USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 CYS SG : rot 55:sc= 0.327 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.026 X(o=0.35,f=0.32) USER MOD Set 2.1: A 21 GLN : amide:sc= -0.0133 K(o=0.014,f=-4.3) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -131:sc= 0.0276! (180deg=-0.797!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 52:sc= 0.927 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0854 USER MOD Single : A 15 TYR OH : rot 30:sc= -0.598 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 152:sc= 1.17 (180deg=0.595) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.305 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0.106) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 76:sc= 0.827 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.635 K(o=0.63,f=-3.1!) USER MOD Single : A 59 SER OG : rot 127:sc= 1.64 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.626) USER MOD Single : A 66 TYR OH : rot -18:sc= 0.503 USER MOD Single : A 69 THR OG1 : rot -68:sc= 1.29 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 1.81 (180deg=1.27) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= 0.12! (180deg=-0.612!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot -155:sc= -0.188 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.006 1.115 -1.665 1.00 0.00 N ATOM 21 CA ALA A 2 4.590 2.222 -2.425 1.00 0.00 C ATOM 22 C ALA A 2 3.512 2.950 -3.261 1.00 0.00 C ATOM 23 O ALA A 2 2.367 2.496 -3.356 1.00 0.00 O ATOM 24 CB ALA A 2 5.723 1.685 -3.320 1.00 0.00 C ATOM 0 HA ALA A 2 5.005 2.952 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.160 2.507 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.491 1.225 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.321 0.942 -4.009 1.00 0.00 H new ATOM 30 N LEU A 3 3.898 4.044 -3.922 1.00 0.00 N ATOM 31 CA LEU A 3 3.130 4.752 -4.943 1.00 0.00 C ATOM 32 C LEU A 3 3.962 4.811 -6.230 1.00 0.00 C ATOM 33 O LEU A 3 5.169 4.597 -6.187 1.00 0.00 O ATOM 34 CB LEU A 3 2.828 6.169 -4.418 1.00 0.00 C ATOM 35 CG LEU A 3 1.527 6.841 -4.881 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.277 6.023 -4.568 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.385 8.173 -4.138 1.00 0.00 C ATOM 0 H LEU A 3 4.803 4.481 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 3 2.191 4.242 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.814 6.127 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.658 6.816 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 3 1.597 6.954 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.605 6.556 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.341 5.056 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.201 5.872 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.466 8.669 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.349 7.989 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.238 8.811 -4.369 1.00 0.00 H new ATOM 49 N ALA A 4 3.330 5.188 -7.338 1.00 0.00 N ATOM 50 CA ALA A 4 3.957 5.365 -8.648 1.00 0.00 C ATOM 51 C ALA A 4 3.609 6.724 -9.265 1.00 0.00 C ATOM 52 O ALA A 4 2.431 7.087 -9.342 1.00 0.00 O ATOM 53 CB ALA A 4 3.529 4.207 -9.560 1.00 0.00 C ATOM 0 H ALA A 4 2.330 5.386 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 4 5.041 5.352 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.990 4.327 -10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.849 3.262 -9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.444 4.209 -9.666 1.00 0.00 H new ATOM 59 N VAL A 5 4.620 7.455 -9.740 1.00 0.00 N ATOM 60 CA VAL A 5 4.457 8.649 -10.577 1.00 0.00 C ATOM 61 C VAL A 5 4.971 8.359 -11.987 1.00 0.00 C ATOM 62 O VAL A 5 5.943 7.643 -12.202 1.00 0.00 O ATOM 63 CB VAL A 5 5.140 9.902 -9.995 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.756 11.204 -10.712 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.882 10.149 -8.504 1.00 0.00 C ATOM 0 H VAL A 5 5.596 7.230 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 5 3.392 8.877 -10.608 1.00 0.00 H new ATOM 0 HB VAL A 5 6.192 9.662 -10.151 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.275 12.042 -10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.040 11.138 -11.762 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.679 11.357 -10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.404 11.052 -8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.812 10.271 -8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.246 9.299 -7.926 1.00 0.00 H new ATOM 75 N ARG A 6 4.334 8.975 -12.970 1.00 0.00 N ATOM 76 CA ARG A 6 4.703 8.996 -14.391 1.00 0.00 C ATOM 77 C ARG A 6 4.844 10.436 -14.877 1.00 0.00 C ATOM 78 O ARG A 6 4.252 11.337 -14.283 1.00 0.00 O ATOM 79 CB ARG A 6 3.633 8.232 -15.199 1.00 0.00 C ATOM 80 CG ARG A 6 4.116 6.847 -15.636 1.00 0.00 C ATOM 81 CD ARG A 6 4.299 5.814 -14.519 1.00 0.00 C ATOM 82 NE ARG A 6 4.892 4.610 -15.100 1.00 0.00 N ATOM 83 CZ ARG A 6 5.775 3.795 -14.568 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.975 3.677 -13.282 1.00 0.00 N ATOM 85 NH2 ARG A 6 6.545 3.148 -15.388 1.00 0.00 N ATOM 0 H ARG A 6 3.486 9.513 -12.792 1.00 0.00 H new ATOM 0 HA ARG A 6 5.666 8.506 -14.533 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.731 8.126 -14.596 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.361 8.814 -16.079 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.405 6.448 -16.359 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.067 6.963 -16.155 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.942 6.213 -13.734 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.340 5.580 -14.057 1.00 0.00 H new ATOM 0 HE ARG A 6 4.579 4.372 -16.041 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.429 4.237 -12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.677 3.025 -12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.448 3.285 -16.394 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.247 2.503 -15.026 1.00 0.00 H new ATOM 99 N VAL A 7 5.582 10.643 -15.967 1.00 0.00 N ATOM 100 CA VAL A 7 5.828 11.939 -16.618 1.00 0.00 C ATOM 101 C VAL A 7 5.903 11.719 -18.128 1.00 0.00 C ATOM 102 O VAL A 7 6.926 11.250 -18.624 1.00 0.00 O ATOM 103 CB VAL A 7 7.135 12.608 -16.125 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.257 14.031 -16.692 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.250 12.687 -14.600 1.00 0.00 C ATOM 0 H VAL A 7 6.050 9.875 -16.448 1.00 0.00 H new ATOM 0 HA VAL A 7 5.008 12.609 -16.361 1.00 0.00 H new ATOM 0 HB VAL A 7 7.941 11.970 -16.486 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.181 14.487 -16.336 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.270 13.989 -17.781 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.407 14.628 -16.362 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.191 13.167 -14.330 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.418 13.269 -14.202 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.223 11.681 -14.180 1.00 0.00 H new ATOM 115 N VAL A 8 4.843 12.006 -18.883 1.00 0.00 N ATOM 116 CA VAL A 8 4.967 12.069 -20.357 1.00 0.00 C ATOM 117 C VAL A 8 5.704 13.345 -20.755 1.00 0.00 C ATOM 118 O VAL A 8 5.433 14.396 -20.179 1.00 0.00 O ATOM 119 CB VAL A 8 3.612 11.918 -21.074 1.00 0.00 C ATOM 120 CG1 VAL A 8 2.568 12.949 -20.658 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.751 11.951 -22.601 1.00 0.00 C ATOM 0 H VAL A 8 3.909 12.195 -18.521 1.00 0.00 H new ATOM 0 HA VAL A 8 5.557 11.215 -20.688 1.00 0.00 H new ATOM 0 HB VAL A 8 3.260 10.937 -20.756 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.644 12.773 -21.208 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.376 12.861 -19.589 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.937 13.950 -20.879 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.768 11.841 -23.058 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.189 12.902 -22.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.396 11.134 -22.925 1.00 0.00 H new ATOM 131 N TYR A 9 6.662 13.277 -21.693 1.00 0.00 N ATOM 132 CA TYR A 9 7.232 14.475 -22.317 1.00 0.00 C ATOM 133 C TYR A 9 7.951 14.161 -23.647 1.00 0.00 C ATOM 134 O TYR A 9 8.385 13.035 -23.886 1.00 0.00 O ATOM 135 CB TYR A 9 8.217 15.163 -21.349 1.00 0.00 C ATOM 136 CG TYR A 9 8.814 16.455 -21.881 1.00 0.00 C ATOM 137 CD1 TYR A 9 7.970 17.433 -22.450 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.201 16.683 -21.808 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.503 18.632 -22.950 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.741 17.893 -22.294 1.00 0.00 C ATOM 