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 18 LYS NZ :NH3+ -170:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 21 GLN : amide:sc= 0.303 K(o=1.6,f=-6.5!) USER MOD Set 2.1: A 1 MET N :NH3+ 155:sc= 1.01 (180deg=0.446) USER MOD Set 2.2: A 87 CYS SG : rot -146:sc= 1.38 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 170:sc= 1.17 USER MOD Single : A 13 CYS SG : rot 45:sc= 0.16 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 167:sc= -0.76 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 1.75 (180deg=1.38) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0.528 (180deg=0.348) USER MOD Single : A 28 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-1.4) USER MOD Single : A 33 CYS SG : rot 62:sc= 0.166 USER MOD Single : A 37 CYS SG : rot 75:sc= 0.741 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.000539 USER MOD Single : A 43 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 39:sc= 0.0444 USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= 0.673 (180deg=0.105) USER MOD Single : A 58 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-3.3!) USER MOD Single : A 59 SER OG : rot 114:sc= 1.58 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= 0.94 (180deg=0.818) USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= 0.445 (180deg=-0.22) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.307 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 2.86 (180deg=2.68) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 0.916 (180deg=0.479) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.964) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0.985 K(o=0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.168 1.043 0.463 1.00 0.00 N ATOM 2 CA MET A 1 1.338 0.321 -0.080 1.00 0.00 C ATOM 3 C MET A 1 2.409 1.355 -0.421 1.00 0.00 C ATOM 4 O MET A 1 2.474 2.363 0.275 1.00 0.00 O ATOM 5 CB MET A 1 0.943 -0.574 -1.269 1.00 0.00 C ATOM 6 CG MET A 1 0.045 -1.748 -0.870 1.00 0.00 C ATOM 7 SD MET A 1 -0.290 -2.875 -2.248 1.00 0.00 S ATOM 8 CE MET A 1 -1.639 -3.836 -1.518 1.00 0.00 C ATOM 0 H1 MET A 1 -0.691 0.476 0.312 1.00 0.00 H new ATOM 0 H2 MET A 1 0.301 1.204 1.482 1.00 0.00 H new ATOM 0 H3 MET A 1 0.069 1.958 -0.022 1.00 0.00 H new ATOM 0 HA MET A 1 1.747 -0.367 0.660 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.428 0.031 -2.015 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.847 -0.960 -1.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.518 -2.303 -0.060 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.899 -1.363 -0.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.978 -4.588 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.286 -4.328 -0.612 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.467 -3.171 -1.271 1.00 0.00 H new ATOM 20 N ALA A 2 3.245 1.162 -1.451 1.00 0.00 N ATOM 21 CA ALA A 2 4.028 2.258 -2.044 1.00 0.00 C ATOM 22 C ALA A 2 3.120 3.270 -2.775 1.00 0.00 C ATOM 23 O ALA A 2 1.895 3.127 -2.822 1.00 0.00 O ATOM 24 CB ALA A 2 5.078 1.665 -2.997 1.00 0.00 C ATOM 0 H ALA A 2 3.397 0.255 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 2 4.532 2.806 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.663 2.471 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.739 1.000 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.578 1.103 -3.786 1.00 0.00 H new ATOM 30 N LEU A 3 3.731 4.274 -3.404 1.00 0.00 N ATOM 31 CA LEU A 3 3.138 5.119 -4.424 1.00 0.00 C ATOM 32 C LEU A 3 3.935 4.940 -5.717 1.00 0.00 C ATOM 33 O LEU A 3 5.107 4.575 -5.680 1.00 0.00 O ATOM 34 CB LEU A 3 3.200 6.576 -3.939 1.00 0.00 C ATOM 35 CG LEU A 3 1.966 7.432 -4.247 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.683 6.918 -3.591 1.00 0.00 C ATOM 37 CD2 LEU A 3 2.219 8.845 -3.718 1.00 0.00 C ATOM 0 H LEU A 3 4.698 4.527 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 3 2.098 4.852 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.358 6.574 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.071 7.052 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 3 1.820 7.400 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.148 7.573 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.474 5.908 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.808 6.906 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.352 9.472 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.388 8.806 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.097 9.265 -4.208 1.00 0.00 H new ATOM 49 N ALA A 4 3.311 5.255 -6.844 1.00 0.00 N ATOM 50 CA ALA A 4 3.877 5.083 -8.181 1.00 0.00 C ATOM 51 C ALA A 4 3.573 6.287 -9.083 1.00 0.00 C ATOM 52 O ALA A 4 2.406 6.668 -9.219 1.00 0.00 O ATOM 53 CB ALA A 4 3.310 3.775 -8.752 1.00 0.00 C ATOM 0 H ALA A 4 2.370 5.649 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 4 4.964 5.026 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.710 3.611 -9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.593 2.943 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.223 3.841 -8.802 1.00 0.00 H new ATOM 59 N VAL A 5 4.594 6.881 -9.715 1.00 0.00 N ATOM 60 CA VAL A 5 4.494 8.141 -10.471 1.00 0.00 C ATOM 61 C VAL A 5 5.159 8.014 -11.843 1.00 0.00 C ATOM 62 O VAL A 5 6.139 7.301 -12.041 1.00 0.00 O ATOM 63 CB VAL A 5 5.074 9.340 -9.682 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.830 10.732 -10.285 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.564 9.410 -8.240 1.00 0.00 C ATOM 0 H VAL A 5 5.536 6.491 -9.716 1.00 0.00 H new ATOM 0 HA VAL A 5 3.433 8.339 -10.624 1.00 0.00 H new ATOM 0 HB VAL A 5 6.141 9.122 -9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.282 11.490 -9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.277 10.782 -11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.758 10.913 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.006 10.271 -7.739 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.479 9.509 -8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.844 8.499 -7.711 1.00 0.00 H new ATOM 75 N ARG A 6 4.616 8.733 -12.816 1.00 0.00 N ATOM 76 CA ARG A 6 5.092 8.880 -14.202 1.00 0.00 C ATOM 77 C ARG A 6 5.284 10.357 -14.545 1.00 0.00 C ATOM 78 O ARG A 6 4.628 11.205 -13.943 1.00 0.00 O ATOM 79 CB ARG A 6 4.066 8.221 -15.159 1.00 0.00 C ATOM 80 CG ARG A 6 4.629 7.103 -16.054 1.00 0.00 C ATOM 81 CD ARG A 6 5.339 5.977 -15.291 1.00 0.00 C ATOM 82 NE ARG A 6 4.543 5.439 -14.175 1.00 0.00 N ATOM 83 CZ ARG A 6 5.002 4.793 -13.119 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.188 4.269 -13.038 1.00 0.00 N ATOM 85 NH2 ARG A 6 4.272 4.685 -12.053 1.00 0.00 N ATOM 0 H ARG A 6 3.766 9.273 -12.654 1.00 0.00 H new ATOM 0 HA ARG A 6 6.057 8.385 -14.313 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.249 7.812 -14.564 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.639 8.995 -15.797 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.813 6.673 -16.635 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.329 7.541 -16.765 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.573 5.169 -15.984 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.287 6.351 -14.905 1.00 0.00 H new ATOM 0 HE ARG A 6 3.534 5.580 -14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.833 4.343 -13.825 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.474 3.783 -12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.340 5.100 -12.029 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.629 4.185 -11.239 1.00 0.00 H new ATOM 99 N VAL A 7 6.102 10.642 -15.560 1.00 0.00 N ATOM 100 CA VAL A 7 6.237 11.959 -16.198 1.00 0.00 C ATOM 101 C VAL A 7 6.278 11.759 -17.712 1.00 0.00 C ATOM 102 O VAL A 7 7.339 11.428 -18.245 1.00 0.00 O ATOM 103 CB VAL A 7 7.522 12.706 -15.764 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.564 14.101 -16.407 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.658 12.850 -14.248 1.00 0.00 C ATOM 0 H VAL A 7 6.712 9.939 -15.977 1.00 0.00 H new ATOM 0 HA VAL A 7 5.385 12.565 -15.890 1.00 0.00 H new ATOM 0 HB VAL A 7 8.358 12.097 -16.107 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.472 14.618 -16.095 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.557 14.002 -17.492 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.693 14.674 -16.090 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.580 13.382 -14.014 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.807 13.409 -13.858 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.684 11.861 -13.789 1.00 0.00 H new ATOM 115 N VAL A 8 5.156 11.912 -18.412 1.00 0.00 N ATOM 116 CA VAL A 8 5.175 11.890 -19.884 1.00 0.00 C ATOM 117 C VAL A 8 5.758 13.195 -20.417 1.00 0.00 C ATOM 118 O VAL A 8 5.402 14.268 -19.926 1.00 0.00 O ATOM 119 CB VAL A 8 3.804 11.546 -20.491 1.00 0.00 C ATOM 120 CG1 VAL A 8 2.702 12.541 -20.152 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.873 11.373 -22.011 1.00 0.00 C ATOM 0 H VAL A 8 4.234 12.051 -17.998 1.00 0.00 H new ATOM 0 HA VAL A 8 5.829 11.079 -20.205 1.00 0.00 H new ATOM 0 HB VAL A 8 3.540 10.597 -20.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.769 12.224 -20.619 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.570 12.584 -19.071 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.976 13.528 -20.523 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.882 11.131 -22.395 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.223 12.299 -22.467 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.563 10.565 -22.254 1.00 0.00 H new ATOM 131 N TYR A 9 6.685 13.116 -21.378 1.00 0.00 N ATOM 132 CA TYR A 9 7.216 14.283 -22.073 1.00 0.00 C ATOM 133 C TYR A 9 7.714 13.921 -23.494 1.00 0.00 C ATOM 134 O TYR A 9 7.204 13.011 -24.142 1.00 0.00 O ATOM 135 CB TYR A 9 8.237 15.013 -21.164 1.00 0.00 C ATOM 136 CG TYR A 9 8.682 16.369 -21.697 1.00 0.00 C ATOM 137 CD1 TYR A 9 7.717 17.324 -22.074 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.044 16.638 -21.920 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.102 18.563 -22.618 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.439 17.871 -22.477 1.00 0.00 C ATOM 141 CZ TYR A 9 9.472 18.839 -22.815 1.00 0.00 C ATOM 142 OH TYR A 9 9.857 20.029 -23.342 1.00 0.00 O ATOM 0 H TYR A 9 7.087 12.233 -21.694 1.00 0.00 H new ATOM 0 HA TYR A 9 6.423 15.007 -22.260 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.796 15.149 -20.176 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.114 14.378 -21.037 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.668 17.102 -21.944 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.789 15.899 -21.664 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.355 19.297 -22.883 