USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 695 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 71 SER OG : rot 180:sc= 0.465 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 154:sc= 0.515 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ 171:sc= 1.2 (180deg=-0.0672) USER MOD Set 2.2: A 87 CYS SG : rot 180:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 5:sc= 0.454 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.105 USER MOD Single : A 15 TYR OH : rot 180:sc=-0.00793 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= 1.68 (180deg=0.628) USER MOD Single : A 19 TYR OH : rot 150:sc= 0.0222 USER MOD Single : A 21 GLN : amide:sc= -0.597 K(o=-0.6,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= -0.771! (180deg=-0.968!) USER MOD Single : A 25 LYS NZ :NH3+ -127:sc= 0.487 (180deg=-0.928!) USER MOD Single : A 28 HIS : no HE2:sc= -0.254 K(o=-0.25,f=-1.7) USER MOD Single : A 33 CYS SG : rot 26:sc= 0.689 USER MOD Single : A 37 CYS SG : rot 65:sc= 0.682 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -36:sc= 0.529 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 1.8 (180deg=0.676) USER MOD Single : A 58 HIS : no HE2:sc= -0.354 K(o=-0.35,f=-5.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -124:sc= 1.18 (180deg=-0.963) USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= 1.11 (180deg=-0.234) USER MOD Single : A 66 TYR OH : rot -21:sc= 0.21 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 2.23 (180deg=1.98) USER MOD Single : A 78 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= -0.199! (180deg=-0.523!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.319 K(o=-0.32,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.257 0.598 -0.705 1.00 0.00 N ATOM 2 CA MET A 1 1.426 0.136 -1.481 1.00 0.00 C ATOM 3 C MET A 1 2.472 1.251 -1.518 1.00 0.00 C ATOM 4 O MET A 1 2.360 2.206 -0.754 1.00 0.00 O ATOM 5 CB MET A 1 1.023 -0.348 -2.887 1.00 0.00 C ATOM 6 CG MET A 1 0.013 -1.499 -2.846 1.00 0.00 C ATOM 7 SD MET A 1 -0.090 -2.460 -4.377 1.00 0.00 S ATOM 8 CE MET A 1 -1.340 -3.664 -3.855 1.00 0.00 C ATOM 0 H1 MET A 1 -0.517 -0.089 -0.802 1.00 0.00 H new ATOM 0 H2 MET A 1 0.519 0.686 0.298 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.054 1.523 -1.064 1.00 0.00 H new ATOM 0 HA MET A 1 1.866 -0.732 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.597 0.485 -3.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.914 -0.670 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.278 -2.169 -2.028 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.973 -1.093 -2.619 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.544 -4.355 -4.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.972 -4.221 -2.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.258 -3.142 -3.584 1.00 0.00 H new ATOM 20 N ALA A 2 3.475 1.167 -2.399 1.00 0.00 N ATOM 21 CA ALA A 2 4.187 2.363 -2.849 1.00 0.00 C ATOM 22 C ALA A 2 3.271 3.230 -3.740 1.00 0.00 C ATOM 23 O ALA A 2 2.338 2.717 -4.365 1.00 0.00 O ATOM 24 CB ALA A 2 5.458 1.947 -3.597 1.00 0.00 C ATOM 0 H ALA A 2 3.807 0.294 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 2 4.472 2.964 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.990 2.837 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.100 1.370 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.189 1.337 -4.460 1.00 0.00 H new ATOM 30 N LEU A 3 3.533 4.538 -3.802 1.00 0.00 N ATOM 31 CA LEU A 3 2.776 5.500 -4.605 1.00 0.00 C ATOM 32 C LEU A 3 3.337 5.537 -6.031 1.00 0.00 C ATOM 33 O LEU A 3 4.505 5.836 -6.239 1.00 0.00 O ATOM 34 CB LEU A 3 2.845 6.897 -3.964 1.00 0.00 C ATOM 35 CG LEU A 3 1.621 7.794 -4.192 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.368 7.299 -3.467 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.937 9.201 -3.684 1.00 0.00 C ATOM 0 H LEU A 3 4.298 4.968 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 3 1.732 5.190 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.990 6.777 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.726 7.410 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 3 1.413 7.780 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.461 7.977 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.114 6.300 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.557 7.267 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.073 9.847 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.170 9.160 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.793 9.601 -4.228 1.00 0.00 H new ATOM 49 N ALA A 4 2.503 5.203 -7.002 1.00 0.00 N ATOM 50 CA ALA A 4 2.834 5.071 -8.419 1.00 0.00 C ATOM 51 C ALA A 4 2.794 6.424 -9.171 1.00 0.00 C ATOM 52 O ALA A 4 1.700 6.933 -9.442 1.00 0.00 O ATOM 53 CB ALA A 4 1.845 4.040 -8.987 1.00 0.00 C ATOM 0 H ALA A 4 1.520 5.005 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 4 3.862 4.734 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.041 3.895 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.967 3.092 -8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.825 4.401 -8.852 1.00 0.00 H new ATOM 59 N VAL A 5 3.947 6.997 -9.557 1.00 0.00 N ATOM 60 CA VAL A 5 4.050 8.288 -10.265 1.00 0.00 C ATOM 61 C VAL A 5 4.601 8.091 -11.681 1.00 0.00 C ATOM 62 O VAL A 5 5.433 7.229 -11.959 1.00 0.00 O ATOM 63 CB VAL A 5 4.887 9.339 -9.496 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.719 10.769 -10.032 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.609 9.431 -7.991 1.00 0.00 C ATOM 0 H VAL A 5 4.855 6.567 -9.382 1.00 0.00 H new ATOM 0 HA VAL A 5 3.036 8.684 -10.329 1.00 0.00 H new ATOM 0 HB VAL A 5 5.896 8.961 -9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.334 11.452 -9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.030 10.805 -11.076 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.673 11.066 -9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.247 10.196 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.563 9.693 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.818 8.469 -7.523 1.00 0.00 H new ATOM 75 N ARG A 6 4.111 8.916 -12.598 1.00 0.00 N ATOM 76 CA ARG A 6 4.439 9.016 -14.019 1.00 0.00 C ATOM 77 C ARG A 6 4.626 10.477 -14.428 1.00 0.00 C ATOM 78 O ARG A 6 4.060 11.381 -13.810 1.00 0.00 O ATOM 79 CB ARG A 6 3.321 8.337 -14.847 1.00 0.00 C ATOM 80 CG ARG A 6 3.832 7.244 -15.800 1.00 0.00 C ATOM 81 CD ARG A 6 4.592 6.112 -15.091 1.00 0.00 C ATOM 82 NE ARG A 6 3.804 5.425 -14.052 1.00 0.00 N ATOM 83 CZ ARG A 6 4.284 4.677 -13.073 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.466 4.134 -13.052 1.00 0.00 N ATOM 85 NH2 ARG A 6 3.560 4.478 -12.021 1.00 0.00 N ATOM 0 H ARG A 6 3.402 9.602 -12.341 1.00 0.00 H new ATOM 0 HA ARG A 6 5.381 8.503 -14.213 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.591 7.900 -14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.799 9.097 -15.428 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.985 6.819 -16.339 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.487 7.699 -16.543 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.912 5.381 -15.834 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.495 6.522 -14.638 1.00 0.00 H new ATOM 0 HE ARG A 6 2.791 5.537 -14.092 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.105 4.272 -13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.754 3.570 -12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.632 4.896 -11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.917 3.903 -11.258 1.00 0.00 H new ATOM 99 N VAL A 7 5.361 10.679 -15.517 1.00 0.00 N ATOM 100 CA VAL A 7 5.652 11.953 -16.168 1.00 0.00 C ATOM 101 C VAL A 7 5.642 11.681 -17.665 1.00 0.00 C ATOM 102 O VAL A 7 6.449 10.868 -18.110 1.00 0.00 O ATOM 103 CB VAL A 7 7.047 12.485 -15.765 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.324 13.841 -16.421 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.227 12.648 -14.251 1.00 0.00 C ATOM 0 H VAL A 7 5.802 9.899 -16.004 1.00 0.00 H new ATOM 0 HA VAL A 7 4.916 12.701 -15.875 1.00 0.00 H new ATOM 0 HB VAL A 7 7.751 11.730 -16.113 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.311 14.195 -16.123 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.289 13.735 -17.505 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.569 14.560 -16.103 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.228 13.025 -14.042 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.488 13.353 -13.870 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.093 11.683 -13.763 1.00 0.00 H new ATOM 115 N VAL A 8 4.790 12.336 -18.453 1.00 0.00 N ATOM 116 CA VAL A 8 4.975 12.344 -19.923 1.00 0.00 C ATOM 117 C VAL A 8 5.673 13.633 -20.357 1.00 0.00 C ATOM 118 O VAL A 8 5.283 14.724 -19.940 1.00 0.00 O ATOM 119 CB VAL A 8 3.672 12.051 -20.697 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.857 12.131 -22.211 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.121 10.659 -20.382 1.00 0.00 C ATOM 0 H VAL A 8 3.981 12.859 -18.119 1.00 0.00 H new ATOM 0 HA VAL A 8 5.631 11.515 -20.188 1.00 0.00 H new ATOM 0 HB VAL A 8 2.974 12.821 -20.369 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.909 11.916 -22.705 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.190 13.132 -22.484 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.604 11.402 -22.525 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.204 10.494 -20.948 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.858 9.905 -20.658 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.908 10.585 -19.316 1.00 0.00 H new ATOM 131 N TYR A 9 6.740 13.531 -21.169 1.00 0.00 N ATOM 132 CA TYR A 9 7.375 14.713 -21.774 1.00 0.00 C ATOM 133 C TYR A 9 7.944 14.459 -23.168 1.00 0.00 C ATOM 134 O TYR A 9 8.590 13.449 -23.433 1.00 0.00 O ATOM 135 CB TYR A 9 8.498 15.260 -20.884 1.00 0.00 C ATOM 136 CG TYR A 9 9.284 16.437 -21.459 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.605 17.575 -21.934 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.691 16.393 -21.538 1.00 0.00 C ATOM 139 CE1 TYR A 9 9.313 18.659 -22.483 1.00 0.00 C ATOM 140 CE2 TYR A 9 11.410 17.475 -22.094 1.00 0.00 C ATOM 141 CZ TYR A 9 10.717 18.608 -22.575 1.00 0.00 C ATOM 142 OH TYR A 9 11.389 19.646 -23.138 1.00 0.00 O ATOM 0 H TYR A 9 7.179 12.645 -21.420 1.00 0.00 H new ATOM 0 HA TYR A 9 6.572 15.444 -21.867 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.065 15.566 -19.932 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.196 14.450 -20.672 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.527 17.616 -21.876 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.222 15.527 -21.171 