141 CZ TYR A 9 9.894 18.866 -22.868 1.00 0.00 C ATOM 142 OH TYR A 9 10.403 20.047 -23.300 1.00 0.00 O ATOM 0 H TYR A 9 7.057 12.401 -22.035 1.00 0.00 H new ATOM 0 HA TYR A 9 6.400 15.143 -22.540 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.701 15.373 -20.412 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.026 14.470 -21.119 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.906 17.258 -22.501 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.851 15.933 -21.381 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.853 19.371 -23.395 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.803 18.075 -22.227 1.00 0.00 H new ATOM 0 HH TYR A 9 11.375 20.050 -23.174 1.00 0.00 H new ATOM 152 N SER A 10 8.159 15.177 -24.491 1.00 0.00 N ATOM 153 CA SER A 10 9.070 15.175 -25.632 1.00 0.00 C ATOM 154 C SER A 10 10.470 15.658 -25.229 1.00 0.00 C ATOM 155 O SER A 10 10.813 16.829 -25.407 1.00 0.00 O ATOM 156 CB SER A 10 8.484 16.039 -26.756 1.00 0.00 C ATOM 157 OG SER A 10 8.406 17.393 -26.370 1.00 0.00 O ATOM 0 H SER A 10 7.670 16.066 -24.388 1.00 0.00 H new ATOM 0 HA SER A 10 9.179 14.153 -25.994 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.103 15.948 -27.649 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.491 15.675 -27.018 1.00 0.00 H new ATOM 0 HG SER A 10 9.277 17.687 -26.030 1.00 0.00 H new ATOM 163 N GLY A 11 11.303 14.758 -24.705 1.00 0.00 N ATOM 164 CA GLY A 11 12.669 15.047 -24.249 1.00 0.00 C ATOM 165 C GLY A 11 13.702 15.342 -25.350 1.00 0.00 C ATOM 166 O GLY A 11 14.843 14.903 -25.241 1.00 0.00 O ATOM 0 H GLY A 11 11.042 13.780 -24.581 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.632 15.903 -23.575 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.023 14.197 -23.665 1.00 0.00 H new ATOM 170 N ALA A 12 13.326 16.058 -26.412 1.00 0.00 N ATOM 171 CA ALA A 12 14.105 16.243 -27.644 1.00 0.00 C ATOM 172 C ALA A 12 15.493 16.897 -27.461 1.00 0.00 C ATOM 173 O ALA A 12 16.379 16.693 -28.288 1.00 0.00 O ATOM 174 CB ALA A 12 13.239 17.046 -28.624 1.00 0.00 C ATOM 0 H ALA A 12 12.431 16.547 -26.441 1.00 0.00 H new ATOM 0 HA ALA A 12 14.342 15.251 -28.029 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.789 17.202 -29.552 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.322 16.496 -28.834 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.991 18.011 -28.183 1.00 0.00 H new ATOM 180 N CYS A 13 15.708 17.657 -26.383 1.00 0.00 N ATOM 181 CA CYS A 13 17.034 18.067 -25.923 1.00 0.00 C ATOM 182 C CYS A 13 17.023 18.267 -24.396 1.00 0.00 C ATOM 183 O CYS A 13 15.958 18.385 -23.789 1.00 0.00 O ATOM 184 CB CYS A 13 17.455 19.342 -26.670 1.00 0.00 C ATOM 185 SG CYS A 13 19.259 19.544 -26.581 1.00 0.00 S ATOM 0 H CYS A 13 14.951 18.009 -25.797 1.00 0.00 H new ATOM 0 HA CYS A 13 17.766 17.290 -26.141 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.138 19.285 -27.711 1.00 0.00 H new ATOM 0 HB3 CYS A 13 16.961 20.210 -26.233 1.00 0.00 H new ATOM 0 HG CYS A 13 19.607 20.623 -27.217 1.00 0.00 H new ATOM 191 N GLY A 14 18.205 18.285 -23.765 1.00 0.00 N ATOM 192 CA GLY A 14 18.454 18.597 -22.343 1.00 0.00 C ATOM 193 C GLY A 14 17.714 17.767 -21.276 1.00 0.00 C ATOM 194 O GLY A 14 17.881 18.020 -20.082 1.00 0.00 O ATOM 0 H GLY A 14 19.070 18.069 -24.261 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.524 18.495 -22.162 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.203 19.645 -22.183 1.00 0.00 H new ATOM 198 N TYR A 15 16.874 16.803 -21.668 1.00 0.00 N ATOM 199 CA TYR A 15 15.819 16.293 -20.791 1.00 0.00 C ATOM 200 C TYR A 15 16.335 15.536 -19.570 1.00 0.00 C ATOM 201 O TYR A 15 15.807 15.729 -18.483 1.00 0.00 O ATOM 202 CB TYR A 15 14.802 15.456 -21.579 1.00 0.00 C ATOM 203 CG TYR A 15 15.003 13.949 -21.570 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.811 13.331 -22.544 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.371 13.166 -20.580 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.985 11.934 -22.534 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.550 11.772 -20.560 1.00 0.00 C ATOM 208 CZ TYR A 15 15.351 11.155 -21.541 1.00 0.00 C ATOM 209 OH TYR A 15 15.510 9.807 -21.521 1.00 0.00 O ATOM 0 H TYR A 15 16.906 16.362 -22.587 1.00 0.00 H new ATOM 0 HA TYR A 15 15.315 17.174 -20.393 