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.486 18.075 -22.645 1.00 0.00 H new ATOM 0 HH TYR A 9 10.834 20.056 -23.409 1.00 0.00 H new ATOM 152 N SER A 10 8.659 14.692 -24.026 1.00 0.00 N ATOM 153 CA SER A 10 9.220 14.646 -25.378 1.00 0.00 C ATOM 154 C SER A 10 10.749 14.852 -25.351 1.00 0.00 C ATOM 155 O SER A 10 11.347 15.105 -24.304 1.00 0.00 O ATOM 156 CB SER A 10 8.499 15.719 -26.202 1.00 0.00 C ATOM 157 OG SER A 10 8.874 15.705 -27.563 1.00 0.00 O ATOM 0 H SER A 10 9.092 15.432 -23.474 1.00 0.00 H new ATOM 0 HA SER A 10 9.065 13.668 -25.834 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.422 15.568 -26.125 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.714 16.701 -25.780 1.00 0.00 H new ATOM 0 HG SER A 10 8.274 16.288 -28.074 1.00 0.00 H new ATOM 163 N GLY A 11 11.392 14.742 -26.515 1.00 0.00 N ATOM 164 CA GLY A 11 12.854 14.806 -26.685 1.00 0.00 C ATOM 165 C GLY A 11 13.424 16.201 -26.980 1.00 0.00 C ATOM 166 O GLY A 11 14.618 16.334 -27.217 1.00 0.00 O ATOM 0 H GLY A 11 10.898 14.601 -27.396 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.325 14.424 -25.779 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.138 14.137 -27.498 1.00 0.00 H new ATOM 170 N ALA A 12 12.582 17.238 -26.999 1.00 0.00 N ATOM 171 CA ALA A 12 12.874 18.577 -27.527 1.00 0.00 C ATOM 172 C ALA A 12 13.881 19.436 -26.721 1.00 0.00 C ATOM 173 O ALA A 12 14.120 20.586 -27.083 1.00 0.00 O ATOM 174 CB ALA A 12 11.525 19.300 -27.664 1.00 0.00 C ATOM 0 H ALA A 12 11.634 17.165 -26.630 1.00 0.00 H new ATOM 0 HA ALA A 12 13.388 18.441 -28.479 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.689 20.304 -28.055 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.883 18.745 -28.348 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.046 19.364 -26.687 1.00 0.00 H new ATOM 180 N CYS A 13 14.441 18.935 -25.617 1.00 0.00 N ATOM 181 CA CYS A 13 15.384 19.661 -24.756 1.00 0.00 C ATOM 182 C CYS A 13 16.264 18.706 -23.932 1.00 0.00 C ATOM 183 O CYS A 13 16.084 17.489 -23.971 1.00 0.00 O ATOM 184 CB CYS A 13 14.580 20.614 -23.844 1.00 0.00 C ATOM 185 SG CYS A 13 14.707 22.299 -24.500 1.00 0.00 S ATOM 0 H CYS A 13 14.248 17.989 -25.287 1.00 0.00 H new ATOM 0 HA CYS A 13 16.067 20.237 -25.381 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.536 20.304 -23.801 1.00 0.00 H new ATOM 0 HB3 CYS A 13 14.966 20.576 -22.825 1.00 0.00 H new ATOM 0 HG CYS A 13 14.525 22.278 -25.787 1.00 0.00 H new ATOM 191 N GLY A 14 17.162 19.259 -23.104 1.00 0.00 N ATOM 192 CA GLY A 14 17.943 18.551 -22.075 1.00 0.00 C ATOM 193 C GLY A 14 17.103 17.981 -20.916 1.00 0.00 C ATOM 194 O GLY A 14 17.373 18.257 -19.750 1.00 0.00 O ATOM 0 H GLY A 14 17.374 20.256 -23.133 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.488 17.734 -22.548 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.686 19.235 -21.666 1.00 0.00 H new ATOM 198 N TYR A 15 16.082 17.184 -21.241 1.00 0.00 N ATOM 199 CA TYR A 15 15.101 16.596 -20.329 1.00 0.00 C ATOM 200 C TYR A 15 15.748 15.760 -19.227 1.00 0.00 C ATOM 201 O TYR A 15 15.582 16.093 -18.061 1.00 0.00 O ATOM 202 CB TYR A 15 14.085 15.777 -21.145 1.00 0.00 C ATOM 203 CG TYR A 15 13.133 14.897 -20.343 1.00 0.00 C ATOM 204 CD1 TYR A 15 12.141 15.472 -19.522 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.191 13.495 -20.482 1.00 0.00 C ATOM 206 CE1 TYR A 15 11.178 14.657 -18.888 1.00 0.00 C ATOM 207 CE2 TYR A 15 12.247 12.679 -19.830 1.00 0.00 C ATOM 208 CZ TYR A 15 11.229 13.254 -19.044 1.00 0.00 C ATOM 209 OH TYR A 15 10.296 12.441 -18.483 1.00 0.00 O ATOM 0 H TYR A 15 15.909 16.916 -22.210 1.00 0.00 H new ATOM 0 HA TYR A 15 14.583 17.405 -19.813 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.491 16.467 -21.745 1.00 0.00 H new ATOM 0 HB3 TYR A 15 14.635 15.143 -21.840 1.00 0.00 H new ATOM 0 HD1 TYR A 15 12.118 16.542 -19.377 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.962 13.046 -21.090 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.403 15.106 -18.284 1.00 0.00 H new ATOM 0 HE2 TYR A 15 12.304 11.605 -19.933 1.00 0.00 H new ATOM 0 HH TYR A 15 10.500 11.508 -18.703 1.00 0.00 H new ATOM 219 N LYS A 16 16.480 14.688 -19.566 1.00 0.00 N ATOM 220 CA LYS A 16 16.948 13.683 -18.590 1.00 0.00 C ATOM 221 C LYS A 16 17.587 14.248 -17.307 1.00 0.00 C ATOM 222 O LYS A 16 17.155 13.813 -16.240 1.00 0.00 O ATOM 223 CB LYS A 16 17.823 12.605 -19.251 1.00 0.00 C ATOM 224 CG LYS A 16 17.000 11.714 -20.196 1.00 0.00 C ATOM 225 CD LYS A 16 17.772 10.447 -20.591 1.00 0.00 C ATOM 226 CE LYS A 16 16.875 9.537 -21.440 1.00 0.00 C ATOM 227 NZ LYS A 16 17.487 8.201 -21.649 1.00 0.00 N ATOM 0 H LYS A 16 16.766 14.490 -20.525 1.00 0.00 H new ATOM 0 HA LYS A 16 16.033 13.208 -18.236 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.630 13.081 -19.808 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.288 11.989 -18.481 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.064 11.435 -19.711 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.739 12.276 -21.092 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.668 10.715 -21.151 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.102 9.917 -19.697 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.908 9.421 -20.951 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.690 10.007 -22.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.852 7.615 -22.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.398 8.309 -22.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.640 7.742 -20.729 1.00 0.00 H new ATOM 241 N PRO A 17 18.530 15.212 -17.337 1.00 0.00 N ATOM 242 CA PRO A 17 19.039 15.813 -16.102 1.00 0.00 C ATOM 243 C PRO A 17 18.046 16.752 -15.397 1.00 0.00 C ATOM 244 O PRO A 17 18.042 16.783 -14.168 1.00 0.00 O ATOM 245 CB PRO A 17 20.324 16.542 -16.505 1.00 0.00 C ATOM 246 CG PRO A 17 20.082 16.904 -17.969 1.00 0.00 C ATOM 247 CD PRO A 17 19.271 15.716 -18.486 1.00 0.00 C ATOM 0 HA PRO A 17 19.216 15.036 -15.358 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.491 17.429 -15.894 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.201 15.905 -16.388 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.534 17.841 -18.068 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.018 17.023 -18.516 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.595 16.022 -19.284 1.00 0.00 H new ATOM 0 HD3 PRO A 17 19.924 14.947 -18.899 1.00 0.00 H new ATOM 255 N LYS A 18 17.172 17.496 -16.100 1.00 0.00 N ATOM 256 CA LYS A 18 16.166 18.350 -15.423 1.00 0.00 C ATOM 257 C LYS A 18 15.009 17.536 -14.828 1.00 0.00 C ATOM 258 O LYS A 18 14.494 17.881 -13.766 1.00 0.00 O ATOM 259 CB LYS A 18 15.654 19.468 -16.354 1.00 0.00 C ATOM 260 CG LYS A 18 15.842 20.868 -15.737 1.00 0.00 C ATOM 261 CD LYS A 18 15.045 21.107 -14.441 1.00 0.00 C ATOM 262 CE LYS A 18 15.360 22.498 -13.876 1.00 0.00 C ATOM 263 NZ LYS A 18 14.658 22.743 -12.593 1.00 0.00 N ATOM 0 H LYS A 18 17.137 17.527 -17.119 1.00 0.00 H new ATOM 0 HA LYS A 18 16.674 18.826 -14.584 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.183 19.418 -17.305 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.598 19.306 -16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.901 21.021 -15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.549 21.618 -16.472 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.977 21.021 -14.641 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.295 20.342 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.435 22.595 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.070 23.259 -14.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.757 23.744 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.650 22.511 -12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.074 22.146 -11.850 1.00 0.00 H new ATOM 277 N TYR A 19 14.654 16.430 -15.483 1.00 0.00 N ATOM 278 CA TYR A 19 13.806 15.347 -14.995 1.00 0.00 C ATOM 279 C TYR A 19 14.359 14.798 -13.686 1.00 0.00 C ATOM 280 O TYR A 19 13.700 14.913 -12.654 1.00 0.00 O ATOM 281 CB TYR A 19 13.741 14.244 -16.059 1.00 0.00 C ATOM 282 CG TYR A 19 13.120 12.949 -15.578 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.789 12.920 -15.125 1.00 0.00 C ATOM 284 CD2 TYR A 19 13.923 11.792 -15.500 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.278 11.749 -14.531 1.00 0.00 C ATOM 286 CE2 TYR A 19 13.416 10.624 -14.906 1.00 0.00 C ATOM 287 CZ TYR A 19 12.102 10.614 -14.400 1.00 0.00 C ATOM 288 OH TYR A 19 11.647 9.517 -13.752 1.00 0.00 O ATOM 0 H TYR A 19 14.975 16.257 -16.436 1.00 0.00 H new ATOM 0 HA TYR A 19 12.800 15.723 -14.807 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.171 14.612 -16.912 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.751 14.039 -16.415 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.161 13.792 -15.232 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.927 11.804 -15.897 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.258 11.722 -14.177 1.00 0.00 H new ATOM 0 HE2 TYR A 19 14.031 9.739 -14.838 1.00 0.00 H new ATOM 0 HH TYR A 19 12.244 8.761 -13.930 1.00 0.00 H new ATOM 298 N LEU A 20 15.589 14.269 -13.721 1.00 0.00 N ATOM 299 CA LEU A 20 16.289 13.835 -12.513 1.00 0.00 C ATOM 300 C LEU A 20 16.314 14.912 -11.441 1.00 0.00 C ATOM 301 O LEU A 20 16.111 14.571 -10.299 1.00 0.00 O ATOM 302 CB LEU A 20 17.731 13.397 -12.789 1.00 0.00 C ATOM 303 CG LEU A 20 17.925 11.878 -12.848 1.00 0.00 C ATOM 304 CD1 LEU A 20 17.320 11.232 -14.090 1.00 0.00 C ATOM 305 CD2 LEU A 20 19.416 11.542 -12.807 1.00 0.00 C ATOM 0 H LEU A 20 16.120 14.132 -14.581 1.00 0.00 H new ATOM 0 HA LEU A 20 15.719 12.978 -12.155 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.056 13.831 -13.735 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.378 13.805 -12.012 1.00 0.00 H new ATOM 0 HG LEU A 20 17.402 11.475 -11.981 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.496 10.157 -14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.247 11.424 -14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.784 11.653 -14.982 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.547 10.461 -12.849 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.916 12.002 -13.660 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.850 11.924 -11.883 1.00 0.00 H new ATOM 317 N GLN A 21 16.521 16.189 -11.741 1.00 0.00 N ATOM 318 CA GLN A 21 16.585 17.216 -10.712 1.00 0.00 C ATOM 319 C GLN A 21 15.311 17.237 -9.856 1.00 0.00 C ATOM 320 O GLN A 21 15.397 17.242 -8.626 1.00 0.00 O ATOM 321 CB GLN A 21 16.872 18.562 -11.398 1.00 0.00 C ATOM 322 CG GLN A 21 17.258 19.650 -10.402 1.00 0.00 C ATOM 323 CD GLN A 21 16.063 20.378 -9.788 1.00 0.00 C ATOM 324 OE1 GLN A 