 1342 O LYS A 93 19.340 11.421 -18.821 1.00 0.00 O ATOM 1343 CB LYS A 93 17.888 10.134 -16.672 1.00 0.00 C ATOM 1344 CG LYS A 93 16.940 9.666 -15.581 1.00 0.00 C ATOM 1345 CD LYS A 93 15.496 9.677 -16.058 1.00 0.00 C ATOM 1346 CE LYS A 93 14.613 8.804 -15.182 1.00 0.00 C ATOM 1347 NZ LYS A 93 15.261 7.502 -14.863 1.00 0.00 N ATOM 0 H LYS A 93 16.629 9.807 -18.871 1.00 0.00 H new ATOM 0 HA LYS A 93 16.776 11.958 -16.891 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.135 9.289 -17.315 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.819 10.469 -16.214 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.213 8.659 -15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.041 10.311 -14.708 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.118 10.699 -16.053 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.450 9.325 -17.089 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.384 9.332 -14.256 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.665 8.623 -15.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.578 6.883 -14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.579 7.047 -15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.080 7.664 -14.242 1.00 0.00 H new ATOM 1361 N TYR A 94 18.426 13.345 -18.095 1.00 0.00 N ATOM 1362 CA TYR A 94 19.452 14.188 -18.697 1.00 0.00 C ATOM 1363 C TYR A 94 19.864 15.308 -17.746 1.00 0.00 C ATOM 1364 O TYR A 94 19.261 15.491 -16.687 1.00 0.00 O ATOM 1365 CB TYR A 94 18.947 14.782 -20.013 1.00 0.00 C ATOM 1366 CG TYR A 94 18.069 15.999 -19.831 1.00 0.00 C ATOM 1367 CD1 TYR A 94 16.698 15.868 -19.650 1.00 0.00 C ATOM 1368 CD2 TYR A 94 18.611 17.279 -19.838 1.00 0.00 C ATOM 1369 CE1 TYR A 94 15.891 16.977 -19.481 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.811 18.393 -19.670 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.452 18.237 -19.491 1.00 0.00 C ATOM 1372 OH TYR A 94 15.652 19.344 -19.322 1.00 0.00 O ATOM 0 H TYR A 94 17.702 13.857 -17.591 1.00 0.00 H new ATOM 0 HA TYR A 94 20.325 13.566 -18.898 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.803 15.051 -20.632 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.388 14.019 -20.555 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.255 14.883 -19.641 1.00 0.00 H new ATOM 0 HD2 TYR A 94 19.675 17.405 -19.977 1.00 0.00 H new ATOM 0 HE1 TYR A 94 14.827 16.858 -19.342 1.00 0.00 H new ATOM 0 HE2 TYR A 94 18.247 19.381 -19.679 1.00 0.00 H new ATOM 0 HH TYR A 94 16.213 20.135 -19.180 1.00 0.00 H new ATOM 1382 N SER A 95 20.893 16.055 -18.132 1.00 0.00 N ATOM 1383 CA SER A 95 21.388 17.158 -17.316 1.00 0.00 C ATOM 1384 C SER A 95 21.976 18.258 -18.193 1.00 0.00 C ATOM 1385 O SER A 95 22.577 17.981 -19.230 1.00 0.00 O ATOM 1386 CB SER A 95 22.443 16.655 -16.330 1.00 0.00 C ATOM 1387 OG SER A 95 22.551 15.243 -16.374 1.00 0.00 O ATOM 0 H SER A 95 21.401 15.917 -19.006 1.00 0.00 H new ATOM 0 HA SER A 95 20.549 17.573 -16.758 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.408 17.104 -16.565 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.182 16.971 -15.320 1.00 0.00 H new ATOM 0 HG SER A 95 23.307 14.990 -16.945 1.00 0.00 H new ATOM 1393 N PHE A 96 21.800 19.506 -17.772 1.00 0.00 N ATOM 1394 CA PHE A 96 22.315 20.644 -18.526 1.00 0.00 C ATOM 1395 C PHE A 96 23.834 20.723 -18.420 1.00 0.00 C ATOM 1396 O PHE A 96 24.459 19.946 -17.697 1.00 0.00 O ATOM 1397 CB PHE A 96 21.691 21.946 -18.021 1.00 0.00 C ATOM 1398 CG PHE A 96 20.219 22.055 -18.297 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.728 21.896 -19.584 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.329 22.316 -17.270 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.373 21.996 -19.838 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.973 22.417 -17.519 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.495 22.258 -18.805 1.00 0.00 C ATOM 0 H PHE A 96 21.306 19.755 -16.915 1.00 0.00 H new ATOM 0 HA PHE A 96 22.046 20.503 -19.573 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.857 22.026 -16.947 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.203 22.789 -18.486 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.411 21.692 -20.396 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.698 22.442 -16.263 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.001 21.869 -20.844 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.288 22.620 -16.709 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.436 22.338 -19.002 1.00 0.00 H new ATOM 1413 N CYS A 97 24.421 21.669 -19.143 1.00 0.00 N ATOM 1414 CA CYS A 97 25.868 21.855 -19.130 1.00 0.00 C ATOM 1415 C CYS A 97 26.220 23.336 -19.031 1.00 0.00 C ATOM 1416 O CYS A 97 25.885 24.124 -19.915 1.00 0.00 O ATOM 1417 CB CYS A 97 26.493 21.250 -20.389 1.00 0.00 C ATOM 1418 SG CYS A 97 26.889 19.477 -20.246 1.00 0.00 S ATOM 0 H CYS A 97 23.918 22.320 -19.746 1.00 0.00 H new ATOM 0 HA CYS A 97 26.270 21.344 -18.255 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.809 21.392 -21.225 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.405 21.797 -20.627 1.00 0.00 H new ATOM 1423 N THR A 98 26.893 23.706 -17.947 1.00 0.00 N ATOM 1424 CA THR A 98 27.288 25.091 -17.727 1.00 0.00 C ATOM 1425 C THR A 98 27.924 25.689 -18.979 1.00 0.00 C ATOM 1426 O THR A 98 27.225 26.185 -19.862 1.00 0.00 O ATOM 1427 CB THR A 98 28.272 25.209 -16.550 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.004 23.988 -16.398 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.537 25.526 -15.257 1.00 0.00 C ATOM 0 H THR A 98 27.176 23.064 -17.206 1.00 0.00 H new ATOM 0 HA THR A 98 26.382 25.648 -17.489 1.00 0.00 H new ATOM 0 HB THR A 98 28.963 26.024 -16.766 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.436 23.758 -17.247 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.255 25.604 -14.440 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.004 26.471 -15.364 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.825 24.730 -15.039 1.00 0.00 H new