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.780 19.530 -22.834 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.488 17.436 -22.151 1.00 0.00 H new ATOM 0 HH TYR A 9 12.351 19.458 -23.125 1.00 0.00 H new ATOM 152 N SER A 10 7.807 15.463 -24.024 1.00 0.00 N ATOM 153 CA SER A 10 8.464 15.605 -25.320 1.00 0.00 C ATOM 154 C SER A 10 9.978 15.811 -25.156 1.00 0.00 C ATOM 155 O SER A 10 10.494 16.915 -25.329 1.00 0.00 O ATOM 156 CB SER A 10 7.801 16.756 -26.083 1.00 0.00 C ATOM 157 OG SER A 10 7.852 17.964 -25.351 1.00 0.00 O ATOM 0 H SER A 10 7.194 16.252 -23.820 1.00 0.00 H new ATOM 0 HA SER A 10 8.345 14.688 -25.897 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.299 16.891 -27.043 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.762 16.502 -26.295 1.00 0.00 H new ATOM 0 HG SER A 10 8.372 17.828 -24.532 1.00 0.00 H new ATOM 163 N GLY A 11 10.702 14.743 -24.811 1.00 0.00 N ATOM 164 CA GLY A 11 12.128 14.704 -24.455 1.00 0.00 C ATOM 165 C GLY A 11 13.138 14.985 -25.576 1.00 0.00 C ATOM 166 O GLY A 11 14.263 14.499 -25.506 1.00 0.00 O ATOM 0 H GLY A 11 10.280 13.816 -24.769 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.297 15.428 -23.658 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.346 13.719 -24.042 1.00 0.00 H new ATOM 170 N ALA A 12 12.763 15.765 -26.591 1.00 0.00 N ATOM 171 CA ALA A 12 13.557 16.012 -27.801 1.00 0.00 C ATOM 172 C ALA A 12 14.939 16.660 -27.554 1.00 0.00 C ATOM 173 O ALA A 12 15.815 16.597 -28.414 1.00 0.00 O ATOM 174 CB ALA A 12 12.711 16.864 -28.753 1.00 0.00 C ATOM 0 H ALA A 12 11.871 16.259 -26.596 1.00 0.00 H new ATOM 0 HA ALA A 12 13.796 15.042 -28.237 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.277 17.064 -29.663 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.796 16.328 -29.005 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.457 17.807 -28.269 1.00 0.00 H new ATOM 180 N CYS A 13 15.158 17.269 -26.384 1.00 0.00 N ATOM 181 CA CYS A 13 16.478 17.663 -25.892 1.00 0.00 C ATOM 182 C CYS A 13 16.527 17.615 -24.351 1.00 0.00 C ATOM 183 O CYS A 13 15.485 17.673 -23.694 1.00 0.00 O ATOM 184 CB CYS A 13 16.799 19.066 -26.426 1.00 0.00 C ATOM 185 SG CYS A 13 18.580 19.387 -26.289 1.00 0.00 S ATOM 0 H CYS A 13 14.404 17.506 -25.740 1.00 0.00 H new ATOM 0 HA CYS A 13 17.233 16.963 -26.251 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.485 19.149 -27.466 1.00 0.00 H new ATOM 0 HB3 CYS A 13 16.241 19.815 -25.864 1.00 0.00 H new ATOM 0 HG CYS A 13 18.843 20.576 -26.745 1.00 0.00 H new ATOM 191 N GLY A 14 17.733 17.519 -23.774 1.00 0.00 N ATOM 192 CA GLY A 14 18.058 17.660 -22.339 1.00 0.00 C ATOM 193 C GLY A 14 17.351 16.736 -21.327 1.00 0.00 C ATOM 194 O GLY A 14 17.611 16.837 -20.129 1.00 0.00 O ATOM 0 H GLY A 14 18.566 17.328 -24.331 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.132 17.513 -22.227 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.846 18.690 -22.051 1.00 0.00 H new ATOM 198 N TYR A 15 16.452 15.854 -21.773 1.00 0.00 N ATOM 199 CA TYR A 15 15.396 15.275 -20.935 1.00 0.00 C ATOM 200 C TYR A 15 15.887 14.527 -19.687 1.00 0.00 C ATOM 201 O TYR A 15 15.308 14.702 -18.620 1.00 0.00 O ATOM 202 CB TYR A 15 14.475 14.383 -21.788 1.00 0.00 C ATOM 203 CG TYR A 15 14.933 12.940 -21.916 1.00 0.00 C ATOM 204 CD1 TYR A 15 16.016 12.613 -22.754 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.344 11.945 -21.107 1.00 0.00 C ATOM 206 CE1 TYR A 15 16.542 11.307 -22.745 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.857 10.633 -21.107 1.00 0.00 C ATOM 208 CZ TYR A 15 15.972 10.318 -21.915 1.00 0.00 C ATOM 209 OH TYR A 15 16.514 9.070 -21.877 1.00 0.00 O ATOM 0 H TYR A 15 16.436 15.518 -22.736 1.00 0.00 H new ATOM 0 HA TYR A 15 14.838 16.124 -20.540 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.475 14.396 -21.354 1.00 0.00 H new ATOM 0 HB3 TYR A 15 14.395 14.815 -22.786 1.00 0.00 H new ATOM 0 HD1 TYR A 15 16.443 13.363 -23.403 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.496 12.191 -20.485 1.00 0.00 H new ATOM 0 HE1 TYR A 15 17.384 11.061 -23.375 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.400 9.872 -20.492 1.00 0.00 H new ATOM 0 HH TYR A 15 16.003 8.510 -21.255 1.00 0.00 H new ATOM 219 N LYS A 16 16.927 13.693 -19.802 1.00 0.00 N ATOM 220 CA LYS A 16 17.360 12.748 -18.757 1.00 0.00 C ATOM 221 C LYS A 16 17.668 13.418 -17.404 1.00 0.00 C ATOM 222 O LYS A 16 16.986 13.079 -16.437 1.00 0.00 O ATOM 223 CB LYS A 16 18.470 11.837 -19.313 1.00 0.00 C ATOM 224 CG LYS A 16 18.741 10.626 -18.405 1.00 0.00 C ATOM 225 CD LYS A 16 19.761 9.642 -19.006 1.00 0.00 C ATOM 226 CE LYS A 16 19.235 8.984 -20.292 1.00 0.00 C ATOM 227 NZ LYS A 16 20.148 7.930 -20.802 1.00 0.00 N ATOM 0 H LYS A 16 17.506 13.653 -20.641 1.00 0.00 H new ATOM 0 HA LYS A 16 16.522 12.100 -18.500 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.187 11.488 -20.306 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.387 12.415 -19.428 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.107 10.977 -17.440 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.804 10.101 -18.219 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.690 10.169 -19.222 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.996 8.870 -18.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.254 8.549 -20.100 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.101 9.747 -21.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.750 7.516 -21.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.077 8.347 -21.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.257 7.187 -20.082 1.00 0.00 H new ATOM 241 N PRO A 17 18.597 14.388 -17.288 1.00 0.00 N ATOM 242 CA PRO A 17 18.756 15.140 -16.043 1.00 0.00 C ATOM 243 C PRO A 17 17.536 16.021 -15.731 1.00 0.00 C ATOM 244 O PRO A 17 17.185 16.132 -14.561 1.00 0.00 O ATOM 245 CB PRO A 17 20.030 15.970 -16.221 1.00 0.00 C ATOM 246 CG PRO A 17 20.121 16.161 -17.735 1.00 0.00 C ATOM 247 CD PRO A 17 19.565 14.845 -18.277 1.00 0.00 C ATOM 0 HA PRO A 17 18.835 14.468 -15.189 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.964 16.925 -15.699 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.905 15.452 -15.828 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.535 17.016 -18.071 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.147 16.331 -18.060 1.00 0.00 H new ATOM 0 HD2 PRO A 17 19.093 14.990 -19.249 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.360 14.112 -18.415 1.00 0.00 H new ATOM 255 N LYS A 18 16.835 16.588 -16.731 1.00 0.00 N ATOM 256 CA LYS A 18 15.632 17.418 -16.499 1.00 0.00 C ATOM 257 C LYS A 18 14.486 16.635 -15.833 1.00 0.00 C ATOM 258 O LYS A 18 13.705 17.213 -15.082 1.00 0.00 O ATOM 259 CB LYS A 18 15.232 18.095 -17.830 1.00 0.00 C ATOM 260 CG LYS A 18 14.376 19.368 -17.683 1.00 0.00 C ATOM 261 CD LYS A 18 12.869 19.124 -17.475 1.00 0.00 C ATOM 262 CE LYS A 18 12.366 19.819 -16.202 1.00 0.00 C ATOM 263 NZ LYS A 18 10.941 19.506 -15.948 1.00 0.00 N ATOM 0 H LYS A 18 17.082 16.487 -17.715 1.00 0.00 H new ATOM 0 HA LYS A 18 15.867 18.199 -15.776 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.139 18.347 -18.379 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.683 17.374 -18.436 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.754 19.946 -16.840 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.509 19.981 -18.574 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.315 19.494 -18.338 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.677 18.053 -17.408 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.968 19.503 -15.350 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.492 20.897 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.794 19.358 -14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.349 20.297 -16.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.678 18.643 -16.465 1.00 0.00 H new ATOM 277 N TYR A 19 14.407 15.328 -16.080 1.00 0.00 N ATOM 278 CA TYR A 19 13.632 14.328 -15.342 1.00 0.00 C ATOM 279 C TYR A 19 14.246 14.038 -13.969 1.00 0.00 C ATOM 280 O TYR A 19 13.598 14.281 -12.950 1.00 0.00 O ATOM 281 CB TYR A 19 13.551 13.027 -16.176 1.00 0.00 C ATOM 282 CG TYR A 19 12.336 12.806 -17.062 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.432 13.839 -17.386 1.00 0.00 C ATOM 284 CD2 TYR A 19 12.114 11.507 -17.563 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.302 13.567 -18.183 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.998 11.237 -18.373 1.00 0.00 C ATOM 287 CZ TYR A 19 10.087 12.267 -18.685 1.00 0.00 C ATOM 288 OH TYR A 19 9.016 11.995 -19.470 1.00 0.00 O ATOM 0 H TYR A 19 14.919 14.909 -16.856 1.00 0.00 H new ATOM 0 HA TYR A 19 12.630 14.724 -15.175 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.436 12.985 -16.811 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.614 12.186 -15.485 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.606 14.841 -17.022 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.807 10.714 -17.323 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.600 14.355 -18.410 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.838 10.240 -18.757 1.00 0.00 H new ATOM 0 HH TYR A 19 9.241 11.271 -20.091 1.00 0.00 H new ATOM 298 N LEU A 20 15.473 13.501 -13.928 1.00 0.00 N ATOM 299 CA LEU A 20 16.105 13.006 -12.700 1.00 0.00 C ATOM 300 C LEU A 20 16.161 14.047 -11.588 1.00 0.00 C ATOM 301 O LEU A 20 15.904 13.702 -10.453 1.00 0.00 O ATOM 302 CB LEU A 20 17.540 12.565 -12.970 1.00 0.00 C ATOM 303 CG LEU A 20 17.712 11.281 -13.799 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.169 11.137 -14.239 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.324 10.034 -13.000 1.00 0.00 C ATOM 0 H LEU A 20 16.060 13.398 -14.756 1.00 0.00 H new ATOM 0 HA LEU A 20 15.482 12.173 -12.376 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.057 13.376 -13.483 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.041 12.424 -12.012 1.00 0.00 H new ATOM 0 HG LEU A 20 17.054 11.364 -14.664 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.284 10.225 -14.826 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.453 11.997 -14.846 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.811 11.086 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.459 9.148 -13.620 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.956 9.958 -12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.280 10.107 -12.695 1.00 0.00 H new ATOM 317 N GLN A 21 16.482 15.301 -11.888 1.00 0.00 N ATOM 318 CA GLN A 21 16.629 16.370 -10.910 1.00 0.00 C ATOM 319 C GLN A 21 15.332 16.631 -10.121 1.00 0.00 C ATOM 320 O GLN A 21 15.388 16.869 -8.913 1.00 