21 15.486 21.279 -10.386 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.647 20.028 -8.595 1.00 0.00 N ATOM 0 H GLN A 21 16.647 16.537 -12.691 1.00 0.00 H new ATOM 0 HA GLN A 21 17.393 17.001 -10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.677 18.434 -12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.990 18.879 -11.955 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.849 19.204 -9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.896 20.378 -10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.120 19.279 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.850 20.504 -8.173 1.00 0.00 H new ATOM 334 N LEU A 22 14.137 17.224 -10.500 1.00 0.00 N ATOM 335 CA LEU A 22 12.859 17.022 -9.818 1.00 0.00 C ATOM 336 C LEU A 22 12.819 15.648 -9.116 1.00 0.00 C ATOM 337 O LEU A 22 12.475 15.567 -7.937 1.00 0.00 O ATOM 338 CB LEU A 22 11.720 17.193 -10.850 1.00 0.00 C ATOM 339 CG LEU A 22 10.313 17.281 -10.226 1.00 0.00 C ATOM 340 CD1 LEU A 22 10.069 18.645 -9.582 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.228 17.076 -11.283 1.00 0.00 C ATOM 0 H LEU A 22 14.050 17.353 -11.508 1.00 0.00 H new ATOM 0 HA LEU A 22 12.730 17.765 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.904 18.096 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.745 16.354 -11.546 1.00 0.00 H new ATOM 0 HG LEU A 22 10.265 16.496 -9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.067 18.671 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.805 18.813 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.160 19.426 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.246 17.143 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.317 17.845 -12.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.346 16.093 -11.739 1.00 0.00 H new ATOM 353 N LYS A 23 13.164 14.576 -9.845 1.00 0.00 N ATOM 354 CA LYS A 23 12.979 13.175 -9.420 1.00 0.00 C ATOM 355 C LYS A 23 13.880 12.779 -8.252 1.00 0.00 C ATOM 356 O LYS A 23 13.373 12.343 -7.230 1.00 0.00 O ATOM 357 CB LYS A 23 13.175 12.220 -10.613 1.00 0.00 C ATOM 358 CG LYS A 23 12.283 10.989 -10.546 1.00 0.00 C ATOM 359 CD LYS A 23 13.003 9.773 -9.952 1.00 0.00 C ATOM 360 CE LYS A 23 13.678 8.933 -11.034 1.00 0.00 C ATOM 361 NZ LYS A 23 13.735 7.518 -10.600 1.00 0.00 N ATOM 0 H LYS A 23 13.590 14.658 -10.768 1.00 0.00 H new ATOM 0 HA LYS A 23 11.954 13.090 -9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.972 12.758 -11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.218 11.904 -10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.402 11.215 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.931 10.745 -11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.750 10.108 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.288 9.157 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.125 9.015 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.684 9.307 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.298 6.969 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.176 7.461 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.771 7.130 -10.555 1.00 0.00 H new ATOM 375 N GLU A 24 15.192 12.957 -8.410 1.00 0.00 N ATOM 376 CA GLU A 24 16.212 12.913 -7.349 1.00 0.00 C ATOM 377 C GLU A 24 15.716 13.517 -6.034 1.00 0.00 C ATOM 378 O GLU A 24 15.769 12.853 -5.007 1.00 0.00 O ATOM 379 CB GLU A 24 17.486 13.651 -7.825 1.00 0.00 C ATOM 380 CG GLU A 24 18.697 13.539 -6.881 1.00 0.00 C ATOM 381 CD GLU A 24 18.871 14.795 -6.012 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.290 15.857 -6.540 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.565 14.762 -4.797 1.00 0.00 O ATOM 0 H GLU A 24 15.598 13.146 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 24 16.437 11.865 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.770 13.260 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.247 14.706 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.575 12.668 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.601 13.377 -7.469 1.00 0.00 H new ATOM 390 N LYS A 25 15.200 14.753 -6.061 1.00 0.00 N ATOM 391 CA LYS A 25 14.725 15.427 -4.849 1.00 0.00 C ATOM 392 C LYS A 25 13.482 14.779 -4.242 1.00 0.00 C ATOM 393 O LYS A 25 13.389 14.672 -3.029 1.00 0.00 O ATOM 394 CB LYS A 25 14.499 16.922 -5.131 1.00 0.00 C ATOM 395 CG LYS A 25 14.931 17.810 -3.950 1.00 0.00 C ATOM 396 CD LYS A 25 16.405 17.681 -3.525 1.00 0.00 C ATOM 397 CE LYS A 25 17.333 17.678 -4.744 1.00 0.00 C ATOM 398 NZ LYS A 25 18.730 17.361 -4.390 1.00 0.00 N ATOM 0 H LYS A 25 15.101 15.306 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 25 15.506 15.319 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.056 17.210 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.444 17.094 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.736 18.850 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.302 17.573 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.670 18.507 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.544 16.761 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.971 16.950 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.297 18.655 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.332 17.455 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.060 18.019 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.785 16.386 -4.032 1.00 0.00 H new ATOM 412 N LEU A 26 12.551 14.328 -5.079 1.00 0.00 N ATOM 413 CA LEU A 26 11.380 13.549 -4.691 1.00 0.00 C ATOM 414 C LEU A 26 11.783 12.251 -3.975 1.00 0.00 C ATOM 415 O LEU A 26 11.408 12.006 -2.835 1.00 0.00 O ATOM 416 CB LEU A 26 10.544 13.280 -5.959 1.00 0.00 C ATOM 417 CG LEU A 26 9.202 14.009 -5.957 1.00 0.00 C ATOM 418 CD1 LEU A 26 9.351 15.494 -6.278 1.00 0.00 C ATOM 419 CD2 LEU A 26 8.252 13.390 -6.983 1.00 0.00 C ATOM 0 H LEU A 26 12.594 14.502 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 26 10.778 14.108 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.115 13.586 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.368 12.208 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 26 8.797 13.906 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.370 15.969 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.992 15.965 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.797 15.610 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.301 13.923 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.692 13.464 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.084 12.341 -6.737 1.00 0.00 H new ATOM 431 N GLU A 27 12.565 11.417 -4.649 1.00 0.00 N ATOM 432 CA GLU A 27 13.167 10.201 -4.101 1.00 0.00 C ATOM 433 C GLU A 27 14.016 10.426 -2.847 1.00 0.00 C ATOM 434 O GLU A 27 13.971 9.597 -1.947 1.00 0.00 O ATOM 435 CB GLU A 27 14.019 9.526 -5.190 1.00 0.00 C ATOM 436 CG GLU A 27 13.362 8.242 -5.689 1.00 0.00 C ATOM 437 CD GLU A 27 14.223 7.562 -6.762 1.00 0.00 C ATOM 438 OE1 GLU A 27 15.141 6.801 -6.397 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.976 7.790 -7.970 1.00 0.00 O ATOM 0 H GLU A 27 12.808 11.571 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 27 12.341 9.562 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.159 10.214 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.009 9.301 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.210 7.559 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.377 8.469 -6.098 1.00 0.00 H new ATOM 446 N HIS A 28 14.754 11.529 -2.741 1.00 0.00 N ATOM 447 CA HIS A 28 15.420 11.914 -1.493 1.00 0.00 C ATOM 448 C HIS A 28 14.414 12.120 -0.352 1.00 0.00 C ATOM 449 O HIS A 28 14.676 11.721 0.787 1.00 0.00 O ATOM 450 CB HIS A 28 16.246 13.189 -1.717 1.00 0.00 C ATOM 451 CG HIS A 28 16.976 13.714 -0.499 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.156 13.075 0.708 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.495 14.971 -0.368 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.792 13.921 1.535 1.00 0.00 C ATOM 455 NE2 HIS A 28 18.032 15.087 0.918 1.00 0.00 N ATOM 0 H HIS A 28 14.908 12.179 -3.511 1.00 0.00 H new ATOM 0 HA HIS A 28 16.083 11.100 -1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.977 12.994 -2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.582 13.971 -2.087 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.859 12.126 0.934 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.491 15.741 -1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.071 13.694 2.553 1.00 0.00 H new ATOM 463 N GLU A 29 13.283 12.756 -0.652 1.00 0.00 N ATOM 464 CA GLU A 29 12.251 13.123 0.321 1.00 0.00 C ATOM 465 C GLU A 29 11.570 11.900 0.948 1.00 0.00 C ATOM 466 O GLU A 29 11.275 11.863 2.145 1.00 0.00 O ATOM 467 CB GLU A 29 11.163 13.939 -0.390 1.00 0.00 C ATOM 468 CG GLU A 29 10.507 14.951 0.543 1.00 0.00 C ATOM 469 CD GLU A 29 11.343 16.208 0.803 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.714 16.897 -0.163 1.00 0.00 O ATOM 471 OE2 GLU A 29 11.438 16.575 1.999 1.00 0.00 O ATOM 0 H GLU A 29 13.051 13.039 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 29 12.744 13.690 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.599 14.461 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.403 13.264 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.548 15.249 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.297 14.465 1.496 1.00 0.00 H new ATOM 478 N PHE A 30 11.257 10.922 0.094 1.00 0.00 N ATOM 479 CA PHE A 30 10.562 9.678 0.450 1.00 0.00 C ATOM 480 C PHE A 30 11.068 8.476 -0.389 1.00 0.00 C ATOM 481 O PHE A 30 10.354 7.975 -1.267 1.00 0.00 O ATOM 482 CB PHE A 30 9.027 9.901 0.423 1.00 0.00 C ATOM 483 CG PHE A 30 8.524 11.017 -0.485 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.725 10.929 -1.872 1.00 0.00 C ATOM 485 CD2 PHE A 30 7.946 12.185 0.058 1.00 0.00 C ATOM 486 CE1 PHE A 30 8.387 12.002 -2.712 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.609 13.263 -0.785 1.00 0.00 C ATOM 488 CZ PHE A 30 7.849 13.180 -2.166 1.00 0.00 C ATOM 0 H PHE A 30 11.487 10.974 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 30 10.805 9.402 1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.551 8.970 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.693 10.110 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.143 10.028 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.762 12.252 1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.540 11.922 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.165 14.155 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.621 14.019 -2.807 1.00 0.00 H new ATOM 498 N PRO A 31 12.290 7.965 -0.123 1.00 0.00 N ATOM 499 CA PRO A 31 12.917 6.915 -0.932 1.00 