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.808 15.669 -21.185 1.00 0.00 H new ATOM 0 HB3 TYR A 15 14.813 15.794 -22.615 1.00 0.00 H new ATOM 0 HD1 TYR A 15 16.298 13.930 -23.300 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.748 13.639 -19.836 1.00 0.00 H new ATOM 0 HE1 TYR A 15 16.601 11.459 -23.283 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.075 11.176 -19.795 1.00 0.00 H new ATOM 0 HH TYR A 15 16.388 9.576 -21.889 1.00 0.00 H new ATOM 219 N LYS A 16 17.353 14.685 -19.728 1.00 0.00 N ATOM 220 CA LYS A 16 17.874 13.821 -18.653 1.00 0.00 C ATOM 221 C LYS A 16 18.143 14.561 -17.337 1.00 0.00 C ATOM 222 O LYS A 16 17.479 14.211 -16.364 1.00 0.00 O ATOM 223 CB LYS A 16 19.077 12.980 -19.126 1.00 0.00 C ATOM 224 CG LYS A 16 18.633 11.634 -19.704 1.00 0.00 C ATOM 225 CD LYS A 16 18.334 10.627 -18.578 1.00 0.00 C ATOM 226 CE LYS A 16 17.420 9.540 -19.133 1.00 0.00 C ATOM 227 NZ LYS A 16 17.105 8.488 -18.137 1.00 0.00 N ATOM 0 H LYS A 16 17.847 14.572 -20.613 1.00 0.00 H new ATOM 0 HA LYS A 16 17.071 13.123 -18.416 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.634 13.534 -19.881 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.755 12.811 -18.289 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.744 11.773 -20.319 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.412 11.238 -20.355 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.260 10.190 -18.205 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.857 11.130 -17.737 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.492 9.995 -19.480 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.894 9.082 -20.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.481 7.777 -18.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.986 8.032 -17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.627 8.917 -17.319 1.00 0.00 H new ATOM 241 N PRO A 17 19.035 15.567 -17.260 1.00 0.00 N ATOM 242 CA PRO A 17 19.241 16.311 -16.017 1.00 0.00 C ATOM 243 C PRO A 17 18.015 17.138 -15.605 1.00 0.00 C ATOM 244 O PRO A 17 17.705 17.168 -14.418 1.00 0.00 O ATOM 245 CB PRO A 17 20.475 17.185 -16.259 1.00 0.00 C ATOM 246 CG PRO A 17 20.493 17.371 -17.777 1.00 0.00 C ATOM 247 CD PRO A 17 19.943 16.042 -18.294 1.00 0.00 C ATOM 0 HA PRO A 17 19.392 15.630 -15.179 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.398 18.140 -15.739 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.385 16.701 -15.904 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.873 18.212 -18.088 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.500 17.563 -18.148 1.00 0.00 H new ATOM 0 HD2 PRO A 17 19.422 16.175 -19.242 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.746 15.327 -18.469 1.00 0.00 H new ATOM 255 N LYS A 18 17.256 17.735 -16.542 1.00 0.00 N ATOM 256 CA LYS A 18 15.987 18.429 -16.226 1.00 0.00 C ATOM 257 C LYS A 18 15.008 17.512 -15.477 1.00 0.00 C ATOM 258 O LYS A 18 14.415 17.918 -14.481 1.00 0.00 O ATOM 259 CB LYS A 18 15.375 19.001 -17.523 1.00 0.00 C ATOM 260 CG LYS A 18 14.008 19.677 -17.310 1.00 0.00 C ATOM 261 CD LYS A 18 13.412 20.182 -18.636 1.00 0.00 C ATOM 262 CE LYS A 18 11.967 20.677 -18.464 1.00 0.00 C ATOM 263 NZ LYS A 18 11.892 21.912 -17.646 1.00 0.00 N ATOM 0 H LYS A 18 17.499 17.752 -17.532 1.00 0.00 H new ATOM 0 HA LYS A 18 16.198 19.258 -15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.067 19.725 -17.953 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.264 18.196 -18.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.320 18.969 -16.847 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.119 20.512 -16.619 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.029 20.992 -19.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.435 19.380 -19.373 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.530 20.866 -19.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.370 19.895 -17.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.056 22.463 -17.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.819 21.658 -16.