0.00 O ATOM 321 CB GLN A 21 17.130 17.589 -11.701 1.00 0.00 C ATOM 322 CG GLN A 21 17.625 18.727 -10.815 1.00 0.00 C ATOM 323 CD GLN A 21 16.509 19.571 -10.209 1.00 0.00 C ATOM 324 OE1 GLN A 21 15.434 19.740 -10.760 1.00 0.00 O ATOM 325 NE2 GLN A 21 16.739 20.169 -9.064 1.00 0.00 N ATOM 0 H GLN A 21 16.652 15.609 -12.845 1.00 0.00 H new ATOM 0 HA GLN A 21 17.343 16.106 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.938 17.276 -12.362 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.324 17.957 -12.335 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.230 18.310 -10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.278 19.373 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.633 20.038 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.024 20.765 -8.647 1.00 0.00 H new ATOM 334 N LEU A 22 14.173 16.516 -10.783 1.00 0.00 N ATOM 335 CA LEU A 22 12.868 16.540 -10.128 1.00 0.00 C ATOM 336 C LEU A 22 12.553 15.203 -9.433 1.00 0.00 C ATOM 337 O LEU A 22 11.973 15.210 -8.346 1.00 0.00 O ATOM 338 CB LEU A 22 11.806 16.904 -11.182 1.00 0.00 C ATOM 339 CG LEU A 22 10.389 17.126 -10.615 1.00 0.00 C ATOM 340 CD1 LEU A 22 10.326 18.329 -9.669 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.417 17.375 -11.772 1.00 0.00 C ATOM 0 H LEU A 22 14.119 16.403 -11.795 1.00 0.00 H new ATOM 0 HA LEU A 22 12.869 17.291 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.122 17.810 -11.700 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.765 16.109 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 22 10.119 16.232 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.309 18.445 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.004 18.169 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.620 19.230 -10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.414 17.533 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.731 18.259 -12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.414 16.511 -12.437 1.00 0.00 H new ATOM 353 N LYS A 23 12.937 14.065 -10.038 1.00 0.00 N ATOM 354 CA LYS A 23 12.674 12.721 -9.514 1.00 0.00 C ATOM 355 C LYS A 23 13.428 12.447 -8.214 1.00 0.00 C ATOM 356 O LYS A 23 12.801 12.169 -7.195 1.00 0.00 O ATOM 357 CB LYS A 23 13.033 11.658 -10.560 1.00 0.00 C ATOM 358 CG LYS A 23 11.814 10.928 -11.061 1.00 0.00 C ATOM 359 CD LYS A 23 12.254 9.952 -12.153 1.00 0.00 C ATOM 360 CE LYS A 23 12.724 8.633 -11.557 1.00 0.00 C ATOM 361 NZ LYS A 23 13.961 8.623 -10.747 1.00 0.00 N ATOM 0 H LYS A 23 13.448 14.058 -10.921 1.00 0.00 H new ATOM 0 HA LYS A 23 11.608 12.669 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.543 12.132 -11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.731 10.943 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.330 10.392 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.083 11.635 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.425 9.770 -12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.059 10.396 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.918 8.245 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.860 7.929 -12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.168 7.651 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.753 8.982 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.834 9.229 -9.912 1.00 0.00 H new ATOM 375 N GLU A 24 14.755 12.595 -8.268 1.00 0.00 N ATOM 376 CA GLU A 24 15.712 12.454 -7.164 1.00 0.00 C ATOM 377 C GLU A 24 15.193 13.071 -5.859 1.00 0.00 C ATOM 378 O GLU A 24 15.246 12.432 -4.819 1.00 0.00 O ATOM 379 CB GLU A 24 17.047 13.083 -7.611 1.00 0.00 C ATOM 380 CG GLU A 24 18.207 12.971 -6.603 1.00 0.00 C ATOM 381 CD GLU A 24 18.552 14.334 -5.986 1.00 0.00 C ATOM 382 OE1 GLU A 24 18.871 15.286 -6.737 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.424 14.527 -4.757 1.00 0.00 O ATOM 0 H GLU A 24 15.222 12.833 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 24 15.857 11.397 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.355 12.613 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.877 14.138 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.937 12.271 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.086 12.564 -7.103 1.00 0.00 H new ATOM 390 N LYS A 25 14.626 14.283 -5.917 1.00 0.00 N ATOM 391 CA LYS A 25 14.001 14.994 -4.787 1.00 0.00 C ATOM 392 C LYS A 25 12.833 14.254 -4.128 1.00 0.00 C ATOM 393 O LYS A 25 12.717 14.215 -2.910 1.00 0.00 O ATOM 394 CB LYS A 25 13.558 16.394 -5.279 1.00 0.00 C ATOM 395 CG LYS A 25 14.164 17.519 -4.435 1.00 0.00 C ATOM 396 CD LYS A 25 15.573 17.980 -4.850 1.00 0.00 C ATOM 397 CE LYS A 25 16.531 16.808 -5.058 1.00 0.00 C ATOM 398 NZ LYS A 25 17.956 17.199 -5.089 1.00 0.00 N ATOM 0 H LYS A 25 14.587 14.818 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 25 14.752 15.068 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.854 16.522 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.471 16.462 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.495 18.378 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.201 17.190 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.506 18.559 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.976 18.643 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.381 16.082 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.281 16.308 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.399 16.828 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.032 18.236 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.441 16.808 -4.256 1.00 0.00 H new ATOM 412 N LEU A 26 11.953 13.693 -4.941 1.00 0.00 N ATOM 413 CA LEU A 26 10.773 12.932 -4.551 1.00 0.00 C ATOM 414 C LEU A 26 11.119 11.533 -4.004 1.00 0.00 C ATOM 415 O LEU A 26 10.633 11.126 -2.954 1.00 0.00 O ATOM 416 CB LEU A 26 9.858 12.908 -5.791 1.00 0.00 C ATOM 417 CG LEU A 26 8.393 13.224 -5.484 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.162 14.637 -4.927 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.579 13.091 -6.774 1.00 0.00 C ATOM 0 H LEU A 26 12.048 13.760 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 26 10.258 13.401 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.230 13.628 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.918 11.924 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 26 8.082 12.517 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.099 14.783 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.718 14.757 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.505 15.375 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.532 13.314 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.960 13.791 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.665 12.074 -7.155 1.00 0.00 H new ATOM 431 N GLU A 27 12.017 10.823 -4.679 1.00 0.00 N ATOM 432 CA GLU A 27 12.682 9.602 -4.219 1.00 0.00 C ATOM 433 C GLU A 27 13.481 9.781 -2.921 1.00 0.00 C ATOM 434 O GLU A 27 13.419 8.904 -2.065 1.00 0.00 O ATOM 435 CB GLU A 27 13.623 9.119 -5.337 1.00 0.00 C ATOM 436 CG GLU A 27 12.954 8.125 -6.302 1.00 0.00 C ATOM 437 CD GLU A 27 13.479 8.246 -7.743 1.00 0.00 C ATOM 438 OE1 GLU A 27 13.556 9.386 -8.247 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.776 7.242 -8.436 1.00 0.00 O ATOM 0 H GLU A 27 12.319 11.097 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 27 11.904 8.872 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.979 9.981 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.498 8.648 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.121 7.109 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.877 8.291 -6.298 1.00 0.00 H new ATOM 446 N HIS A 28 14.203 10.892 -2.746 1.00 0.00 N ATOM 447 CA HIS A 28 14.883 11.240 -1.494 1.00 0.00 C ATOM 448 C HIS A 28 13.892 11.346 -0.334 1.00 0.00 C ATOM 449 O HIS A 28 14.157 10.830 0.754 1.00 0.00 O ATOM 450 CB HIS A 28 15.638 12.568 -1.682 1.00 0.00 C ATOM 451 CG HIS A 28 16.224 13.202 -0.437 1.00 0.00 C ATOM 452 ND1 HIS A 28 16.384 12.630 0.807 1.00 0.00 N ATOM 453 CD2 HIS A 28 16.600 14.512 -0.325 1.00 0.00 C ATOM 454 CE1 HIS A 28 16.867 13.569 1.638 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.029 14.731 0.988 1.00 0.00 N ATOM 0 H HIS A 28 14.334 11.586 -3.482 1.00 0.00 H new ATOM 0 HA HIS A 28 15.590 10.449 -1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.448 12.401 -2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.956 13.285 -2.140 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.173 11.663 1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 28 16.571 15.249 -1.114 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.093 13.410 2.682 1.00 0.00 H new ATOM 463 N GLU A 29 12.774 12.034 -0.564 1.00 0.00 N ATOM 464 CA GLU A 29 11.741 12.265 0.447 1.00 0.00 C ATOM 465 C GLU A 29 10.982 10.977 0.819 1.00 0.00 C ATOM 466 O GLU A 29 10.570 10.793 1.965 1.00 0.00 O ATOM 467 CB GLU A 29 10.763 13.313 -0.106 1.00 0.00 C ATOM 468 CG GLU A 29 10.956 14.724 0.475 1.00 0.00 C ATOM 469 CD GLU A 29 10.174 14.935 1.777 1.00 0.00 C ATOM 470 OE1 GLU A 29 10.286 14.139 2.732 1.00 0.00 O ATOM 471 OE2 GLU A 29 9.370 15.890 1.879 1.00 0.00 O ATOM 0 H GLU A 29 12.557 12.452 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 29 12.219 12.617 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.873 13.360 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.744 12.985 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.016 14.895 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.637 15.463 -0.260 1.00 0.00 H new ATOM 478 N PHE A 30 10.783 10.076 -0.152 1.00 0.00 N ATOM 479 CA PHE A 30 9.929 8.892 -0.043 1.00 0.00 C ATOM 480 C PHE A 30 10.626 7.612 -0.571 1.00 0.00 C ATOM 481 O PHE A 30 10.108 6.949 -1.480 1.00 0.00 O ATOM 482 CB PHE A 30 8.619 9.209 -0.790 1.00 0.00 C ATOM 483 CG PHE A 30 7.983 10.555 -0.468 1.00 0.00 C ATOM 484 CD1 PHE A 30 7.539 10.834 0.837 1.00 0.00 C ATOM 485 CD2 PHE A 30 7.896 11.555 -1.456 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.055 12.114 1.156 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.415 12.837 -1.136 1.00 0.00 C ATOM 488 CZ PHE A 30 6.999 13.119 0.174 1.00 0.00 C ATOM 0 H PHE A 30 11.229 10.157 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 30 9.716 8.672 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.814 9.168 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.896 8.424 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.570 10.064 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.201 11.335 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.724 12.327 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.366 13.602 