0.00 C ATOM 500 C PRO A 31 12.211 5.572 -0.776 1.00 0.00 C ATOM 501 O PRO A 31 11.856 5.183 0.338 1.00 0.00 O ATOM 502 CB PRO A 31 14.373 6.822 -0.465 1.00 0.00 C ATOM 503 CG PRO A 31 14.346 7.408 0.946 1.00 0.00 C ATOM 504 CD PRO A 31 13.217 8.434 0.899 1.00 0.00 C ATOM 0 HA PRO A 31 12.851 7.164 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.726 5.791 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.039 7.385 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.155 6.639 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.298 7.873 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.722 8.514 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.600 9.425 0.653 1.00 0.00 H new ATOM 512 N GLY A 32 12.011 4.854 -1.889 1.00 0.00 N ATOM 513 CA GLY A 32 11.417 3.504 -1.999 1.00 0.00 C ATOM 514 C GLY A 32 9.972 3.329 -1.523 1.00 0.00 C ATOM 515 O GLY A 32 9.279 2.383 -1.895 1.00 0.00 O ATOM 0 H GLY A 32 12.276 5.222 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.467 3.198 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.044 2.813 -1.435 1.00 0.00 H new ATOM 519 N CYS A 33 9.470 4.274 -0.737 1.00 0.00 N ATOM 520 CA CYS A 33 8.056 4.492 -0.547 1.00 0.00 C ATOM 521 C CYS A 33 7.411 5.003 -1.847 1.00 0.00 C ATOM 522 O CYS A 33 6.221 4.784 -2.062 1.00 0.00 O ATOM 523 CB CYS A 33 7.834 5.433 0.641 1.00 0.00 C ATOM 524 SG CYS A 33 8.884 5.020 2.071 1.00 0.00 S ATOM 0 H CYS A 33 10.054 4.920 -0.206 1.00 0.00 H new ATOM 0 HA CYS A 33 7.563 3.549 -0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.037 6.458 0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.787 5.392 0.941 1.00 0.00 H new ATOM 0 HG CYS A 33 10.135 5.148 1.742 1.00 0.00 H new ATOM 530 N LEU A 34 8.198 5.631 -2.720 1.00 0.00 N ATOM 531 CA LEU A 34 7.814 6.035 -4.060 1.00 0.00 C ATOM 532 C LEU A 34 8.599 5.262 -5.112 1.00 0.00 C ATOM 533 O LEU A 34 9.804 5.051 -4.995 1.00 0.00 O ATOM 534 CB LEU A 34 8.150 7.515 -4.276 1.00 0.00 C ATOM 535 CG LEU A 34 7.076 8.562 -3.986 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.139 8.722 -5.177 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.279 8.303 -2.713 1.00 0.00 C ATOM 0 H LEU A 34 9.162 5.880 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 34 6.746 5.843 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.016 7.751 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.457 7.636 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 34 7.616 9.494 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.383 9.473 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.710 9.038 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.652 7.770 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.538 9.092 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.774 7.340 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.954 8.292 -1.857 1.00 0.00 H new ATOM 549 N ASP A 35 7.900 5.068 -6.214 1.00 0.00 N ATOM 550 CA ASP A 35 8.386 5.069 -7.585 1.00 0.00 C ATOM 551 C ASP A 35 8.055 6.413 -8.242 1.00 0.00 C ATOM 552 O ASP A 35 6.957 6.953 -8.094 1.00 0.00 O ATOM 553 CB ASP A 35 7.655 3.949 -8.319 1.00 0.00 C ATOM 554 CG ASP A 35 7.462 4.123 -9.834 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.431 4.344 -10.590 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.288 4.103 -10.279 1.00 0.00 O ATOM 0 H ASP A 35 6.896 4.891 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 35 9.465 4.920 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.200 3.020 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.672 3.829 -7.863 1.00 0.00 H new ATOM 561 N ILE A 36 8.988 6.881 -9.056 1.00 0.00 N ATOM 562 CA ILE A 36 8.802 7.843 -10.130 1.00 0.00 C ATOM 563 C ILE A 36 9.651 7.386 -11.333 1.00 0.00 C ATOM 564 O ILE A 36 10.877 7.229 -11.253 1.00 0.00 O ATOM 565 CB ILE A 36 9.249 9.262 -9.748 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.018 9.776 -8.309 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.759 10.296 -10.782 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.350 9.820 -7.537 1.00 0.00 C ATOM 0 H ILE A 36 9.959 6.579 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 36 7.737 7.881 -10.358 1.00 0.00 H new ATOM 0 HB ILE A 36 10.333 9.149 -9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.574 10.771 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.312 9.126 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.090 11.291 -10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.170 10.053 -11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.670 10.275 -10.830 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.172 10.184 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.778 8.819 -7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.044 10.489 -8.046 1.00 0.00 H new ATOM 580 N CYS A 37 8.990 7.288 -12.473 1.00 0.00 N ATOM 581 CA CYS A 37 9.554 7.088 -13.808 1.00 0.00 C ATOM 582 C CYS A 37 9.213 8.265 -14.743 1.00 0.00 C ATOM 583 O CYS A 37 8.531 9.210 -14.344 1.00 0.00 O ATOM 584 CB CYS A 37 9.079 5.735 -14.337 1.00 0.00 C ATOM 585 SG CYS A 37 9.887 4.371 -13.453 1.00 0.00 S ATOM 0 H CYS A 37 7.972 7.350 -12.498 1.00 0.00 H new ATOM 0 HA CYS A 37 10.643 7.070 -13.760 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.998 5.656 -14.225 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.295 5.661 -15.403 1.00 0.00 H new ATOM 0 HG CYS A 37 9.361 4.248 -12.270 1.00 0.00 H new ATOM 591 N GLY A 38 9.751 8.266 -15.959 1.00 0.00 N ATOM 592 CA GLY A 38 9.533 9.319 -16.957 1.00 0.00 C ATOM 593 C GLY A 38 9.719 8.792 -18.377 1.00 0.00 C ATOM 594 O GLY A 38 10.522 7.887 -18.604 1.00 0.00 O ATOM 0 H GLY A 38 10.364 7.521 -16.289 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.527 9.723 -16.847 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.228 10.140 -16.779 1.00 0.00 H new ATOM 598 N GLU A 39 8.951 9.331 -19.315 1.00 0.00 N ATOM 599 CA GLU A 39 8.541 8.656 -20.541 1.00 0.00 C ATOM 600 C GLU A 39 8.451 9.664 -21.680 1.00 0.00 C ATOM 601 O GLU A 39 7.493 10.413 -21.837 1.00 0.00 O ATOM 602 CB GLU A 39 7.228 7.931 -20.269 1.00 0.00 C ATOM 603 CG GLU A 39 6.695 7.127 -21.459 1.00 0.00 C ATOM 604 CD GLU A 39 5.488 6.259 -21.062 1.00 0.00 C ATOM 605 OE1 GLU A 39 5.099 6.285 -19.869 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.979 5.551 -21.958 1.00 0.00 O ATOM 0 H GLU A 39 8.584 10.280 -19.242 1.00 0.00 H new ATOM 0 HA GLU A 39 9.274 7.912 -20.852 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.366 7.258 -19.423 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.476 8.663 -19.974 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.406 7.809 -22.259 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.487 6.491 -21.853 1.00 0.00 H new ATOM 613 N GLY A 40 9.530 9.736 -22.443 1.00 0.00 N ATOM 614 CA GLY A 40 9.686 10.678 -23.551 1.00 0.00 C ATOM 615 C GLY A 40 9.372 10.036 -24.901 1.00 0.00 C ATOM 616 O GLY A 40 10.257 9.423 -25.497 1.00 0.00 O ATOM 0 H GLY A 40 10.341 9.131 -22.311 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.028 11.533 -23.395 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.707 11.060 -23.560 1.00 0.00 H new ATOM 620 N THR A 41 8.135 10.194 -25.386 1.00 0.00 N ATOM 621 CA THR A 41 7.641 9.570 -26.630 1.00 0.00 C ATOM 622 C THR A 41 7.231 10.621 -27.680 1.00 0.00 C ATOM 623 O THR A 41 6.569 11.605 -27.341 1.00 0.00 O ATOM 624 CB THR A 41 6.524 8.555 -26.332 1.00 0.00 C ATOM 625 OG1 THR A 41 6.195 7.841 -27.503 1.00 0.00 O ATOM 626 CG2 THR A 41 5.232 9.156 -25.777 1.00 0.00 C ATOM 0 H THR A 41 7.433 10.769 -24.920 1.00 0.00 H new ATOM 0 HA THR A 41 8.465 9.013 -27.075 1.00 0.00 H new ATOM 0 HB THR A 41 6.938 7.912 -25.555 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.485 7.196 -27.304 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.508 8.361 -25.600 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.443 9.670 -24.839 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.823 9.866 -26.496 1.00 0.00 H new ATOM 634 N PRO A 42 7.660 10.493 -28.954 1.00 0.00 N ATOM 635 CA PRO A 42 7.442 11.517 -29.978 1.00 0.00 C ATOM 636 C PRO A 42 5.988 11.534 -30.477 1.00 0.00 C ATOM 637 O PRO A 42 5.373 10.487 -30.665 1.00 0.00 O ATOM 638 CB PRO A 42 8.417 11.159 -31.106 1.00 0.00 C ATOM 639 CG PRO A 42 8.532 9.639 -31.008 1.00 0.00 C ATOM 640 CD PRO A 42 8.420 9.377 -29.506 1.00 0.00 C ATOM 0 HA PRO A 42 7.617 12.519 -29.586 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.037 11.471 -32.079 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.384 11.644 -30.970 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.740 9.138 -31.564 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.479 9.280 -31.410 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.917 8.430 -29.313 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.407 9.313 -29.047 1.00 0.00 H new ATOM 648 N GLN A 43 5.447 12.727 -30.744 1.00 0.00 N ATOM 649 CA GLN A 43 4.070 12.920 -31.230 1.00 0.00 C ATOM 650 C GLN A 43 4.028 13.962 -32.363 1.00 0.00 C ATOM 651 O GLN A 43 3.892 13.606 -33.527 1.00 0.00 O ATOM 652 CB GLN A 43 3.142 13.294 -30.052 1.00 0.00 C ATOM 653 CG GLN A 43 2.975 12.198 -28.982 1.00 0.00 C ATOM 654 CD GLN A 43 2.117 11.029 -29.457 1.00 0.00 C ATOM 655 OE1 GLN A 43 0.905 11.038 -29.336 1.00 0.00 O ATOM 656 NE2 GLN A 43 2.683 9.992 -30.029 1.00 0.00 N ATOM 0 H GLN A 43 5.959 13.602 -30.628 1.00 0.00 H new ATOM 0 HA GLN A 43 3.705 11.984 -31.653 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.532 14.192 -29.573 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.159 13.546 -30.449 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.958 11.827 -28.693 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.525 12.634 -28.090 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.696 9.962 -30.142 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.110 9.217 -30.361 1.00 0.00 H new ATOM 665 N VAL A 44 4.189 15.247 -32.025 1.00 0.00 N ATOM 666 CA VAL A 44 4.355 16.367 -32.980 1.00 0.00 C ATOM 667 C VAL A 44 5.118 17.542 -32.352 1.00 0.00 C ATOM 668 O VAL A 44 5.950 18.166 -32.998 1.00 0.00 O ATOM 669 CB VAL A 44 2.995 16.804 -33.571 1.00 0.00 C ATOM 670 CG1 VAL A 44 2.010 17.346 -32.526 1.00 0.00 C ATOM 671 CG2 VAL A 44 3.160 17.848 -34.681 1.00 0.00 C ATOM 0 H VAL A 44 4.209 15.553 -31.052 1.00 0.00 H new ATOM 0 HA VAL A 44 4.965 16.007 -33.808 1.00 0.00 H new ATOM 0 HB VAL A 44 2.574 15.888 -33.984 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.080 17.632 -33.017 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.806 16.575 -31.783 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.443 18.217 -32.035 