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.749 22.482 -17.798 1.00 0.00 H new ATOM 277 N TYR A 19 14.831 16.294 -15.979 1.00 0.00 N ATOM 278 CA TYR A 19 13.993 15.238 -15.419 1.00 0.00 C ATOM 279 C TYR A 19 14.494 14.807 -14.045 1.00 0.00 C ATOM 280 O TYR A 19 13.755 14.872 -13.065 1.00 0.00 O ATOM 281 CB TYR A 19 14.011 14.051 -16.388 1.00 0.00 C ATOM 282 CG TYR A 19 13.213 12.854 -15.919 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.808 12.829 -16.036 1.00 0.00 C ATOM 284 CD2 TYR A 19 13.892 11.781 -15.313 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.083 11.735 -15.520 1.00 0.00 C ATOM 286 CE2 TYR A 19 13.174 10.683 -14.813 1.00 0.00 C ATOM 287 CZ TYR A 19 11.770 10.665 -14.907 1.00 0.00 C ATOM 288 OH TYR A 19 11.105 9.618 -14.366 1.00 0.00 O ATOM 0 H TYR A 19 15.296 16.000 -16.838 1.00 0.00 H new ATOM 0 HA TYR A 19 12.976 15.609 -15.291 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.621 14.378 -17.352 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.044 13.744 -16.549 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.289 13.644 -16.519 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.969 11.802 -15.232 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.006 11.716 -15.594 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.697 9.855 -14.358 1.00 0.00 H new ATOM 0 HH TYR A 19 11.748 8.980 -13.991 1.00 0.00 H new ATOM 298 N LEU A 20 15.762 14.392 -13.979 1.00 0.00 N ATOM 299 CA LEU A 20 16.388 13.972 -12.722 1.00 0.00 C ATOM 300 C LEU A 20 16.307 15.046 -11.637 1.00 0.00 C ATOM 301 O LEU A 20 16.107 14.675 -10.498 1.00 0.00 O ATOM 302 CB LEU A 20 17.860 13.572 -12.899 1.00 0.00 C ATOM 303 CG LEU A 20 18.126 12.074 -13.152 1.00 0.00 C ATOM 304 CD1 LEU A 20 18.076 11.690 -14.632 1.00 0.00 C ATOM 305 CD2 LEU A 20 19.511 11.680 -12.636 1.00 0.00 C ATOM 0 H LEU A 20 16.380 14.338 -14.789 1.00 0.00 H new ATOM 0 HA LEU A 20 15.815 13.100 -12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.273 14.140 -13.733 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.408 13.873 -12.006 1.00 0.00 H new ATOM 0 HG LEU A 20 17.331 11.549 -12.623 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.272 10.623 -14.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.089 11.920 -15.034 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.831 12.253 -15.180 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.681 10.620 -12.823 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.272 12.266 -13.152 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.569 11.873 -11.565 1.00 0.00 H new ATOM 317 N GLN A 21 16.419 16.341 -11.934 1.00 0.00 N ATOM 318 CA GLN A 21 16.422 17.378 -10.896 1.00 0.00 C ATOM 319 C GLN A 21 15.108 17.388 -10.097 1.00 0.00 C ATOM 320 O GLN A 21 15.124 17.544 -8.878 1.00 0.00 O ATOM 321 CB GLN A 21 16.703 18.745 -11.552 1.00 0.00 C ATOM 322 CG GLN A 21 17.426 19.739 -10.635 1.00 0.00 C ATOM 323 CD GLN A 21 16.620 20.208 -9.430 1.00 0.00 C ATOM 324 OE1 GLN A 21 17.020 20.049 -8.291 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.480 20.837 -9.620 1.00 0.00 N ATOM 0 H GLN A 21 16.509 16.699 -12.885 1.00 0.00 H new ATOM 0 HA GLN A 21 17.212 17.160 -10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.304 18.590 -12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.758 19.184 -11.873 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.348 19.278 -10.279 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.712 20.611 -11.223 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.128 20.980 -10.567 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.948 21.182 -8.821 1.00 0.00 H new ATOM 334 N LEU A 22 13.969 17.175 -10.770 1.00 0.00 N ATOM 335 CA LEU A 22 12.699 16.888 -10.096 1.00 0.00 C ATOM 336 C LEU A 22 12.701 15.489 -9.454 1.00 0.00 C ATOM 337 O LEU A 22 12.295 15.351 -8.297 1.00 0.00 O ATOM 338 CB LEU A 22 11.541 17.051 -11.099 1.00 0.00 C ATOM 339 CG LEU A 22 10.150 16.688 -10.534 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.726 17.575 -9.360 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.105 16.850 -11.639 1.00 0.00 C ATOM 0 H LEU A 22 13.903 17.197 -11.788 1.00 0.00 H new ATOM 0 HA LEU A 22 12.563 17.600 -9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.520 18.084 -11.446 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.740 16.426 -11.970 1.00 0.00 H new ATOM 0 HG LEU A 22 10.217 15.661 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.741 17.268 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.447 17.474 