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.637 14.105 0.427 1.00 0.00 H new ATOM 498 N PRO A 31 11.802 7.214 -0.038 1.00 0.00 N ATOM 499 CA PRO A 31 12.678 6.238 -0.687 1.00 0.00 C ATOM 500 C PRO A 31 12.072 4.841 -0.739 1.00 0.00 C ATOM 501 O PRO A 31 11.740 4.230 0.277 1.00 0.00 O ATOM 502 CB PRO A 31 14.003 6.267 0.058 1.00 0.00 C ATOM 503 CG PRO A 31 13.616 6.796 1.440 1.00 0.00 C ATOM 504 CD PRO A 31 12.465 7.758 1.137 1.00 0.00 C ATOM 0 HA PRO A 31 12.823 6.507 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.453 5.276 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.727 6.917 -0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.304 5.992 2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.449 7.305 1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.777 7.825 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.835 8.765 0.947 1.00 0.00 H new ATOM 512 N GLY A 32 11.864 4.377 -1.966 1.00 0.00 N ATOM 513 CA GLY A 32 10.997 3.261 -2.373 1.00 0.00 C ATOM 514 C GLY A 32 9.602 3.191 -1.734 1.00 0.00 C ATOM 515 O GLY A 32 8.869 2.225 -1.939 1.00 0.00 O ATOM 0 H GLY A 32 12.330 4.799 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.872 3.307 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.518 2.329 -2.152 1.00 0.00 H new ATOM 519 N CYS A 33 9.198 4.199 -0.958 1.00 0.00 N ATOM 520 CA CYS A 33 7.820 4.454 -0.593 1.00 0.00 C ATOM 521 C CYS A 33 7.049 4.994 -1.816 1.00 0.00 C ATOM 522 O CYS A 33 5.823 4.954 -1.873 1.00 0.00 O ATOM 523 CB CYS A 33 7.772 5.425 0.597 1.00 0.00 C ATOM 524 SG CYS A 33 9.102 5.215 1.826 1.00 0.00 S ATOM 0 H CYS A 33 9.848 4.876 -0.559 1.00 0.00 H new ATOM 0 HA CYS A 33 7.336 3.528 -0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.811 6.445 0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.812 5.310 1.101 1.00 0.00 H new ATOM 0 HG CYS A 33 10.138 4.674 1.256 1.00 0.00 H new ATOM 530 N LEU A 34 7.779 5.453 -2.833 1.00 0.00 N ATOM 531 CA LEU A 34 7.305 5.856 -4.136 1.00 0.00 C ATOM 532 C LEU A 34 7.944 5.018 -5.236 1.00 0.00 C ATOM 533 O LEU A 34 9.086 4.572 -5.139 1.00 0.00 O ATOM 534 CB LEU A 34 7.672 7.330 -4.381 1.00 0.00 C ATOM 535 CG LEU A 34 6.438 8.220 -4.367 1.00 0.00 C ATOM 536 CD1 LEU A 34 5.833 8.445 -2.978 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.760 9.575 -4.983 1.00 0.00 C ATOM 0 H LEU A 34 8.790 5.556 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 34 6.224 5.715 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.372 7.664 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.180 7.425 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 34 5.692 7.683 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.958 9.090 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.537 7.487 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.572 8.918 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.869 10.203 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.553 10.056 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.089 9.438 -6.013 1.00 0.00 H new ATOM 549 N ASP A 35 7.211 4.961 -6.335 1.00 0.00 N ATOM 550 CA ASP A 35 7.684 4.810 -7.704 1.00 0.00 C ATOM 551 C ASP A 35 7.509 6.156 -8.399 1.00 0.00 C ATOM 552 O ASP A 35 6.462 6.787 -8.290 1.00 0.00 O ATOM 553 CB ASP A 35 6.761 3.794 -8.363 1.00 0.00 C ATOM 554 CG ASP A 35 6.652 3.791 -9.893 1.00 0.00 C ATOM 555 OD1 ASP A 35 7.637 4.029 -10.623 1.00 0.00 O ATOM 556 OD2 ASP A 35 5.509 3.571 -10.362 1.00 0.00 O ATOM 0 H ASP A 35 6.194 5.024 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 35 8.725 4.492 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.084 2.801 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.760 3.944 -7.959 1.00 0.00 H new ATOM 561 N ILE A 36 8.488 6.549 -9.191 1.00 0.00 N ATOM 562 CA ILE A 36 8.332 7.532 -10.249 1.00 0.00 C ATOM 563 C ILE A 36 9.065 7.019 -11.482 1.00 0.00 C ATOM 564 O ILE A 36 10.293 6.909 -11.523 1.00 0.00 O ATOM 565 CB ILE A 36 8.899 8.906 -9.893 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.546 9.483 -8.510 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.524 9.926 -10.987 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.721 9.296 -7.551 1.00 0.00 C ATOM 0 H ILE A 36 9.438 6.185 -9.116 1.00 0.00 H new ATOM 0 HA ILE A 36 7.263 7.660 -10.418 1.00 0.00 H new ATOM 0 HB ILE A 36 9.973 8.731 -9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.304 10.542 -8.600 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.660 8.986 -8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.931 10.904 -10.728 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.937 9.603 -11.943 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.439 9.994 -11.065 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.463 9.707 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.943 8.234 -7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.596 9.814 -7.943 1.00 0.00 H new ATOM 580 N CYS A 37 8.296 6.810 -12.526 1.00 0.00 N ATOM 581 CA CYS A 37 8.804 6.675 -13.881 1.00 0.00 C ATOM 582 C CYS A 37 8.493 7.931 -14.704 1.00 0.00 C ATOM 583 O CYS A 37 7.756 8.818 -14.275 1.00 0.00 O ATOM 584 CB CYS A 37 8.237 5.401 -14.505 1.00 0.00 C ATOM 585 SG CYS A 37 8.838 3.924 -13.637 1.00 0.00 S ATOM 0 H CYS A 37 7.281 6.727 -12.461 1.00 0.00 H new ATOM 0 HA CYS A 37 9.890 6.583 -13.866 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.148 5.429 -14.470 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.521 5.350 -15.556 1.00 0.00 H new ATOM 0 HG CYS A 37 8.384 3.922 -12.419 1.00 0.00 H new ATOM 591 N GLY A 38 9.047 7.997 -15.911 1.00 0.00 N ATOM 592 CA GLY A 38 8.670 8.963 -16.935 1.00 0.00 C ATOM 593 C GLY A 38 8.786 8.354 -18.330 1.00 0.00 C ATOM 594 O GLY A 38 9.420 7.312 -18.504 1.00 0.00 O ATOM 0 H GLY A 38 9.789 7.364 -16.210 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.647 9.299 -16.765 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.310 9.842 -16.864 1.00 0.00 H new ATOM 598 N GLU A 39 8.131 8.979 -19.299 1.00 0.00 N ATOM 599 CA GLU A 39 7.657 8.346 -20.519 1.00 0.00 C ATOM 600 C GLU A 39 7.640 9.353 -21.668 1.00 0.00 C ATOM 601 O GLU A 39 6.718 10.142 -21.864 1.00 0.00 O ATOM 602 CB GLU A 39 6.289 7.725 -20.238 1.00 0.00 C ATOM 603 CG GLU A 39 5.775 6.930 -21.436 1.00 0.00 C ATOM 604 CD GLU A 39 4.449 6.217 -21.154 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.316 5.594 -20.074 1.00 0.00 O ATOM 606 OE2 GLU A 39 3.596 6.278 -22.068 1.00 0.00 O ATOM 0 H GLU A 39 7.908 9.973 -19.254 1.00 0.00 H new ATOM 0 HA GLU A 39 8.330 7.548 -20.833 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.358 7.071 -19.369 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.576 8.511 -19.990 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.647 7.603 -22.284 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.524 6.193 -21.725 1.00 0.00 H new ATOM 613 N GLY A 40 8.728 9.333 -22.423 1.00 0.00 N ATOM 614 CA GLY A 40 8.932 10.191 -23.590 1.00 0.00 C ATOM 615 C GLY A 40 8.416 9.555 -24.879 1.00 0.00 C ATOM 616 O GLY A 40 9.199 9.230 -25.772 1.00 0.00 O ATOM 0 H GLY A 40 9.513 8.708 -22.241 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.426 11.143 -23.430 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.995 10.409 -23.696 1.00 0.00 H new ATOM 620 N THR A 41 7.096 9.371 -24.970 1.00 0.00 N ATOM 621 CA THR A 41 6.421 8.832 -26.160 1.00 0.00 C ATOM 622 C THR A 41 6.185 9.912 -27.228 1.00 0.00 C ATOM 623 O THR A 41 5.991 11.084 -26.902 1.00 0.00 O ATOM 624 CB THR A 41 5.076 8.179 -25.785 1.00 0.00 C ATOM 625 OG1 THR A 41 4.356 8.958 -24.863 1.00 0.00 O ATOM 626 CG2 THR A 41 5.283 6.800 -25.169 1.00 0.00 C ATOM 0 H THR A 41 6.454 9.595 -24.209 1.00 0.00 H new ATOM 0 HA THR A 41 7.085 8.076 -26.579 1.00 0.00 H new ATOM 0 HB THR A 41 4.512 8.096 -26.714 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.509 8.514 -24.650 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.316 6.366 -24.915 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.794 6.155 -25.884 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.887 6.892 -24.267 1.00 0.00 H new ATOM 634 N PRO A 42 6.099 9.539 -28.522 1.00 0.00 N ATOM 635 CA PRO A 42 5.840 10.481 -29.621 1.00 0.00 C ATOM 636 C PRO A 42 4.411 11.060 -29.633 1.00 0.00 C ATOM 637 O PRO A 42 4.075 11.849 -30.510 1.00 0.00 O ATOM 638 CB PRO A 42 6.157 9.698 -30.900 1.00 0.00 C ATOM 639 CG PRO A 42 5.840 8.256 -30.513 1.00 0.00 C ATOM 640 CD PRO A 42 6.282 8.193 -29.052 1.00 0.00 C ATOM 0 HA PRO A 42 6.462 11.369 -29.512 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.547 10.033 -31.739 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.199 9.816 -31.196 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.779 8.031 -30.625 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.384 7.542 -31.131 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.687 7.469 -28.495 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.323 7.880 -28.972 1.00 0.00 H new ATOM 648 N GLN A 43 3.565 10.694 -28.663 1.00 0.00 N ATOM 649 CA GLN A 43 2.259 11.318 -28.424 1.00 0.00 C ATOM 650 C GLN A 43 2.376 12.767 -27.897 1.00 0.00 C ATOM 651 O GLN A 43 1.388 13.500 -27.884 1.00 0.00 O ATOM 652 CB GLN A 43 1.458 10.396 -27.483 1.00 0.00 C ATOM 653 CG GLN A 43 -0.044 10.719 -27.431 1.00 0.00 C ATOM 654 CD GLN A 43 -0.853 9.562 -26.849 1.00 0.00 C ATOM 655 OE1 GLN A 43 -1.529 8.829 -27.549 1.00 0.00 O ATOM 656 NE2 GLN A 43 -0.799 9.322 -25.559 1.00 0.00 N ATOM 0 H GLN A 43 3.774 9.940 -28.009 1.00 0.00 H new ATOM 0 HA GLN A 43 1.724 11.421 -29.368 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.587 9.363 -27.805 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.872 10.471 -26.477 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.203 11.613 -26.828 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.402 10.944 -28.435 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.240 9.921 -24.952 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.316 8.536 -25.164 1.00 0.00 H new ATOM 665 N VAL A 44 3.578 13.215 -27.509 1.00 0.00 N ATOM 666 CA VAL A 44 3.855 14.591 -27.075 1.00 0.00 C ATOM 667 C VAL A 44 5.019 15.216 -27.854 1.00 0.00 C ATOM 668 O VAL A 44 6.085 14.626 -27.987 1.00 0.00 O ATOM 669 CB VAL A 44 4.097 14.658 -25.553 1.00 0.00 C ATOM 670 CG1 VAL A 44 2.817 14.343 -24.762 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.193 13.710 -25.054 1.00 0.00 C ATOM 0 H VAL A 44 4.404 12.617 -27.488 1.00 0.00 H new ATOM 0 HA VAL A 44 2.968 15.183 -27.299 1.00 0.00 H new ATOM 0 HB VAL A 44 4.422 15.684 -25.380 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.026 14.400 -23.694 