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.180 18.126 -35.067 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.656 18.732 -34.279 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.762 17.430 -35.487 1.00 0.00 H new ATOM 681 N THR A 45 4.907 17.784 -31.053 1.00 0.00 N ATOM 682 CA THR A 45 5.738 18.658 -30.206 1.00 0.00 C ATOM 683 C THR A 45 5.928 18.023 -28.822 1.00 0.00 C ATOM 684 O THR A 45 6.975 17.427 -28.564 1.00 0.00 O ATOM 685 CB THR A 45 5.218 20.110 -30.208 1.00 0.00 C ATOM 686 OG1 THR A 45 6.021 20.902 -29.376 1.00 0.00 O ATOM 687 CG2 THR A 45 3.768 20.330 -29.764 1.00 0.00 C ATOM 0 H THR A 45 4.129 17.365 -30.543 1.00 0.00 H new ATOM 0 HA THR A 45 6.740 18.742 -30.626 1.00 0.00 H new ATOM 0 HB THR A 45 5.261 20.387 -31.261 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.688 21.824 -29.381 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.530 21.393 -29.812 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.098 19.778 -30.423 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.643 19.976 -28.741 1.00 0.00 H new ATOM 695 N GLY A 46 4.889 17.993 -27.980 1.00 0.00 N ATOM 696 CA GLY A 46 4.856 17.274 -26.701 1.00 0.00 C ATOM 697 C GLY A 46 3.970 17.940 -25.641 1.00 0.00 C ATOM 698 O GLY A 46 3.439 19.030 -25.838 1.00 0.00 O ATOM 0 H GLY A 46 4.018 18.486 -28.177 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.499 16.259 -26.874 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.872 17.193 -26.314 1.00 0.00 H new ATOM 702 N PHE A 47 3.831 17.276 -24.496 1.00 0.00 N ATOM 703 CA PHE A 47 3.151 17.748 -23.283 1.00 0.00 C ATOM 704 C PHE A 47 3.842 17.102 -22.077 1.00 0.00 C ATOM 705 O PHE A 47 4.043 15.892 -22.058 1.00 0.00 O ATOM 706 CB PHE A 47 1.648 17.430 -23.339 1.00 0.00 C ATOM 707 CG PHE A 47 1.258 16.079 -23.915 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.202 14.935 -23.094 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.925 15.973 -25.280 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.823 13.696 -23.638 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.547 14.732 -25.822 1.00 0.00 C ATOM 712 CZ PHE A 47 0.498 13.593 -25.001 1.00 0.00 C ATOM 0 H PHE A 47 4.212 16.337 -24.379 1.00 0.00 H new ATOM 0 HA PHE A 47 3.224 18.832 -23.197 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.248 17.497 -22.327 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.158 18.205 -23.928 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.451 15.011 -22.046 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.960 16.848 -25.912 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.781 12.821 -23.007 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.294 14.654 -26.869 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.211 12.639 -25.417 1.00 0.00 H new ATOM 722 N PHE A 48 4.276 17.927 -21.123 1.00 0.00 N ATOM 723 CA PHE A 48 4.917 17.513 -19.875 1.00 0.00 C ATOM 724 C PHE A 48 3.820 17.261 -18.840 1.00 0.00 C ATOM 725 O PHE A 48 3.251 18.241 -18.349 1.00 0.00 O ATOM 726 CB PHE A 48 5.893 18.614 -19.407 1.00 0.00 C ATOM 727 CG PHE A 48 6.936 18.159 -18.395 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.560 17.847 -17.075 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.300 18.121 -18.746 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.530 17.500 -16.117 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.270 17.770 -17.792 1.00 0.00 C ATOM 732 CZ PHE A 48 8.888 17.464 -16.475 1.00 0.00 C ATOM 0 H PHE A 48 4.187 18.940 -21.202 1.00 0.00 H new ATOM 0 HA PHE A 48 5.493 16.598 -20.015 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.407 19.018 -20.279 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.316 19.429 -18.970 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.517 17.874 -16.795 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.602 18.363 -19.754 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.231 17.261 -15.107 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.313 17.735 -18.072 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.635 17.202 -15.741 1.00 0.00 H new ATOM 742 N GLU A 49 3.453 16.012 -18.541 1.00 0.00 N ATOM 743 CA GLU A 49 2.387 15.741 -17.577 1.00 0.00 C ATOM 744 C GLU A 49 2.776 14.715 -16.498 1.00 0.00 C ATOM 745 O GLU A 49 3.432 13.717 -16.801 1.00 0.00 O ATOM 746 CB GLU A 49 1.157 15.284 -18.353 1.00 0.00 C ATOM 747 CG GLU A 49 0.646 16.355 -19.319 1.00 0.00 C ATOM 748 CD GLU A 49 -0.812 16.153 -19.725 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.168 15.134 -20.345 1.00 0.00 O ATOM 750 OE2 GLU A 49 -1.606 17.112 -19.565 1.00 0.00 O ATOM 0 H GLU A 49 3.876 15.179 -18.950 1.00 0.00 H new ATOM 0 HA GLU A 49 2.181 16.660 -17.028 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.398 14.380 -18.912 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.364 15.023 -17.652 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.755 17.335 -18.855 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.269 16.355 -20.214 1.00 0.00 H new ATOM 757 N VAL A 50 2.370 14.958 -15.237 1.00 0.00 N ATOM 758 CA VAL A 50 2.778 14.130 -14.084 1.00 0.00 C ATOM 759 C VAL A 50 1.566 13.561 -13.364 1.00 0.00 C ATOM 760 O VAL A 50 0.679 14.295 -12.905 1.00 0.00 O ATOM 761 CB VAL A 50 3.642 14.894 -13.068 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.213 13.978 -11.979 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.819 15.607 -13.739 1.00 0.00 C ATOM 0 H VAL A 50 1.752 15.731 -14.989 1.00 0.00 H new ATOM 0 HA VAL A 50 3.381 13.324 -14.502 1.00 0.00 H new ATOM 0 HB VAL A 50 2.970 15.624 -12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.815 14.567 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.395 13.505 -11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.835 13.210 -12.439 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.403 16.134 -12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.451 14.874 -14.240 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.442 16.322 -14.471 1.00 0.00 H new ATOM 773 N THR A 51 1.561 12.238 -13.244 1.00 0.00 N ATOM 774 CA THR A 51 0.510 11.413 -12.692 1.00 0.00 C ATOM 775 C THR A 51 1.010 10.570 -11.517 1.00 0.00 C ATOM 776 O THR A 51 2.021 9.883 -11.634 1.00 0.00 O ATOM 777 CB THR A 51 0.052 10.447 -13.785 1.00 0.00 C ATOM 778 OG1 THR A 51 1.137 9.913 -14.517 1.00 0.00 O ATOM 779 CG2 THR A 51 -0.878 11.109 -14.794 1.00 0.00 C ATOM 0 H THR A 51 2.355 11.679 -13.556 1.00 0.00 H new ATOM 0 HA THR A 51 -0.292 12.064 -12.343 1.00 0.00 H new ATOM 0 HB THR A 51 -0.473 9.655 -13.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.883 9.730 -13.909 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.174 10.380 -15.549 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.765 11.481 -14.282 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.361 11.940 -15.275 1.00 0.00 H new ATOM 787 N VAL A 52 0.278 10.541 -10.403 1.00 0.00 N ATOM 788 CA VAL A 52 0.564 9.738 -9.205 1.00 0.00 C ATOM 789 C VAL A 52 -0.609 8.803 -8.953 1.00 0.00 C ATOM 790 O VAL A 52 -1.752 9.247 -8.919 1.00 0.00 O ATOM 791 CB VAL A 52 0.901 10.637 -8.000 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.122 11.742 -7.706 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.093 9.809 -6.726 1.00 0.00 C ATOM 0 H VAL A 52 -0.569 11.100 -10.303 1.00 0.00 H new ATOM 0 HA VAL A 52 1.452 9.126 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 52 1.828 11.129 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.205 12.319 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.206 12.400 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.093 11.293 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.330 10.472 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.176 9.263 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.910 9.102 -6.871 1.00 0.00 H new ATOM 803 N ALA A 53 -0.350 7.496 -8.906 1.00 0.00 N ATOM 804 CA ALA A 53 -1.359 6.423 -8.939 1.00 0.00 C ATOM 805 C ALA A 53 -2.474 6.564 -10.018 1.00 0.00 C ATOM 806 O ALA A 53 -3.524 5.938 -9.924 1.00 0.00 O ATOM 807 CB ALA A 53 -1.905 6.234 -7.515 1.00 0.00 C ATOM 0 H ALA A 53 0.602 7.136 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.856 5.516 -9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.655 5.443 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.089 5.961 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.359 7.164 -7.173 1.00 0.00 H new ATOM 813 N GLY A 54 -2.264 7.400 -11.044 1.00 0.00 N ATOM 814 CA GLY A 54 -3.227 7.753 -12.098 1.00 0.00 C ATOM 815 C GLY A 54 -3.846 9.157 -11.980 1.00 0.00 C ATOM 816 O GLY A 54 -4.417 9.665 -12.941 1.00 0.00 O ATOM 0 H GLY A 54 -1.370 7.874 -11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.728 7.674 -13.064 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.032 7.018 -12.093 1.00 0.00 H new ATOM 820 N LYS A 55 -3.691 9.845 -10.843 1.00 0.00 N ATOM 821 CA LYS A 55 -4.064 11.255 -10.664 1.00 0.00 C ATOM 822 C LYS A 55 -3.045 12.160 -11.330 1.00 0.00 C ATOM 823 O LYS A 55 -1.955 12.344 -10.794 1.00 0.00 O ATOM 824 CB LYS A 55 -4.189 11.617 -9.177 1.00 0.00 C ATOM 825 CG LYS A 55 -5.542 11.223 -8.578 1.00 0.00 C ATOM 826 CD LYS A 55 -6.540 12.390 -8.435 1.00 0.00 C ATOM 827 CE LYS A 55 -6.884 13.135 -9.738 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.133 14.413 -9.904 1.00 0.00 N ATOM 0 H LYS A 55 -3.293 9.428 -10.001 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.037 11.402 -11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.393 11.122 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.043 12.690 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.991 10.451 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.376 10.781 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.464 12.004 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.132 13.108 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.672 12.485 -10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.953 13.345 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.739 15.113 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.852 14.774 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.284 14.244 -10.480 1.00 0.00 H new ATOM 842 N LEU A 56 -3.409 12.786 -12.446 1.00 0.00 N ATOM 843 CA LEU A 56 -2.732 14.006 -12.875 1.00 0.00 C ATOM 844 C LEU A 56 -2.741 15.023 -11.727 1.00 0.00 C ATOM 845 O LEU A 56 -3.784 15.275 -11.109 1.00 0.00 O ATOM 846 CB LEU A 56 -3.349 14.495 -14.194 1.00 0.00 C ATOM 847 CG LEU A 56 -2.848 15.842 -14.751 1.00 0.00 C ATOM 848 CD1 LEU A 56 -3.125 15.899 -16.255 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.550 17.053 -14.129 1.00 0.00 C ATOM 0 H LEU A 56 -4.159 