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.688 18.615 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.120 16.596 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.101 17.883 -11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.348 16.187 -12.470 1.00 0.00 H new ATOM 353 N LYS A 23 13.127 14.461 -10.204 1.00 0.00 N ATOM 354 CA LYS A 23 13.013 13.051 -9.788 1.00 0.00 C ATOM 355 C LYS A 23 13.813 12.736 -8.526 1.00 0.00 C ATOM 356 O LYS A 23 13.247 12.275 -7.536 1.00 0.00 O ATOM 357 CB LYS A 23 13.405 12.114 -10.951 1.00 0.00 C ATOM 358 CG LYS A 23 12.556 10.861 -10.993 1.00 0.00 C ATOM 359 CD LYS A 23 13.092 9.704 -10.139 1.00 0.00 C ATOM 360 CE LYS A 23 13.769 8.714 -11.082 1.00 0.00 C ATOM 361 NZ LYS A 23 13.846 7.370 -10.464 1.00 0.00 N ATOM 0 H LYS A 23 13.562 14.583 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 23 11.968 12.876 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.305 12.649 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.454 11.836 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.549 11.108 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.475 10.526 -12.027 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.800 10.072 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.280 9.221 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.213 8.658 -12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.771 9.065 -11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.102 6.669 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.567 7.373 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.923 7.123 -10.055 1.00 0.00 H new ATOM 375 N GLU A 24 15.111 13.040 -8.580 1.00 0.00 N ATOM 376 CA GLU A 24 16.081 13.025 -7.476 1.00 0.00 C ATOM 377 C GLU A 24 15.483 13.524 -6.164 1.00 0.00 C ATOM 378 O GLU A 24 15.552 12.818 -5.165 1.00 0.00 O ATOM 379 CB GLU A 24 17.295 13.897 -7.873 1.00 0.00 C ATOM 380 CG GLU A 24 18.412 14.015 -6.819 1.00 0.00 C ATOM 381 CD GLU A 24 18.464 15.436 -6.236 1.00 0.00 C ATOM 382 OE1 GLU A 24 17.757 15.728 -5.247 1.00 0.00 O ATOM 383 OE2 GLU A 24 19.119 16.325 -6.827 1.00 0.00 O ATOM 0 H GLU A 24 15.546 13.324 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 24 16.387 11.993 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.727 13.490 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.937 14.899 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.241 13.295 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.372 13.767 -7.271 1.00 0.00 H new ATOM 390 N LYS A 25 14.861 14.707 -6.181 1.00 0.00 N ATOM 391 CA LYS A 25 14.317 15.350 -4.983 1.00 0.00 C ATOM 392 C LYS A 25 13.263 14.491 -4.304 1.00 0.00 C ATOM 393 O LYS A 25 13.290 14.301 -3.093 1.00 0.00 O ATOM 394 CB LYS A 25 13.726 16.725 -5.361 1.00 0.00 C ATOM 395 CG LYS A 25 14.198 17.865 -4.447 1.00 0.00 C ATOM 396 CD LYS A 25 15.704 18.149 -4.504 1.00 0.00 C ATOM 397 CE LYS A 25 16.148 18.368 -5.954 1.00 0.00 C ATOM 398 NZ LYS A 25 17.612 18.420 -6.084 1.00 0.00 N ATOM 0 H LYS A 25 14.720 15.249 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 25 15.132 15.481 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.998 16.958 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.638 16.667 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.660 18.774 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.926 17.625 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.938 19.031 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.255 17.315 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.758 17.563 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.718 19.298 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.881 19.254 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.042 18.483 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.949 17.560 -6.562 1.00 0.00 H new ATOM 412 N LEU A 26 12.313 14.017 -5.099 1.00 0.00 N ATOM 413 CA LEU A 26 11.153 13.281 -4.630 1.00 0.00 C ATOM 414 C LEU A 26 11.507 11.871 -4.152 1.00 0.00 C ATOM 415 O LEU A 26 11.049 11.438 -3.102 1.00 0.00 O ATOM 416 CB LEU A 26 10.107 13.294 -5.753 1.00 0.00 C ATOM 417 CG LEU A 26 8.740 13.749 -5.232 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.709 15.219 -4.787 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.651 13.610 -6.299 1.00 0.00 C ATOM 0 H LEU A 26 12.331 14.138 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 26 10.738 13.764 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.435 13.960 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.021 12.297 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 26 8.556 13.098 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.710 15.470 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.430 15.371 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.965 15.860 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.697 13.943 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.909 14.222 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.571 12.566 -6.604 1.00 0.00 H new ATOM 431 N GLU A 27 12.369 11.178 -4.885 1.00 0.00 N ATOM 432 CA GLU A 27 12.964 9.916 -4.447 1.00 0.00 C ATOM 433 C GLU A 27 13.922 10.048 -3.255 1.00 0.00 C ATOM 434 O GLU A 27 14.021 9.109 -2.471 1.00 0.00 O ATOM 435 CB GLU A 27 13.669 9.267 -5.639 1.00 0.00 C ATOM 436 CG GLU A 27 12.766 8.157 -6.190 1.00 0.00 C ATOM 437 CD GLU A 27 13.267 7.531 -7.496 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.476 7.598 -7.830 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.418 7.031 -8.270 1.00 0.00 O ATOM 0 H GLU A 27 12.680 11.477 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 27 12.151 9.287 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.871 10.010 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.631 8.856 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.671 7.374 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.768 8.564 -6.354 1.00 0.00 H new ATOM 446 N HIS A 28 14.589 11.189 -3.070 1.00 0.00 N ATOM 447 CA HIS A 28 15.328 11.482 -1.835 1.00 0.00 C ATOM 448 C HIS A 28 14.407 11.742 -0.630 1.00 0.00 C ATOM 449 O HIS A 28 14.712 11.340 0.490 1.00 0.00 O ATOM 450 CB HIS A 28 16.246 12.689 -2.055 1.00 0.00 C ATOM 451 CG HIS A 28 17.128 13.009 -0.872 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.396 14.270 -0.398 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.765 12.115 -0.053 1.00 0.00 C ATOM 454 CE1 HIS A 28 18.194 14.141 0.677 1.00 0.00 C ATOM 455 NE2 HIS A 28 18.456 12.848 0.916 1.00 0.00 N ATOM 0 H HIS A 28 14.634 11.933 -3.766 1.00 0.00 H new ATOM 0 HA HIS A 28 15.917 10.595 -1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.875 12.501 -2.925 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.634 13.561 -2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.738 11.039 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.571 14.964 1.266 1.00 0.00 H new ATOM 0 HE2 HIS A 28 19.045 12.473 1.660 1.00 0.00 H new ATOM 463 N GLU A 29 13.271 12.399 -0.864 1.00 0.00 N ATOM 464 CA GLU A 29 12.237 12.691 0.131 1.00 0.00 C ATOM 465 C GLU A 29 11.451 11.446 0.579 1.00 0.00 C ATOM 466 O GLU A 29 11.051 11.342 1.740 1.00 0.00 O ATOM 467 CB GLU A 29 11.274 13.707 -0.501 1.00 0.00 C ATOM 468 CG GLU A 29 11.536 15.159 -0.088 1.00 0.00 C ATOM 469 CD GLU A 29 10.779 15.488 1.197 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.207 15.114 2.311 1.00 0.00 O ATOM 471 OE2 GLU A 29 9.679 16.077 1.126 1.00 0.00 O ATOM 0 H GLU A 29 13.036 12.757 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 29 12.721 13.080 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.344 13.631 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.253 13.442 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.604 15.315 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.224 15.833 -0.885 1.00 0.00 H new ATOM 478 N PHE A 30 11.195 10.513 -0.341 1.00 0.00 N ATOM 479 CA PHE A 30 10.318 9.352 -0.159 1.00 0.00 C ATOM 480 C PHE A 30 10.948 8.016 -0.632 1.00 0.00 C ATOM 481 O PHE A 30 10.282 7.241 -1.332 1.00 0.00 O ATOM 482 CB PHE A 30 8.995 9.651 -0.889 1.00 0.00 C ATOM 483 CG PHE A 30 8.386 11.024 -0.641 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.045 11.433 0.660 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.217 11.920 -1.713 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.583 12.740 0.885 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.735 13.222 -1.490 1.00 0.00 C ATOM 488 CZ PHE A 30 7.428 13.637 -0.187 1.00 0.00 C ATOM 0 H PHE A 30 11.610 10.547 -1.272 1.00 0.00 H new ATOM 0 HA PHE A 30 