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.043 15.066 -25.019 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.473 13.339 -25.011 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.303 13.817 -23.975 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.920 12.682 -25.291 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.137 13.957 -25.541 1.00 0.00 H new ATOM 681 N THR A 45 4.837 16.455 -28.330 1.00 0.00 N ATOM 682 CA THR A 45 5.854 17.206 -29.105 1.00 0.00 C ATOM 683 C THR A 45 6.228 18.574 -28.517 1.00 0.00 C ATOM 684 O THR A 45 7.143 19.225 -29.012 1.00 0.00 O ATOM 685 CB THR A 45 5.432 17.333 -30.577 1.00 0.00 C ATOM 686 OG1 THR A 45 6.511 17.830 -31.329 1.00 0.00 O ATOM 687 CG2 THR A 45 4.231 18.256 -30.796 1.00 0.00 C ATOM 0 H THR A 45 3.972 16.977 -28.190 1.00 0.00 H new ATOM 0 HA THR A 45 6.765 16.612 -29.038 1.00 0.00 H new ATOM 0 HB THR A 45 5.138 16.334 -30.897 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.012 18.480 -30.793 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.992 18.296 -31.859 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.372 17.873 -30.245 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.472 19.258 -30.441 1.00 0.00 H new ATOM 695 N GLY A 46 5.551 19.006 -27.452 1.00 0.00 N ATOM 696 CA GLY A 46 5.824 20.262 -26.738 1.00 0.00 C ATOM 697 C GLY A 46 5.108 20.331 -25.388 1.00 0.00 C ATOM 698 O GLY A 46 4.678 21.400 -24.954 1.00 0.00 O ATOM 0 H GLY A 46 4.776 18.480 -27.048 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.898 20.363 -26.582 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.511 21.104 -27.356 1.00 0.00 H new ATOM 702 N PHE A 47 4.893 19.173 -24.762 1.00 0.00 N ATOM 703 CA PHE A 47 3.967 18.974 -23.649 1.00 0.00 C ATOM 704 C PHE A 47 4.693 18.227 -22.529 1.00 0.00 C ATOM 705 O PHE A 47 5.423 17.282 -22.815 1.00 0.00 O ATOM 706 CB PHE A 47 2.728 18.191 -24.138 1.00 0.00 C ATOM 707 CG PHE A 47 2.076 18.681 -25.432 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.936 20.057 -25.712 1.00 0.00 C ATOM 709 CD2 PHE A 47 1.615 17.749 -26.382 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.406 20.487 -26.943 1.00 0.00 C ATOM 711 CE2 PHE A 47 1.069 18.173 -27.606 1.00 0.00 C ATOM 712 CZ PHE A 47 0.978 19.545 -27.893 1.00 0.00 C ATOM 0 H PHE A 47 5.378 18.316 -25.027 1.00 0.00 H new ATOM 0 HA PHE A 47 3.625 19.934 -23.263 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.016 17.149 -24.275 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.977 18.213 -23.348 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.238 20.787 -24.975 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.682 16.693 -26.167 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.328 21.543 -27.157 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.720 17.446 -28.324 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.580 19.875 -28.841 1.00 0.00 H new ATOM 722 N PHE A 48 4.492 18.649 -21.278 1.00 0.00 N ATOM 723 CA PHE A 48 5.011 18.036 -20.052 1.00 0.00 C ATOM 724 C PHE A 48 3.829 17.865 -19.090 1.00 0.00 C ATOM 725 O PHE A 48 3.114 18.843 -18.856 1.00 0.00 O ATOM 726 CB PHE A 48 6.100 18.938 -19.421 1.00 0.00 C ATOM 727 CG PHE A 48 7.063 18.242 -18.464 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.621 17.781 -17.211 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.432 18.126 -18.781 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.518 17.180 -16.312 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.322 17.473 -17.911 1.00 0.00 C ATOM 732 CZ PHE A 48 8.863 16.994 -16.672 1.00 0.00 C ATOM 0 H PHE A 48 3.929 19.477 -21.082 1.00 0.00 H new ATOM 0 HA PHE A 48 5.469 17.070 -20.267 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.680 19.392 -20.224 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.608 19.750 -18.885 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.582 17.890 -16.937 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.802 18.545 -19.705 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.172 16.860 -15.340 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.356 17.340 -18.194 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.540 16.486 -16.001 1.00 0.00 H new ATOM 742 N GLU A 49 3.615 16.683 -18.524 1.00 0.00 N ATOM 743 CA GLU A 49 2.603 16.423 -17.504 1.00 0.00 C ATOM 744 C GLU A 49 3.146 15.608 -16.330 1.00 0.00 C ATOM 745 O GLU A 49 4.124 14.879 -16.473 1.00 0.00 O ATOM 746 CB GLU A 49 1.414 15.701 -18.124 1.00 0.00 C ATOM 747 CG GLU A 49 1.760 14.530 -19.031 1.00 0.00 C ATOM 748 CD GLU A 49 0.499 13.701 -19.274 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.322 14.150 -20.108 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.352 12.680 -18.562 1.00 0.00 O ATOM 0 H GLU A 49 4.156 15.854 -18.769 1.00 0.00 H new ATOM 0 HA GLU A 49 2.291 17.390 -17.110 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.772 15.339 -17.321 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.832 16.422 -18.697 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.161 14.892 -19.978 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.533 13.914 -18.572 1.00 0.00 H new ATOM 757 N VAL A 50 2.489 15.709 -15.169 1.00 0.00 N ATOM 758 CA VAL A 50 2.762 14.837 -14.009 1.00 0.00 C ATOM 759 C VAL A 50 1.471 14.207 -13.497 1.00 0.00 C ATOM 760 O VAL A 50 0.499 14.913 -13.215 1.00 0.00 O ATOM 761 CB VAL A 50 3.447 15.599 -12.858 1.00 0.00 C ATOM 762 CG1 VAL A 50 3.749 14.697 -11.650 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.774 16.232 -13.292 1.00 0.00 C ATOM 0 H VAL A 50 1.753 16.395 -15.002 1.00 0.00 H new ATOM 0 HA VAL A 50 3.442 14.058 -14.353 1.00 0.00 H new ATOM 0 HB VAL A 50 2.733 16.372 -12.575 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.231 15.285 -10.869 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.818 14.278 -11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.412 13.888 -11.957 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.220 16.758 -12.448 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.455 15.452 -13.634 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.593 16.937 -14.104 1.00 0.00 H new ATOM 773 N THR A 51 1.506 12.884 -13.288 1.00 0.00 N ATOM 774 CA THR A 51 0.405 12.101 -12.710 1.00 0.00 C ATOM 775 C THR A 51 0.910 11.192 -11.589 1.00 0.00 C ATOM 776 O THR A 51 1.931 10.523 -11.729 1.00 0.00 O ATOM 777 CB THR A 51 -0.274 11.213 -13.766 1.00 0.00 C ATOM 778 OG1 THR A 51 -0.545 11.922 -14.953 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.627 10.658 -13.363 1.00 0.00 C ATOM 0 H THR A 51 2.320 12.315 -13.522 1.00 0.00 H new ATOM 0 HA THR A 51 -0.314 12.821 -12.319 1.00 0.00 H new ATOM 0 HB THR A 51 0.450 10.408 -13.890 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.975 11.324 -15.600 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.025 10.046 -14.172 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.518 10.048 -12.466 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.312 11.481 -13.161 1.00 0.00 H new ATOM 787 N VAL A 52 0.150 11.078 -10.504 1.00 0.00 N ATOM 788 CA VAL A 52 0.355 10.157 -9.375 1.00 0.00 C ATOM 789 C VAL A 52 -0.933 9.389 -9.110 1.00 0.00 C ATOM 790 O VAL A 52 -2.013 9.948 -9.263 1.00 0.00 O ATOM 791 CB VAL A 52 0.836 10.919 -8.130 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.098 12.047 -7.672 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.044 9.967 -6.949 1.00 0.00 C ATOM 0 H VAL A 52 -0.678 11.659 -10.375 1.00 0.00 H new ATOM 0 HA VAL A 52 1.136 9.440 -9.627 1.00 0.00 H new ATOM 0 HB VAL A 52 1.775 11.376 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.320 12.529 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.201 12.781 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.077 11.633 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.384 10.532 -6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.103 9.470 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.793 9.220 -7.212 1.00 0.00 H new ATOM 803 N ALA A 53 -0.838 8.094 -8.802 1.00 0.00 N ATOM 804 CA ALA A 53 -1.969 7.165 -8.661 1.00 0.00 C ATOM 805 C ALA A 53 -3.074 7.323 -9.744 1.00 0.00 C ATOM 806 O ALA A 53 -4.260 7.111 -9.470 1.00 0.00 O ATOM 807 CB ALA A 53 -2.502 7.266 -7.222 1.00 0.00 C ATOM 0 H ALA A 53 0.062 7.643 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.605 6.154 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.343 6.584 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.711 7.000 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.831 8.287 -7.027 1.00 0.00 H new ATOM 813 N GLY A 54 -2.727 7.757 -10.967 1.00 0.00 N ATOM 814 CA GLY A 54 -3.702 8.124 -12.002 1.00 0.00 C ATOM 815 C GLY A 54 -4.546 9.353 -11.639 1.00 0.00 C ATOM 816 O GLY A 54 -5.774 9.274 -11.653 1.00 0.00 O ATOM 0 H GLY A 54 -1.757 7.863 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.174 8.319 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.365 7.278 -12.182 1.00 0.00 H new ATOM 820 N LYS A 55 -3.894 10.455 -11.251 1.00 0.00 N ATOM 821 CA LYS A 55 -4.405 11.784 -10.876 1.00 0.00 C ATOM 822 C LYS A 55 -3.410 12.850 -11.370 1.00 0.00 C ATOM 823 O LYS A 55 -2.249 12.825 -10.957 1.00 0.00 O ATOM 824 CB LYS A 55 -4.553 11.903 -9.351 1.00 0.00 C ATOM 825 CG LYS A 55 -5.272 10.766 -8.605 1.00 0.00 C ATOM 826 CD LYS A 55 -6.773 10.679 -8.916 1.00 0.00 C ATOM 827 CE LYS A 55 -7.365 9.330 -8.479 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.825 8.209 -9.291 1.00 0.00 N ATOM 0 H LYS A 55 -2.876 10.437 -11.184 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.385 11.929 -11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.555 12.003 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.084 12.831 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.800 9.818 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.139 10.906 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.298 11.489 -8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.932 10.817 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.142 9.158 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.450 9.360 -8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.496 7.414 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.687 8.526 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.914 7.901 -8.895 1.00 0.00 H new ATOM 842 N LEU A 56 -3.813 13.708 -12.308 1.00 0.00 N ATOM 843 CA LEU A 56 -2.974 14.792 -12.837 1.00 0.00 C ATOM 844 C LEU A 56 -2.749 15.868 -11.777 1.00 0.00 C ATOM 845 O LEU A 56 -3.691 16.368 -11.165 1.00 0.00 O ATOM 846 CB LEU A 56 -3.605 15.321 -14.134 1.00 0.00 C ATOM 847 CG LEU A 56 -2.895 16.493 -14.842 1.00 0.00 C ATOM 848 CD1 LEU A 56 -3.265 16.468 -16.328 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.303 17.879 -14.327 1.00 0.00 C ATOM 0 H LEU A 56 -4.741 13.672 -12.729 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.980 14.421 -13.