12.474 -13.063 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.679 13.830 -13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.175 13.731 -14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.428 14.567 -14.056 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.785 15.893 -14.514 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.772 16.850 -16.654 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.604 15.081 -16.752 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.197 15.806 -16.431 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.151 17.969 -14.565 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.620 16.994 -14.326 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.379 17.059 -13.052 1.00 0.00 H new ATOM 861 N VAL A 57 -1.559 15.569 -11.451 1.00 0.00 N ATOM 862 CA VAL A 57 -1.346 16.713 -10.535 1.00 0.00 C ATOM 863 C VAL A 57 -0.604 17.849 -11.240 1.00 0.00 C ATOM 864 O VAL A 57 -0.719 19.009 -10.838 1.00 0.00 O ATOM 865 CB VAL A 57 -0.613 16.287 -9.243 1.00 0.00 C ATOM 866 CG1 VAL A 57 -0.321 17.457 -8.287 1.00 0.00 C ATOM 867 CG2 VAL A 57 -1.459 15.284 -8.449 1.00 0.00 C ATOM 0 H VAL A 57 -0.692 15.226 -11.864 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.329 17.081 -10.242 1.00 0.00 H new ATOM 0 HB VAL A 57 0.329 15.857 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.195 17.084 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.308 18.191 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.259 17.926 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.926 14.996 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.410 15.743 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.642 14.399 -9.059 1.00 0.00 H new ATOM 877 N HIS A 58 0.105 17.537 -12.326 1.00 0.00 N ATOM 878 CA HIS A 58 0.766 18.514 -13.171 1.00 0.00 C ATOM 879 C HIS A 58 0.447 18.311 -14.647 1.00 0.00 C ATOM 880 O HIS A 58 0.325 17.192 -15.135 1.00 0.00 O ATOM 881 CB HIS A 58 2.269 18.379 -12.984 1.00 0.00 C ATOM 882 CG HIS A 58 3.039 19.418 -13.746 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.862 20.778 -13.650 1.00 0.00 N ATOM 884 CD2 HIS A 58 3.679 19.162 -14.932 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.331 21.304 -14.793 1.00 0.00 C ATOM 886 NE2 HIS A 58 3.872 20.376 -15.583 1.00 0.00 N ATOM 0 H HIS A 58 0.234 16.576 -12.643 1.00 0.00 H new ATOM 0 HA HIS A 58 0.409 19.502 -12.880 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.509 18.459 -11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.585 17.387 -13.308 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.455 21.287 -12.865 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.980 18.191 -15.296 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.277 22.353 -15.043 1.00 0.00 H new ATOM 894 N SER A 59 0.448 19.423 -15.367 1.00 0.00 N ATOM 895 CA SER A 59 0.533 19.516 -16.813 1.00 0.00 C ATOM 896 C SER A 59 1.053 20.885 -17.238 1.00 0.00 C ATOM 897 O SER A 59 0.516 21.912 -16.801 1.00 0.00 O ATOM 898 CB SER A 59 -0.871 19.433 -17.369 1.00 0.00 C ATOM 899 OG SER A 59 -0.865 19.379 -18.775 1.00 0.00 O ATOM 0 H SER A 59 0.385 20.341 -14.927 1.00 0.00 H new ATOM 0 HA SER A 59 1.191 18.723 -17.169 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.369 18.549 -16.972 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.446 20.298 -17.039 1.00 0.00 H new ATOM 0 HG SER A 59 -1.199 18.506 -19.070 1.00 0.00 H new ATOM 905 N LYS A 60 1.991 20.949 -18.183 1.00 0.00 N ATOM 906 CA LYS A 60 2.156 22.174 -18.970 1.00 0.00 C ATOM 907 C LYS A 60 0.942 22.478 -19.851 1.00 0.00 C ATOM 908 O LYS A 60 0.513 23.626 -19.838 1.00 0.00 O ATOM 909 CB LYS A 60 3.456 22.104 -19.778 1.00 0.00 C ATOM 910 CG LYS A 60 4.643 22.619 -18.954 1.00 0.00 C ATOM 911 CD LYS A 60 4.801 24.153 -18.930 1.00 0.00 C ATOM 912 CE LYS A 60 5.824 24.458 -17.830 1.00 0.00 C ATOM 913 NZ LYS A 60 6.179 25.896 -17.613 1.00 0.00 N ATOM 0 H LYS A 60 2.632 20.192 -18.419 1.00 0.00 H new ATOM 0 HA LYS A 60 2.226 23.012 -18.276 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.642 21.075 -20.087 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.356 22.696 -20.687 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.536 22.263 -17.929 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.559 22.180 -19.350 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.144 24.525 -19.895 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.848 24.640 -18.722 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.441 24.058 -16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.740 23.914 -18.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.713 25.992 -16.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.762 26.233 -18.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.309 26.464 -17.557 1.00 0.00 H new ATOM 927 N LYS A 61 0.350 21.506 -20.564 1.00 0.00 N ATOM 928 CA LYS A 61 -0.806 21.785 -21.453 1.00 0.00 C ATOM 929 C LYS A 61 -2.108 22.200 -20.741 1.00 0.00 C ATOM 930 O LYS A 61 -2.899 22.920 -21.338 1.00 0.00 O ATOM 931 CB LYS A 61 -1.032 20.689 -22.515 1.00 0.00 C ATOM 932 CG LYS A 61 -1.450 19.293 -22.020 1.00 0.00 C ATOM 933 CD LYS A 61 -1.924 18.435 -23.212 1.00 0.00 C ATOM 934 CE LYS A 61 -1.919 16.923 -22.939 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.865 16.505 -21.881 1.00 0.00 N ATOM 0 H LYS A 61 0.643 20.529 -20.548 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.501 22.686 -21.986 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.797 21.043 -23.206 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.111 20.581 -23.087 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.611 18.808 -21.522 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.249 19.382 -21.284 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.934 18.740 -23.487 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.284 18.640 -24.070 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.163 16.396 -23.861 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.912 16.618 -22.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.520 15.633 -21.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.940 17.256 -21.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.801 16.332 -22.301 1.00 0.00 H new ATOM 949 N ARG A 62 -2.321 21.836 -19.467 1.00 0.00 N ATOM 950 CA ARG A 62 -3.435 22.356 -18.642 1.00 0.00 C ATOM 951 C ARG A 62 -3.170 23.739 -18.038 1.00 0.00 C ATOM 952 O ARG A 62 -4.059 24.350 -17.448 1.00 0.00 O ATOM 953 CB ARG A 62 -3.822 21.307 -17.584 1.00 0.00 C ATOM 954 CG ARG A 62 -3.276 21.488 -16.154 1.00 0.00 C ATOM 955 CD ARG A 62 -4.232 22.222 -15.214 1.00 0.00 C ATOM 956 NE ARG A 62 -3.472 22.962 -14.192 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.560 24.229 -13.844 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.191 25.106 -14.570 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.959 24.636 -12.761 1.00 0.00 N ATOM 0 H ARG A 62 -1.726 21.170 -18.973 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.286 22.520 -19.304 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.910 21.277 -17.525 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.496 20.332 -17.945 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.051 20.507 -15.735 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.336 22.037 -16.201 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.856 22.911 -15.783 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.901 21.508 -14.734 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.779 22.415 -13.681 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.638 24.820 -15.441 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.238 26.079 -14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.428 23.975 -12.194 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.020 25.615 -12.481 1.00 0.00 H new ATOM 973 N GLY A 63 -1.921 24.188 -18.109 1.00 0.00 N ATOM 974 CA GLY A 63 -1.480 25.459 -17.541 1.00 0.00 C ATOM 975 C GLY A 63 -1.179 25.393 -16.052 1.00 0.00 C ATOM 976 O GLY A 63 -1.451 26.336 -15.317 1.00 0.00 O ATOM 0 H GLY A 63 -1.173 23.670 -18.571 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.586 25.792 -18.069 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.250 26.211 -17.714 1.00 0.00 H new ATOM 980 N ASP A 64 -0.612 24.273 -15.596 1.00 0.00 N ATOM 981 CA ASP A 64 -0.056 24.194 -14.238 1.00 0.00 C ATOM 982 C ASP A 64 1.328 24.849 -14.128 1.00 0.00 C ATOM 983 O ASP A 64 1.656 25.468 -13.113 1.00 0.00 O ATOM 984 CB ASP A 64 -0.032 22.725 -13.806 1.00 0.00 C ATOM 985 CG ASP A 64 0.006 22.562 -12.290 1.00 0.00 C ATOM 986 OD1 ASP A 64 -1.050 22.810 -11.657 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.047 22.100 -11.768 1.00 0.00 O ATOM 0 H ASP A 64 -0.525 23.414 -16.140 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.695 24.762 -13.562 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.913 22.219 -14.200 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.839 22.235 -14.243 1.00 0.00 H new ATOM 992 N GLY A 65 2.125 24.762 -15.200 1.00 0.00 N ATOM 993 CA GLY A 65 3.524 25.171 -15.219 1.00 0.00 C ATOM 994 C GLY A 65 4.412 24.281 -14.334 1.00 0.00 C ATOM 995 O GLY A 65 3.940 23.700 -13.362 1.00 0.00 O ATOM 0 H GLY A 65 1.802 24.396 -16.096 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.893 25.142 -16.244 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.601 26.205 -14.882 1.00 0.00 H new ATOM 999 N TYR A 66 5.693 24.151 -14.666 1.00 0.00 N ATOM 1000 CA TYR A 66 6.661 23.292 -13.988 1.00 0.00 C ATOM 1001 C TYR A 66 6.857 23.708 -12.523 1.00 0.00 C ATOM 1002 O TYR A 66 6.204 24.617 -11.996 1.00 0.00 O ATOM 1003 CB TYR A 66 8.031 23.391 -14.695 1.00 0.00 C ATOM 1004 CG TYR A 66 8.139 23.093 -16.170 1.00 0.00 C ATOM 1005 CD1 TYR A 66 7.568 21.919 -16.692 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.916 23.933 -16.998 1.00 0.00 C ATOM 1007 CE1 TYR A 66 7.753 21.609 -18.049 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.089 23.624 -18.363 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.493 22.460 -18.893 1.00 0.00 C ATOM 1010 OH TYR A 66 8.588 22.166 -20.213 1.00 0.00 O ATOM 0 H TYR A 66 6.103 24.662 -15.448 1.00 0.00 H new ATOM 0 HA TYR A 66 6.273 22.274 -14.024 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.404 24.403 -14.540 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.713 22.717 -14.177 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.993 21.262 -16.056 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.380 24.816 -16.584 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.321 20.705 -18.452 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.673 24.273 -18.998 1.00 0.00 H new ATOM 0 HH TYR A 66 9.130 22.848 -20.662 1.00 0.00 H new ATOM 1020 N VAL A 67 7.898 23.157 -11.901 1.00 0.00 N ATOM 1021 CA VAL A 67 8.690 23.911 -10.924 1.00 0.00 C ATOM 1022 C VAL A 67 9.414 25.121 -11.529 1.00 0.00 C ATOM 1023 O VAL A 67 10.626 25.297 -11.497 1.00 0.00 O ATOM 1024 CB VAL A 67 9.590 23.034 -10.081 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.729 21.923 -9.469 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.778 22.346 -10.774 1.00 0.00 C ATOM 0 H VAL A 67 8.213 22.199 -12.053 1.00 0.00 H new ATOM 0 HA VAL A 67 7.963 24.332 -10.229 1.00 0.00 H new ATOM 0 HB VAL A 67 10.039 23.727 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.354 21.275 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.949 22.366 -8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.271 21.337 -10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.330 21.753 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.410 21.695 -11.567 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.437 23.102 -11.201 1.00 0.00 H new ATOM 1036 N ASP A 68 8.568 25.999 -12.031 1.00 0.00 N ATOM 1037 CA ASP A 68 8.785 27.374 -12.419 1.00 0.00 C ATOM 1038 C ASP A 68 9.086 28.231 -11.167 1.00 0.00 C ATOM 1039 O ASP A 68 9.602 29.339 -11.271 1.00 0.00 O ATOM 1040 CB ASP A 68 7.495 27.889 -13.057 1.00 0.00 C ATOM 1041 CG ASP A 68 6.891 27.196 -14.307 1.00 0.00 C ATOM 1042 OD1 ASP A 68 7.556 26.625 -15.204 1.00 0.00 O ATOM 1043 OD2 ASP A 68 5.642 27.171 -14.365 1.00 0.00 O ATOM 0 H ASP A 68 7.598 25.730 -12.195 1.00 0.00 H new ATOM 0 HA ASP A 68 9.624 27.438 -13.112 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.728 27.876 -12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.664 28.933 -13.321 1.00 0.00 H new ATOM 1048 N THR A 69 8.728 27.746 -9.968 1.00 0.00 N ATOM 1049 CA THR A 69 9.031 28.404 -8.696 1.00 0.00 C ATOM 1050 C THR A 69 9.250 27.380 -7.591 1.00 0.00 C ATOM 1051 O THR A 69 8.730 26.263 -7.615 1.00 0.00 O ATOM 1052 CB THR A 69 7.916 29.369 -8.243 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.027 29.720 -9.276 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.475 30.678 -7.686 1.00 0.00 C ATOM 0 H THR A 69 8.213 26.873 -9.858 1.00 0.00 H new ATOM 0 HA THR A 69 9.941 28.979 -8.870 1.00 0.00 H new ATOM 0 HB THR A 69 7.385 28.811 -7.472 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.344 30.330 -8.927 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.652 31.324 -7.381 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.109 30.466 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.063 31.179 -8.455 1.00 0.00 H new ATOM 1062 N GLU A 70 9.915 27.861 -6.550 1.00 0.00 N ATOM 1063 CA GLU A 70 10.175 27.240 -5.249 1.00 0.00 C ATOM 1064 C GLU A 70 8.891 26.704 -4.615 1.00 0.00 C ATOM 1065 O GLU A 70 8.695 25.517 -4.353 1.00 0.00 O ATOM 1066 CB GLU A 70 10.796 28.380 -4.417 1.00 0.00 C ATOM 1067 CG GLU A 70 11.682 27.957 -3.246 1.00 0.00 C ATOM 1068 CD GLU A 70 10.828 27.619 -2.030 1.00 0.00 C ATOM 1069 OE1 GLU A 70 10.016 28.469 -1.604 1.00 0.00 O ATOM 1070 OE2 GLU A 70 10.875 26.468 -1.562 1.00 0.00 O ATOM 0 H GLU A 70 10.330 28.791 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 70 10.831 26.372 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.387 29.008 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.988 29.000 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.282 27.092 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.377 28.760 -2.999 1.00 0.00 H new ATOM 1077 N SER A 71 7.934 27.612 -4.518 1.00 0.00 N ATOM 1078 CA SER A 71 6.609 27.294 -3.994 1.00 0.00 C ATOM 1079 C SER A 71 5.838 26.313 -4.882 1.00 0.00 C ATOM 1080 O SER A 71 5.002 25.559 -4.383 1.00 0.00 O ATOM 1081 CB SER A 71 5.825 28.583 -3.775 1.00 0.00 C ATOM 1082 OG SER A 71 5.258 28.585 -2.472 1.00 0.00 O ATOM 0 H SER A 71 8.049 28.586 -4.798 1.00 0.00 H new ATOM 0 HA SER A 71 6.741 26.786 -3.039 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.482 29.444 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.038 28.673 -4.524 1.00 0.00 H new ATOM 0 HG SER A 71 4.757 29.416 -2.335 1.00 0.00 H new ATOM 1088 N LYS A 72 6.141 26.260 -6.191 1.00 0.00 N ATOM 1089 CA LYS A 72 5.523 25.283 -7.095 1.00 0.00 C ATOM 1090 C LYS A 72 6.086 23.869 -6.925 1.00 0.00 C ATOM 1091 O LYS A 72 5.327 22.902 -6.938 1.00 0.00 O ATOM 1092 CB LYS A 72 5.563 25.749 -8.554 1.00 0.00 C ATOM 1093 CG LYS A 72 4.311 25.243 -9.308 1.00 0.00 C ATOM 1094 CD LYS A 72 3.446 26.404 -9.815 1.00 0.00 C ATOM 1095 CE LYS A 72 4.162 27.211 -10.903 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.107 26.504 -12.203 1.00 0.00 N ATOM 0 H LYS A 72 6.810 26.883 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 72 4.474 25.223 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.607 26.837 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.465 25.375 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.619 24.624 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.719 24.610 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.508 26.014 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.193 27.060 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.699 28.193 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.201 27.375 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.476 27.125 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.684 25.640 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.122 26.250 -12.419 1.00 0.00 H new ATOM 1110 N PHE A 73 7.393 23.751 -6.673 1.00 0.00 N ATOM 1111 CA PHE A 73 8.048 22.504 -6.244 1.00 0.00 C ATOM 1112 C PHE A 73 7.413 21.964 -4.961 1.00 0.00 C ATOM 1113 O PHE A 73 6.959 20.819 -4.908 1.00 0.00 O ATOM 1114 CB PHE A 73 9.560 22.761 -6.112 1.00 0.00 C ATOM 1115 CG PHE A 73 10.380 21.643 -5.501 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.392 20.358 -6.078 1.00 0.00 C ATOM 1117 CD2 PHE A 73 11.151 21.898 -4.350 1.00 0.00 C ATOM 1118 CE1 PHE A 73 11.172 19.336 -5.510 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.916 20.872 -3.771 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.922 19.593 -4.350 1.00 0.00 C ATOM 0 H PHE A 73 8.041 24.533 -6.762 1.00 0.00 H new ATOM 0 HA PHE A 73 7.904 21.724 -6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.959 22.975 -7.104 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.703 23.659 -5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.800 20.158 -6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.154 22.885 -3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.195 18.356 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.498 21.067 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.506 18.803 -3.902 1.00 0.00 H new ATOM 1130 N ARG A 74 7.231 22.837 -3.969 1.00 0.00 N ATOM 1131 CA ARG A 74 6.559 22.531 -2.702 1.00 0.00 C ATOM 1132 C ARG A 74 5.136 22.002 -2.864 1.00 0.00 C ATOM 1133 O ARG A 74 4.746 21.097 -2.141 1.00 0.00 O ATOM 1134 CB ARG A 74 6.557 23.803 -1.841 1.00 0.00 C ATOM 1135 CG ARG A 74 6.563 23.514 -0.332 1.00 0.00 C ATOM 1136 CD ARG A 74 6.060 24.691 0.528 1.00 0.00 C ATOM 1137 NE ARG A 74 6.353 26.034 -0.020 1.00 0.00 N ATOM 1138 CZ ARG A 74 7.521 26.590 -0.286 1.00 0.00 C ATOM 1139 NH1 ARG A 74 8.651 25.986 -0.081 1.00 0.00 N ATOM 1140 NH2 ARG A 74 7.554 27.782 -0.792 1.00 0.00 N ATOM 0 H ARG A 74 7.555 23.803 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 74 7.114 21.724 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.430 24.405 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.678 24.399 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.941 22.641 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.577 23.258 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.982 24.594 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.506 24.614 1.519 1.00 0.00 H new ATOM 0 HE ARG A 74 5.537 26.612 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.662 25.040 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.528 26.457 -0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.684 28.280 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.450 28.222 -1.002 1.00 0.00 H new ATOM 1154 N LYS A 75 4.356 22.508 -3.823 1.00 0.00 N ATOM 1155 CA LYS A 75 2.981 22.071 -4.098 1.00 0.00 C ATOM 1156 C LYS A 75 2.920 20.612 -4.541 1.00 0.00 C ATOM 1157 O LYS A 75 1.933 19.939 -4.266 1.00 0.00 O ATOM 1158 CB LYS A 75 2.350 23.069 -5.096 1.00 0.00 C ATOM 1159 CG LYS A 75 1.040 22.672 -5.808 1.00 0.00 C ATOM 1160 CD LYS A 75 1.232 21.867 -7.113 1.00 0.00 C ATOM 1161 CE LYS A 75 0.037 22.143 -8.050 1.00 0.00 C ATOM 1162 NZ LYS A 75 0.096 21.428 -9.353 1.00 0.00 N ATOM 0 H LYS A 75 4.670 23.252 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 75 2.386 22.087 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.167 24.001 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.093 23.283 -5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.433 22.083 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.477 23.577 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.165 22.152 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.300 20.802 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.883 21.862 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.019 23.215 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.859 21.371 -9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.720 21.945 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.468 20.468 -9.206 1.00 0.00 H new ATOM 1176 N LEU A 76 4.002 20.109 -5.138 1.00 0.00 N ATOM 1177 CA LEU A 76 4.155 18.710 -5.526 1.00 0.00 C ATOM 1178 C LEU A 76 4.791 17.883 -4.413 1.00 0.00 C ATOM 1179 O LEU A 76 4.258 16.845 -4.024 1.00 0.00 O ATOM 1180 CB LEU A 76 4.954 18.680 -6.856 1.00 0.00 C ATOM 1181 CG LEU A 76 4.671 17.552 -7.868 1.00 0.00 C ATOM 1182 CD1 LEU A 76 5.017 16.165 -7.339 1.00 0.00 C ATOM 1183 CD2 LEU A 76 3.222 17.551 -8.351 1.00 0.00 C ATOM 0 H LEU A 76 4.815 20.679 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 76 3.183 18.244 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.784 19.629 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.014 18.638 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 76 5.329 17.771 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.793 15.419 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.078 16.124 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.428 15.959 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.076 16.737 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.555 17.414 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.000 