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.671 14.492 -14.839 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.626 15.631 -13.910 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.831 16.353 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.769 17.292 -16.840 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.945 15.523 -16.767 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.345 16.571 -16.436 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.758 18.646 -14.877 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.374 18.020 -14.472 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.067 17.957 -13.266 1.00 0.00 H new ATOM 861 N VAL A 57 -1.478 16.206 -11.588 1.00 0.00 N ATOM 862 CA VAL A 57 -0.999 17.311 -10.743 1.00 0.00 C ATOM 863 C VAL A 57 -0.629 18.516 -11.608 1.00 0.00 C ATOM 864 O VAL A 57 -0.867 19.658 -11.229 1.00 0.00 O ATOM 865 CB VAL A 57 0.225 16.870 -9.911 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.702 17.976 -8.960 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.086 15.623 -9.069 1.00 0.00 C ATOM 0 H VAL A 57 -0.715 15.699 -12.036 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.802 17.592 -10.062 1.00 0.00 H new ATOM 0 HB VAL A 57 1.010 16.647 -10.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.564 17.623 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.983 18.857 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.102 18.235 -8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.798 15.341 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.907 15.841 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.370 14.801 -9.727 1.00 0.00 H new ATOM 877 N HIS A 58 -0.056 18.253 -12.784 1.00 0.00 N ATOM 878 CA HIS A 58 0.599 19.227 -13.647 1.00 0.00 C ATOM 879 C HIS A 58 0.282 18.977 -15.116 1.00 0.00 C ATOM 880 O HIS A 58 0.193 17.836 -15.563 1.00 0.00 O ATOM 881 CB HIS A 58 2.100 19.023 -13.482 1.00 0.00 C ATOM 882 CG HIS A 58 2.981 19.820 -14.411 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.142 21.181 -14.441 1.00 0.00 N ATOM 884 CD2 HIS A 58 3.653 19.303 -15.486 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.879 21.467 -15.528 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.210 20.362 -16.204 1.00 0.00 N ATOM 0 H HIS A 58 -0.037 17.311 -13.175 1.00 0.00 H new ATOM 0 HA HIS A 58 0.260 20.227 -13.374 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.370 19.271 -12.455 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.321 17.965 -13.623 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.772 21.850 -13.766 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.737 18.256 -15.735 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.168 22.466 -15.819 1.00 0.00 H new ATOM 894 N SER A 59 0.272 20.050 -15.898 1.00 0.00 N ATOM 895 CA SER A 59 0.352 19.987 -17.354 1.00 0.00 C ATOM 896 C SER A 59 0.875 21.290 -17.968 1.00 0.00 C ATOM 897 O SER A 59 0.125 22.254 -18.157 1.00 0.00 O ATOM 898 CB SER A 59 -1.031 19.693 -17.940 1.00 0.00 C ATOM 899 OG SER A 59 -0.896 18.911 -19.107 1.00 0.00 O ATOM 0 H SER A 59 0.207 21.001 -15.535 1.00 0.00 H new ATOM 0 HA SER A 59 1.054 19.189 -17.597 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.643 19.167 -17.207 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.544 20.626 -18.173 1.00 0.00 H new ATOM 0 HG SER A 59 -1.783 18.723 -19.479 1.00 0.00 H new ATOM 905 N LYS A 60 2.146 21.393 -18.351 1.00 0.00 N ATOM 906 CA LYS A 60 2.667 22.543 -19.096 1.00 0.00 C ATOM 907 C LYS A 60 1.841 22.878 -20.340 1.00 0.00 C ATOM 908 O LYS A 60 1.639 24.052 -20.635 1.00 0.00 O ATOM 909 CB LYS A 60 4.121 22.251 -19.446 1.00 0.00 C ATOM 910 CG LYS A 60 4.959 23.469 -19.847 1.00 0.00 C ATOM 911 CD LYS A 60 4.969 24.656 -18.891 1.00 0.00 C ATOM 912 CE LYS A 60 3.813 25.644 -19.114 1.00 0.00 C ATOM 913 NZ LYS A 60 4.008 26.942 -18.414 1.00 0.00 N ATOM 0 H LYS A 60 2.848 20.680 -18.154 1.00 0.00 H new ATOM 0 HA LYS A 60 2.598 23.432 -18.469 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.594 21.772 -18.589 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.142 21.531 -20.264 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.989 23.139 -19.986 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.603 23.819 -20.816 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.925 24.286 -17.867 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.914 25.188 -18.997 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.702 25.828 -20.183 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.884 25.189 -18.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.195 27.127 -17.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.877 26.902 -17.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.089 27.706 -19.115 1.00 0.00 H new ATOM 927 N LYS A 61 1.267 21.852 -20.977 1.00 0.00 N ATOM 928 CA LYS A 61 0.291 21.943 -22.085 1.00 0.00 C ATOM 929 C LYS A 61 -0.985 22.720 -21.731 1.00 0.00 C ATOM 930 O LYS A 61 -1.525 23.403 -22.607 1.00 0.00 O ATOM 931 CB LYS A 61 -0.042 20.524 -22.596 1.00 0.00 C ATOM 932 CG LYS A 61 -0.859 20.508 -23.906 1.00 0.00 C ATOM 933 CD LYS A 61 -2.390 20.541 -23.710 1.00 0.00 C ATOM 934 CE LYS A 61 -3.154 21.220 -24.859 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.772 22.647 -25.039 1.00 0.00 N ATOM 0 H LYS A 61 1.476 20.885 -20.727 1.00 0.00 H new ATOM 0 HA LYS A 61 0.764 22.523 -22.878 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.888 19.977 -22.752 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.599 19.992 -21.825 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.565 21.365 -24.512 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.598 19.613 -24.471 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.754 19.519 -23.599 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.616 21.062 -22.780 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.965 20.678 -25.786 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.225 21.157 -24.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.623 23.213 -25.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.313 22.995 -24.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.112 22.732 -25.838 1.00 0.00 H new ATOM 949 N ARG A 62 -1.496 22.588 -20.495 1.00 0.00 N ATOM 950 CA ARG A 62 -2.615 23.391 -19.981 1.00 0.00 C ATOM 951 C ARG A 62 -2.222 24.796 -19.559 1.00 0.00 C ATOM 952 O ARG A 62 -3.077 25.668 -19.518 1.00 0.00 O ATOM 953 CB ARG A 62 -3.402 22.620 -18.899 1.00 0.00 C ATOM 954 CG ARG A 62 -3.079 22.705 -17.389 1.00 0.00 C ATOM 955 CD ARG A 62 -3.330 24.045 -16.692 1.00 0.00 C ATOM 956 NE ARG A 62 -2.997 23.954 -15.262 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.808 23.889 -14.217 1.00 0.00 C ATOM 958 NH1 ARG A 62 -5.100 24.029 -14.311 1.00 0.00 N ATOM 959 NH2 ARG A 62 -3.327 23.671 -13.032 1.00 0.00 N ATOM 0 H ARG A 62 -1.139 21.913 -19.819 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.294 23.551 -20.818 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.445 22.917 -19.007 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.341 21.565 -19.168 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.665 21.943 -16.875 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.029 22.446 -17.253 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.730 24.824 -17.162 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.375 24.333 -16.810 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.001 23.939 -15.045 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.530 24.197 -15.221 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.681 23.970 -13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.322 23.549 -12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.953 23.621 -12.229 1.00 0.00 H new ATOM 973 N GLY A 63 -0.949 25.007 -19.228 1.00 0.00 N ATOM 974 CA GLY A 63 -0.438 26.296 -18.779 1.00 0.00 C ATOM 975 C GLY A 63 0.669 26.159 -17.751 1.00 0.00 C ATOM 976 O GLY A 63 1.422 27.098 -17.515 1.00 0.00 O ATOM 0 H GLY A 63 -0.237 24.277 -19.265 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.064 26.854 -19.638 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.255 26.878 -18.352 1.00 0.00 H new ATOM 980 N ASP A 64 0.806 24.971 -17.165 1.00 0.00 N ATOM 981 CA ASP A 64 0.997 24.873 -15.728 1.00 0.00 C ATOM 982 C ASP A 64 2.351 25.366 -15.226 1.00 0.00 C ATOM 983 O ASP A 64 2.388 26.063 -14.220 1.00 0.00 O ATOM 984 CB ASP A 64 0.739 23.425 -15.348 1.00 0.00 C ATOM 985 CG ASP A 64 0.513 23.274 -13.862 1.00 0.00 C ATOM 986 OD1 ASP A 64 1.507 23.050 -13.140 1.00 0.00 O ATOM 987 OD2 ASP A 64 -0.687 23.347 -13.520 1.00 0.00 O ATOM 0 H ASP A 64 0.788 24.078 -17.658 1.00 0.00 H new ATOM 0 HA ASP A 64 0.295 25.547 -15.237 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.132 23.056 -15.889 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.587 22.811 -15.652 1.00 0.00 H new ATOM 992 N GLY A 65 3.444 25.071 -15.943 1.00 0.00 N ATOM 993 CA GLY A 65 4.798 25.422 -15.456 1.00 0.00 C ATOM 994 C GLY A 65 5.413 24.375 -14.516 1.00 0.00 C ATOM 995 O GLY A 65 4.702 23.622 -13.863 1.00 0.00 O ATOM 0 H GLY A 65 3.426 24.599 -16.847 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.458 25.558 -16.313 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.750 26.379 -14.936 1.00 0.00 H new ATOM 999 N TYR A 66 6.738 24.286 -14.505 1.00 0.00 N ATOM 1000 CA TYR A 66 7.556 23.347 -13.726 1.00 0.00 C ATOM 1001 C TYR A 66 7.501 23.610 -12.213 1.00 0.00 C ATOM 1002 O TYR A 66 6.544 24.194 -11.712 1.00 0.00 O ATOM 1003 CB TYR A 66 8.983 23.415 -14.297 1.00 0.00 C ATOM 1004 CG TYR A 66 9.174 22.877 -15.705 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.361 21.838 -16.205 1.00 0.00 C ATOM 1006 CD2 TYR A 66 10.235 23.369 -16.491 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.619 21.298 -17.470 1.00 0.00 C ATOM 1008 CE2 TYR A 66 10.501 22.817 -17.761 1.00 0.00 C ATOM 1009 CZ TYR A 66 9.691 21.770 -18.248 1.00 0.00 C ATOM 1010 OH TYR A 66 9.965 21.142 -19.418 1.00 0.00 O ATOM 0 H TYR A 66 7.313 24.906 -15.076 1.00 0.00 H new ATOM 0 HA TYR A 66 7.160 22.336 -13.824 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.308 24.455 -14.282 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.645 22.865 -13.628 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.541 21.460 -15.613 1.00 0.00 H new ATOM 0 HD2 TYR A 66 10.849 24.175 -16.118 