18.501 -8.837 1.00 0.00 H new ATOM 1195 N VAL A 77 5.879 18.378 -3.833 1.00 0.00 N ATOM 1196 CA VAL A 77 6.592 17.659 -2.764 1.00 0.00 C ATOM 1197 C VAL A 77 5.693 17.450 -1.559 1.00 0.00 C ATOM 1198 O VAL A 77 5.627 16.352 -1.014 1.00 0.00 O ATOM 1199 CB VAL A 77 7.886 18.386 -2.367 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.540 17.816 -1.106 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.899 18.245 -3.495 1.00 0.00 C ATOM 0 H VAL A 77 6.293 19.276 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 77 6.871 16.679 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 77 7.609 19.422 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.448 18.375 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.848 17.899 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.790 16.768 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.821 18.758 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.108 17.189 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.494 18.687 -4.405 1.00 0.00 H new ATOM 1211 N THR A 78 4.930 18.474 -1.180 1.00 0.00 N ATOM 1212 CA THR A 78 3.973 18.384 -0.081 1.00 0.00 C ATOM 1213 C THR A 78 2.817 17.468 -0.426 1.00 0.00 C ATOM 1214 O THR A 78 2.387 16.704 0.435 1.00 0.00 O ATOM 1215 CB THR A 78 3.476 19.769 0.377 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.552 20.482 0.947 1.00 0.00 O ATOM 1217 CG2 THR A 78 2.413 19.723 1.477 1.00 0.00 C ATOM 0 H THR A 78 4.959 19.390 -1.628 1.00 0.00 H new ATOM 0 HA THR A 78 4.504 17.945 0.763 1.00 0.00 H new ATOM 0 HB THR A 78 3.053 20.228 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.242 21.365 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.118 20.739 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.542 19.174 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.820 19.224 2.356 1.00 0.00 H new ATOM 1225 N ALA A 79 2.358 17.466 -1.680 1.00 0.00 N ATOM 1226 CA ALA A 79 1.210 16.643 -2.043 1.00 0.00 C ATOM 1227 C ALA A 79 1.548 15.159 -2.130 1.00 0.00 C ATOM 1228 O ALA A 79 0.744 14.313 -1.743 1.00 0.00 O ATOM 1229 CB ALA A 79 0.583 17.175 -3.335 1.00 0.00 C ATOM 0 H ALA A 79 2.755 18.013 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 79 0.474 16.719 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.275 16.558 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.257 18.204 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.320 17.142 -4.138 1.00 0.00 H new ATOM 1235 N ILE A 80 2.781 14.847 -2.517 1.00 0.00 N ATOM 1236 CA ILE A 80 3.281 13.479 -2.520 1.00 0.00 C ATOM 1237 C ILE A 80 3.611 13.083 -1.089 1.00 0.00 C ATOM 1238 O ILE A 80 3.304 11.965 -0.708 1.00 0.00 O ATOM 1239 CB ILE A 80 4.482 13.323 -3.471 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.110 13.627 -4.940 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.097 11.917 -3.373 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.197 12.614 -5.640 1.00 0.00 C ATOM 0 H ILE A 80 3.461 15.537 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 80 2.516 12.803 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 80 5.221 14.057 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.625 14.603 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.032 13.709 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.942 11.841 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.439 11.740 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.347 11.172 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.010 12.939 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.680 11.637 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.251 12.545 -5.103 1.00 0.00 H new ATOM 1254 N LYS A 81 4.126 13.987 -0.247 1.00 0.00 N ATOM 1255 CA LYS A 81 4.489 13.635 1.138 1.00 0.00 C ATOM 1256 C LYS A 81 3.257 13.265 1.945 1.00 0.00 C ATOM 1257 O LYS A 81 3.261 12.293 2.694 1.00 0.00 O ATOM 1258 CB LYS A 81 5.224 14.802 1.813 1.00 0.00 C ATOM 1259 CG LYS A 81 5.946 14.352 3.093 1.00 0.00 C ATOM 1260 CD LYS A 81 6.894 15.420 3.662 1.00 0.00 C ATOM 1261 CE LYS A 81 8.116 15.628 2.757 1.00 0.00 C ATOM 1262 NZ LYS A 81 9.180 16.419 3.421 1.00 0.00 N ATOM 0 H LYS A 81 4.301 14.961 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 81 5.152 12.770 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.947 15.228 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.511 15.590 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.204 14.094 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.515 13.446 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.357 16.362 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.224 15.122 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.517 14.658 2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.806 16.135 1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.087 16.255 2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.941 17.430 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.260 16.127 4.416 1.00 0.00 H new ATOM 1276 N ALA A 82 2.201 14.043 1.740 1.00 0.00 N ATOM 1277 CA ALA A 82 0.883 13.815 2.317 1.00 0.00 C ATOM 1278 C ALA A 82 0.265 12.507 1.805 1.00 0.00 C ATOM 1279 O ALA A 82 -0.099 11.642 2.603 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.004 15.032 2.025 1.00 0.00 C ATOM 0 H ALA A 82 2.240 14.874 1.150 1.00 0.00 H new ATOM 0 HA ALA A 82 0.972 13.701 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.994 14.872 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.443 15.922 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.092 15.168 0.947 1.00 0.00 H new ATOM 1286 N ALA A 83 0.196 12.328 0.481 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.333 11.105 -0.126 1.00 0.00 C ATOM 1288 C ALA A 83 0.438 9.848 0.295 1.00 0.00 C ATOM 1289 O ALA A 83 -0.155 8.797 0.543 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.362 11.263 -1.650 1.00 0.00 C ATOM 0 H ALA A 83 0.505 13.025 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.349 10.962 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.756 10.353 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.000 12.106 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.649 11.443 -2.016 1.00 0.00 H new ATOM 1296 N LEU A 84 1.755 9.988 0.445 1.00 0.00 N ATOM 1297 CA LEU A 84 2.653 8.926 0.882 1.00 0.00 C ATOM 1298 C LEU A 84 2.343 8.512 2.308 1.00 0.00 C ATOM 1299 O LEU A 84 2.053 7.347 2.564 1.00 0.00 O ATOM 1300 CB LEU A 84 4.119 9.381 0.743 1.00 0.00 C ATOM 1301 CG LEU A 84 5.193 8.299 0.837 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.525 7.867 2.267 1.00 0.00 C ATOM 1303 CD2 LEU A 84 4.793 7.092 -0.008 1.00 0.00 C ATOM 0 H LEU A 84 2.237 10.868 0.260 1.00 0.00 H new ATOM 0 HA LEU A 84 2.501 8.055 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.228 9.884 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.318 10.124 1.516 1.00 0.00 H new ATOM 0 HG LEU A 84 6.108 8.745 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.296 7.097 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.887 8.726 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.629 7.470 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.564 6.325 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.847 6.691 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.682 7.397 -1.048 1.00 0.00 H new ATOM 1315 N ALA A 85 2.374 9.474 3.227 1.00 0.00 N ATOM 1316 CA ALA A 85 2.108 9.228 4.644 1.00 0.00 C ATOM 1317 C ALA A 85 0.720 8.626 4.920 1.00 0.00 C ATOM 1318 O ALA A 85 0.528 7.968 5.938 1.00 0.00 O ATOM 1319 CB ALA A 85 2.322 10.527 5.428 1.00 0.00 C ATOM 0 H ALA A 85 2.585 10.448 3.011 1.00 0.00 H new ATOM 0 HA ALA A 85 2.814 8.469 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.125 10.350 6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.351 10.863 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.642 11.293 5.055 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.221 8.794 3.991 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.578 8.246 4.054 1.00 0.00 C ATOM 1327 C GLN A 86 -1.669 6.841 3.433 1.00 0.00 C ATOM 1328 O GLN A 86 -2.394 5.984 3.930 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.548 9.281 3.450 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.013 9.075 3.867 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.845 10.344 3.660 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.073 11.131 4.561 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.334 10.622 2.472 1.00 0.00 N ATOM 0 H GLN A 86 -0.054 9.335 3.143 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.872 8.082 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.232 10.280 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.480 9.238 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.445 8.258 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.055 8.779 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.166 9.989 1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.882 11.471 2.332 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.859 6.570 2.409 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.623 5.247 1.818 1.00 0.00 C ATOM 1344 C CYS A 87 0.231 4.325 2.710 1.00 0.00 C ATOM 1345 O CYS A 87 0.157 3.100 2.602 1.00 0.00 O ATOM 1346 CB CYS A 87 0.069 5.439 0.461 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.396 4.083 -0.657 1.00 0.00 S ATOM 0 H CYS A 87 -0.322 7.302 1.944 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.590 4.757 1.706 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.218 6.397 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.151 5.461 0.593 1.00 0.00 H new ATOM 0 HG CYS A 87 0.605 3.801 -1.437 1.00 0.00 H new ATOM 1353 N GLN A 88 1.034 4.902 3.610 1.00 0.00 N ATOM 1354 CA GLN A 88 1.910 4.145 4.518 1.00 0.00 C ATOM 1355 C GLN A 88 1.143 3.262 5.527 1.00 0.00 C ATOM 1356 O GLN A 88 1.709 2.301 6.046 1.00 0.00 O ATOM 1357 CB GLN A 88 2.889 5.119 5.212 1.00 0.00 C ATOM 1358 CG GLN A 88 4.176 4.456 5.748 1.00 0.00 C ATOM 1359 CD GLN A 88 4.244 4.350 7.271 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.037 4.992 7.937 1.00 0.00 O ATOM 1361 NE2 GLN A 88 3.442 3.522 7.898 1.00 0.00 N ATOM 0 H GLN A 88 1.097 5.913 3.732 1.00 0.00 H new ATOM 0 HA GLN A 88 2.478 3.435 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.165 5.902 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.373 5.605 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.260 3.456 5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.037 5.025 5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.766 2.969 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.495 3.431 8.913 1.00 0.00 H new TER 1370 GLN A 88