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.988 20.510 -17.853 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.319 23.193 -18.357 1.00 0.00 H new ATOM 0 HH TYR A 66 9.586 20.238 -19.401 1.00 0.00 H new ATOM 1020 N VAL A 67 8.495 23.153 -11.443 1.00 0.00 N ATOM 1021 CA VAL A 67 8.729 23.789 -10.139 1.00 0.00 C ATOM 1022 C VAL A 67 9.382 25.151 -10.332 1.00 0.00 C ATOM 1023 O VAL A 67 10.584 25.355 -10.227 1.00 0.00 O ATOM 1024 CB VAL A 67 9.429 22.948 -9.083 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.533 21.766 -8.686 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.798 22.369 -9.466 1.00 0.00 C ATOM 0 H VAL A 67 9.122 22.385 -11.681 1.00 0.00 H new ATOM 0 HA VAL A 67 7.737 23.913 -9.705 1.00 0.00 H new ATOM 0 HB VAL A 67 9.609 23.652 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.037 21.165 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.592 22.142 -8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.332 21.151 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.194 21.790 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.689 21.723 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.484 23.183 -9.701 1.00 0.00 H new ATOM 1036 N ASP A 68 8.519 26.091 -10.662 1.00 0.00 N ATOM 1037 CA ASP A 68 8.825 27.474 -10.963 1.00 0.00 C ATOM 1038 C ASP A 68 9.202 28.268 -9.697 1.00 0.00 C ATOM 1039 O ASP A 68 9.874 29.294 -9.765 1.00 0.00 O ATOM 1040 CB ASP A 68 7.585 28.068 -11.612 1.00 0.00 C ATOM 1041 CG ASP A 68 7.033 27.291 -12.824 1.00 0.00 C ATOM 1042 OD1 ASP A 68 7.759 27.002 -13.805 1.00 0.00 O ATOM 1043 OD2 ASP A 68 5.841 26.919 -12.746 1.00 0.00 O ATOM 0 H ASP A 68 7.520 25.895 -10.731 1.00 0.00 H new ATOM 0 HA ASP A 68 9.688 27.528 -11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.800 28.137 -10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.814 29.086 -11.929 1.00 0.00 H new ATOM 1048 N THR A 69 8.756 27.806 -8.521 1.00 0.00 N ATOM 1049 CA THR A 69 8.999 28.421 -7.228 1.00 0.00 C ATOM 1050 C THR A 69 9.126 27.381 -6.117 1.00 0.00 C ATOM 1051 O THR A 69 8.657 26.247 -6.234 1.00 0.00 O ATOM 1052 CB THR A 69 7.837 29.351 -6.870 1.00 0.00 C ATOM 1053 OG1 THR A 69 6.568 28.754 -7.002 1.00 0.00 O ATOM 1054 CG2 THR A 69 7.810 30.667 -7.641 1.00 0.00 C ATOM 0 H THR A 69 8.194 26.958 -8.452 1.00 0.00 H new ATOM 0 HA THR A 69 9.936 28.973 -7.307 1.00 0.00 H new ATOM 0 HB THR A 69 8.038 29.564 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.875 29.402 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.953 31.259 -7.320 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.728 31.222 -7.446 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.730 30.462 -8.709 1.00 0.00 H new ATOM 1062 N GLU A 70 9.643 27.806 -4.964 1.00 0.00 N ATOM 1063 CA GLU A 70 9.629 26.996 -3.744 1.00 0.00 C ATOM 1064 C GLU A 70 8.230 26.561 -3.317 1.00 0.00 C ATOM 1065 O GLU A 70 7.996 25.393 -3.006 1.00 0.00 O ATOM 1066 CB GLU A 70 10.312 27.773 -2.598 1.00 0.00 C ATOM 1067 CG GLU A 70 11.793 27.419 -2.434 1.00 0.00 C ATOM 1068 CD GLU A 70 11.943 26.081 -1.702 1.00 0.00 C ATOM 1069 OE1 GLU A 70 11.173 25.140 -2.022 1.00 0.00 O ATOM 1070 OE2 GLU A 70 12.768 25.979 -0.762 1.00 0.00 O ATOM 0 H GLU A 70 10.083 28.719 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 70 10.180 26.082 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.218 28.843 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.789 27.566 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.270 27.361 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.302 28.205 -1.877 1.00 0.00 H new ATOM 1077 N SER A 71 7.262 27.481 -3.379 1.00 0.00 N ATOM 1078 CA SER A 71 5.874 27.128 -3.060 1.00 0.00 C ATOM 1079 C SER A 71 5.363 26.013 -3.963 1.00 0.00 C ATOM 1080 O SER A 71 4.708 25.090 -3.487 1.00 0.00 O ATOM 1081 CB SER A 71 4.946 28.342 -3.154 1.00 0.00 C ATOM 1082 OG SER A 71 3.873 28.208 -2.231 1.00 0.00 O ATOM 0 H SER A 71 7.408 28.456 -3.641 1.00 0.00 H new ATOM 0 HA SER A 71 5.869 26.772 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.505 29.254 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.555 28.433 -4.167 1.00 0.00 H new ATOM 0 HG SER A 71 3.285 28.990 -2.297 1.00 0.00 H new ATOM 1088 N LYS A 72 5.704 26.056 -5.255 1.00 0.00 N ATOM 1089 CA LYS A 72 5.438 25.006 -6.224 1.00 0.00 C ATOM 1090 C LYS A 72 6.082 23.670 -5.880 1.00 0.00 C ATOM 1091 O LYS A 72 5.369 22.671 -5.813 1.00 0.00 O ATOM 1092 CB LYS A 72 5.888 25.524 -7.593 1.00 0.00 C ATOM 1093 CG LYS A 72 4.684 26.064 -8.362 1.00 0.00 C ATOM 1094 CD LYS A 72 4.830 25.613 -9.796 1.00 0.00 C ATOM 1095 CE LYS A 72 3.596 26.031 -10.549 1.00 0.00 C ATOM 1096 NZ LYS A 72 3.670 25.470 -11.913 1.00 0.00 N ATOM 0 H LYS A 72 6.190 26.855 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 72 4.370 24.789 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.633 26.309 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.362 24.721 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.754 25.689 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.646 27.152 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.718 26.057 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.956 24.531 -9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.701 25.673 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.526 27.118 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.928 25.896 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.602 25.679 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.532 24.440 -11.873 1.00 0.00 H new ATOM 1110 N PHE A 73 7.383 23.642 -5.601 1.00 0.00 N ATOM 1111 CA PHE A 73 8.053 22.405 -5.177 1.00 0.00 C ATOM 1112 C PHE A 73 7.346 21.787 -3.963 1.00 0.00 C ATOM 1113 O PHE A 73 6.950 20.620 -3.982 1.00 0.00 O ATOM 1114 CB PHE A 73 9.543 22.675 -4.924 1.00 0.00 C ATOM 1115 CG PHE A 73 10.284 21.517 -4.278 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.192 20.212 -4.804 1.00 0.00 C ATOM 1117 CD2 PHE A 73 11.039 21.742 -3.113 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.827 19.141 -4.150 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.670 20.673 -2.455 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.553 19.370 -2.967 1.00 0.00 C ATOM 0 H PHE A 73 7.996 24.455 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 73 7.988 21.667 -5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.023 22.915 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.638 23.554 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.633 20.035 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.134 22.744 -2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.757 18.143 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.244 20.853 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.021 18.544 -2.452 1.00 0.00 H new ATOM 1130 N ARG A 74 7.046 22.613 -2.957 1.00 0.00 N ATOM 1131 CA ARG A 74 6.289 22.253 -1.767 1.00 0.00 C ATOM 1132 C ARG A 74 4.843 21.826 -2.022 1.00 0.00 C ATOM 1133 O ARG A 74 4.349 21.023 -1.238 1.00 0.00 O ATOM 1134 CB ARG A 74 6.372 23.426 -0.773 1.00 0.00 C ATOM 1135 CG ARG A 74 7.407 23.237 0.349 1.00 0.00 C ATOM 1136 CD ARG A 74 8.877 23.301 -0.103 1.00 0.00 C ATOM 1137 NE ARG A 74 9.767 23.397 1.074 1.00 0.00 N ATOM 1138 CZ ARG A 74 11.072 23.607 1.080 1.00 0.00 C ATOM 1139 NH1 ARG A 74 11.803 23.610 0.018 1.00 0.00 N ATOM 1140 NH2 ARG A 74 11.702 23.853 2.189 1.00 0.00 N ATOM 0 H ARG A 74 7.339 23.590 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 74 6.746 21.355 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.613 24.336 -1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.390 23.575 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.242 24.003 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.231 22.273 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.126 22.414 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.028 24.162 -0.754 1.00 0.00 H new ATOM 0 HE ARG A 74 9.323 23.289 1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.378 23.444 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.806 23.779 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.189 23.886 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.709 24.013 2.179 1.00 0.00 H new ATOM 1154 N LYS A 75 4.168 22.261 -3.093 1.00 0.00 N ATOM 1155 CA LYS A 75 2.844 21.749 -3.489 1.00 0.00 C ATOM 1156 C LYS A 75 2.925 20.293 -3.944 1.00 0.00 C ATOM 1157 O LYS A 75 2.044 19.516 -3.588 1.00 0.00 O ATOM 1158 CB LYS A 75 2.171 22.618 -4.578 1.00 0.00 C ATOM 1159 CG LYS A 75 1.109 23.585 -4.023 1.00 0.00 C ATOM 1160 CD LYS A 75 1.729 24.776 -3.289 1.00 0.00 C ATOM 1161 CE LYS A 75 0.676 25.723 -2.713 1.00 0.00 C ATOM 1162 NZ LYS A 75 1.321 26.811 -1.935 1.00 0.00 N ATOM 0 H LYS A 75 4.526 22.985 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 75 2.217 21.803 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.937 23.192 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.706 21.965 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.490 23.950 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.451 23.045 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.364 24.410 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.372 25.327 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.082 26.150 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.009 25.167 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.702 27.646 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.483 26.491 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.231 27.059 -2.373 1.00 0.00 H new ATOM 1176 N LEU A 76 3.995 19.904 -4.647 1.00 0.00 N ATOM 1177 CA LEU A 76 4.180 18.494 -5.012 1.00 0.00 C ATOM 1178 C LEU A 76 4.569 17.681 -3.795 1.00 0.00 C ATOM 1179 O LEU A 76 3.940 16.675 -3.482 1.00 0.00 O ATOM 1180 CB LEU A 76 5.224 18.336 -6.138 1.00 0.00 C ATOM 1181 CG LEU A 76 5.345 16.891 -6.674 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.082 16.415 -7.394 1.00 0.00 C ATOM 1183 CD2 LEU A 76 6.504 16.768 -7.666 1.00 0.00 C ATOM 0 H LEU A 76 4.732 20.531 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 76 3.231 18.116 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.960 18.999 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.197 18.660 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 76 5.512 16.271 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.228 15.394 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.238 16.443 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.879 17.068 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.566 15.741 -8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.335 17.439 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.437 17.035 -7.170 1.00 0.00 H new ATOM 1195 N VAL A 77 5.561 18.178 -3.065 1.00 0.00 N ATOM 1196 CA VAL A 77 6.012 17.530 -1.830 1.00 0.00 C ATOM 1197 C VAL A 77 4.865 17.343 -0.851 1.00 0.00 C ATOM 1198 O VAL A 77 4.726 16.259 -0.302 1.00 0.00 O ATOM 1199 CB VAL A 77 7.205 18.264 -1.194 1.00 0.00 C ATOM 1200 CG1 VAL A 77 7.532 17.768 0.215 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.454 18.089 -2.060 1.00 0.00 C ATOM 0 H VAL A 77 6.071 19.028 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 77 6.370 16.536 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 77 6.913 19.312 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.382 18.325 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.669 17.918 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.779 16.707 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.292 18.613 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.692 17.029 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.269 18.501 -3.052 1.00 0.00 H new ATOM 1211 N THR A 78 3.980 18.326 -0.693 1.00 0.00 N ATOM 1212 CA THR A 78 2.798 18.184 0.160 1.00 0.00 C ATOM 1213 C THR A 78 1.863 17.111 -0.343 1.00 0.00 C ATOM 1214 O THR A 78 1.429 16.266 0.440 1.00 0.00 O ATOM 1215 CB THR A 78 2.028 19.503 0.335 1.00 0.00 C ATOM 1216 OG1 THR A 78 2.890 20.466 0.884 1.00 0.00 O ATOM 1217 CG2 THR A 78 0.833 19.395 1.283 1.00 0.00 C ATOM 0 H THR A 78 4.059 19.236 -1.147 1.00 0.00 H new ATOM 0 HA THR A 78 3.180 17.887 1.137 1.00 0.00 H new ATOM 0 HB THR A 78 1.660 19.771 -0.655 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.357 20.937 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.339 20.364 1.357 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.129 18.657 0.899 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.178 19.087 2.270 1.00 0.00 H new ATOM 1225 N ALA A 79 1.582 17.106 -1.644 1.00 0.00 N ATOM 1226 CA ALA A 79 0.552 16.211 -2.157 1.00 0.00 C ATOM 1227 C ALA A 79 1.031 14.768 -2.227 1.00 0.00 C ATOM 1228 O ALA A 79 0.266 13.831 -2.008 1.00 0.00 O ATOM 1229 CB ALA A 79 0.049 16.730 -3.509 1.00 0.00 C ATOM 0 H ALA A 79 2.038 17.693 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.286 16.206 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.721 16.060 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.369 17.729 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.879 16.770 -4.215 1.00 0.00 H new ATOM 1235 N ILE A 80 2.331 14.599 -2.421 1.00 0.00 N ATOM 1236 CA ILE A 80 2.970 13.301 -2.438 1.00 0.00 C ATOM 1237 C ILE A 80 3.173 12.841 -0.999 1.00 0.00 C ATOM 1238 O ILE A 80 2.946 11.673 -0.732 1.00 0.00 O ATOM 1239 CB ILE A 80 4.260 13.361 -3.272 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.988 13.738 -4.752 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.013 12.029 -3.207 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.239 12.705 -5.605 1.00 0.00 C ATOM 0 H ILE A 80 2.977 15.374 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 80 2.344 12.553 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 80 4.877 14.147 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.418 14.667 -4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.945 13.944 -5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.922 12.095 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.274 11.809 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.379 11.233 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.114 13.091 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.811 11.778 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.260 12.512 -5.166 1.00 0.00 H new ATOM 1254 N LYS A 81 3.455 13.724 -0.031 1.00 0.00 N ATOM 1255 CA LYS A 81 3.624 13.309 1.376 1.00 0.00 C ATOM 1256 C LYS A 81 2.305 12.853 1.977 1.00 0.00 C ATOM 1257 O LYS A 81 2.247 11.827 2.647 1.00 0.00 O ATOM 1258 CB LYS A 81 4.180 14.480 2.194 1.00 0.00 C ATOM 1259 CG LYS A 81 4.700 14.088 3.588 1.00 0.00 C ATOM 1260 CD LYS A 81 5.531 15.223 4.210 1.00 0.00 C ATOM 1261 CE LYS A 81 6.846 15.495 3.459 1.00 0.00 C ATOM 1262 NZ LYS A 81 7.996 14.712 3.967 1.00 0.00 N ATOM 0 H LYS A 81 3.571 14.725 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 81 4.321 12.471 1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.991 14.946 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.399 15.231 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.859 13.850 4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.309 13.187 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.934 16.135 4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.757 14.973 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.703 15.270 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.081 16.557 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.870 15.042 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.075 14.839 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.852 13.705 3.752 1.00 0.00 H new ATOM 1276 N ALA A 82 1.255 13.622 1.705 1.00 0.00 N ATOM 1277 CA ALA A 82 -0.110 13.331 2.134 1.00 0.00 C ATOM 1278 C ALA A 82 -0.643 12.039 1.496 1.00 0.00 C ATOM 1279 O ALA A 82 -1.116 11.148 2.200 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.999 14.539 1.816 1.00 0.00 C ATOM 0 H ALA A 82 1.331 14.485 1.167 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.120 13.159 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.021 14.332 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.625 15.415 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.983 14.730 0.743 1.00 0.00 H new ATOM 1286 N ALA A 83 -0.520 11.911 0.171 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.924 10.698 -0.538 1.00 0.00 C ATOM 1288 C ALA A 83 -0.070 9.476 -0.180 1.00 0.00 C ATOM 1289 O ALA A 83 -0.587 8.361 -0.107 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.944 10.967 -2.043 1.00 0.00 C ATOM 0 H ALA A 83 -0.141 12.640 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.932 10.442 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.245 10.062 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.652 11.766 -2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.051 11.265 -2.373 1.00 0.00 H new ATOM 1296 N LEU A 84 1.211 9.684 0.135 1.00 0.00 N ATOM 1297 CA LEU A 84 2.088 8.630 0.650 1.00 0.00 C ATOM 1298 C LEU A 84 1.586 8.132 1.997 1.00 0.00 C ATOM 1299 O LEU A 84 1.340 6.939 2.160 1.00 0.00 O ATOM 1300 CB LEU A 84 3.545 9.117 0.743 1.00 0.00 C ATOM 1301 CG LEU A 84 4.620 8.068 1.035 1.00 0.00 C ATOM 1302 CD1 LEU A 84 4.845 7.811 2.524 1.00 0.00 C ATOM 1303 CD2 LEU A 84 4.328 6.752 0.308 1.00 0.00 C ATOM 0 H LEU A 84 1.670 10.590 0.040 1.00 0.00 H new ATOM 0 HA LEU A 84 2.067 7.795 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.798 9.606 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.597 9.878 1.521 1.00 0.00 H new ATOM 0 HG LEU A 84 5.547 8.493 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.621 7.056 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.156 8.736 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.918 7.458 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.111 6.029 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.365 6.361 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.300 6.929 -0.767 1.00 0.00 H new ATOM 1315 N ALA A 85 1.385 9.048 2.940 1.00 0.00 N ATOM 1316 CA ALA A 85 0.851 8.713 4.266 1.00 0.00 C ATOM 1317 C ALA A 85 -0.529 8.023 4.252 1.00 0.00 C ATOM 1318 O ALA A 85 -0.881 7.293 5.179 1.00 0.00 O ATOM 1319 CB ALA A 85 0.853 9.973 5.137 1.00 0.00 C ATOM 0 H ALA A 85 1.585 10.040 2.812 1.00 0.00 H new ATOM 0 HA ALA A 85 1.512 7.960 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.458 9.734 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.873 10.346 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.230 10.737 4.672 1.00 0.00 H new ATOM 1325 N GLN A 86 -1.289 8.188 3.172 1.00 0.00 N ATOM 1326 CA GLN A 86 -2.570 7.517 2.938 1.00 0.00 C ATOM 1327 C GLN A 86 -2.382 6.087 2.415 1.00 0.00 C ATOM 1328 O GLN A 86 -2.975 5.140 2.922 1.00 0.00 O ATOM 1329 CB GLN A 86 -3.426 8.396 2.013 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.898 7.965 1.997 1.00 0.00 C ATOM 1331 CD GLN A 86 -5.747 8.961 1.217 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.735 9.012 0.004 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -6.502 9.814 1.870 1.00 0.00 N ATOM 0 H GLN A 86 -1.024 8.812 2.410 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.101 7.399 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.358 9.434 2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.026 8.351 1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.987 6.976 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.269 7.886 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.531 9.793 2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.060 10.497 1.358 1.00 0.00 H new ATOM 1342 N CYS A 87 -1.496 5.922 1.438 1.00 0.00 N ATOM 1343 CA CYS A 87 -1.095 4.630 0.865 1.00 0.00 C ATOM 1344 C CYS A 87 -0.315 3.733 1.854 1.00 0.00 C ATOM 1345 O CYS A 87 -0.388 2.498 1.785 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.282 4.930 -0.400 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.465 3.606 -1.632 1.00 0.00 S ATOM 0 H CYS A 87 -1.016 6.710 1.003 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.987 4.051 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.609 5.877 -0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.770 5.045 -0.140 1.00 0.00 H new ATOM 0 HG CYS A 87 0.235 3.896 -2.688 1.00 0.00 H new ATOM 1353 N GLN A 88 0.366 4.350 2.831 1.00 0.00 N ATOM 1354 CA GLN A 88 0.945 3.649 3.988 1.00 0.00 C ATOM 1355 C GLN A 88 -0.106 2.898 4.820 1.00 0.00 C ATOM 1356 O GLN A 88 0.183 1.806 5.309 1.00 0.00 O ATOM 1357 CB GLN A 88 1.717 4.623 4.910 1.00 0.00 C ATOM 1358 CG GLN A 88 3.136 4.981 4.437 1.00 0.00 C ATOM 1359 CD GLN A 88 3.869 5.916 5.415 1.00 0.00 C ATOM 1360 OE1 GLN A 88 3.462 7.029 5.699 1.00 0.00 O ATOM 1361 NE2 GLN A 88 4.992 5.529 5.980 1.00 0.00 N ATOM 0 H GLN A 88 0.532 5.356 2.841 1.00 0.00 H new ATOM 0 HA GLN A 88 1.634 2.915 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.140 5.543 5.006 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.782 4.182 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.715 4.066 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.079 5.458 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.374 4.606 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.480 6.152 6.623 1.00 0.00 H new TER 1370 GLN A 88