10.146 9.205 0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.162 9.539 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.265 8.895 -0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.138 10.743 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.460 11.604 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.345 13.059 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.602 13.900 -2.320 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.074 14.641 -0.007 1.00 0.00 H new ATOM 498 N PRO A 31 12.213 7.697 -0.291 1.00 0.00 N ATOM 499 CA PRO A 31 12.939 6.590 -0.909 1.00 0.00 C ATOM 500 C PRO A 31 12.245 5.253 -0.669 1.00 0.00 C ATOM 501 O PRO A 31 11.864 4.923 0.453 1.00 0.00 O ATOM 502 CB PRO A 31 14.353 6.614 -0.331 1.00 0.00 C ATOM 503 CG PRO A 31 14.196 7.383 0.981 1.00 0.00 C ATOM 504 CD PRO A 31 13.067 8.365 0.676 1.00 0.00 C ATOM 0 HA PRO A 31 12.969 6.706 -1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.733 5.607 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.052 7.110 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.941 6.720 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.115 7.899 1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.512 8.616 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.459 9.299 0.273 1.00 0.00 H new ATOM 512 N GLY A 32 12.041 4.504 -1.753 1.00 0.00 N ATOM 513 CA GLY A 32 11.303 3.234 -1.839 1.00 0.00 C ATOM 514 C GLY A 32 9.837 3.245 -1.397 1.00 0.00 C ATOM 515 O GLY A 32 9.101 2.304 -1.682 1.00 0.00 O ATOM 0 H GLY A 32 12.412 4.785 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.342 2.890 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.832 2.495 -1.237 1.00 0.00 H new ATOM 519 N CYS A 33 9.374 4.312 -0.749 1.00 0.00 N ATOM 520 CA CYS A 33 7.966 4.585 -0.535 1.00 0.00 C ATOM 521 C CYS A 33 7.276 5.002 -1.843 1.00 0.00 C ATOM 522 O CYS A 33 6.051 5.026 -1.931 1.00 0.00 O ATOM 523 CB CYS A 33 7.818 5.691 0.510 1.00 0.00 C ATOM 524 SG CYS A 33 8.886 5.444 1.966 1.00 0.00 S ATOM 0 H CYS A 33 9.987 5.024 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 33 7.486 3.674 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.055 6.651 0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.778 5.741 0.833 1.00 0.00 H new ATOM 0 HG CYS A 33 10.120 5.306 1.581 1.00 0.00 H new ATOM 530 N LEU A 34 8.065 5.370 -2.846 1.00 0.00 N ATOM 531 CA LEU A 34 7.598 5.949 -4.088 1.00 0.00 C ATOM 532 C LEU A 34 8.491 5.564 -5.260 1.00 0.00 C ATOM 533 O LEU A 34 9.673 5.252 -5.114 1.00 0.00 O ATOM 534 CB LEU A 34 7.584 7.482 -3.943 1.00 0.00 C ATOM 535 CG LEU A 34 6.166 8.068 -3.882 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.148 9.407 -3.156 1.00 0.00 C ATOM 537 CD2 LEU A 34 5.642 8.320 -5.294 1.00 0.00 C ATOM 0 H LEU A 34 9.079 5.268 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 34 6.597 5.568 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.125 7.760 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.118 7.925 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 34 5.546 7.346 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.129 9.794 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.511 9.273 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.791 10.114 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.636 8.736 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.298 9.024 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.617 7.380 -5.846 1.00 0.00 H new ATOM 549 N ASP A 35 7.888 5.727 -6.425 1.00 0.00 N ATOM 550 CA ASP A 35 8.466 5.714 -7.763 1.00 0.00 C ATOM 551 C ASP A 35 8.151 7.021 -8.490 1.00 0.00 C ATOM 552 O ASP A 35 7.087 7.626 -8.324 1.00 0.00 O ATOM 553 CB ASP A 35 7.840 4.536 -8.517 1.00 0.00 C ATOM 554 CG ASP A 35 7.817 4.640 -10.054 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.891 4.536 -10.685 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.707 4.820 -10.618 1.00 0.00 O ATOM 0 H ASP A 35 6.882 5.888 -6.464 1.00 0.00 H new ATOM 0 HA ASP A 35 9.550 5.612 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.381 3.630 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.815 4.413 -8.168 1.00 0.00 H new ATOM 561 N ILE A 36 9.054 7.382 -9.388 1.00 0.00 N ATOM 562 CA ILE A 36 8.782 8.225 -10.536 1.00 0.00 C ATOM 563 C ILE A 36 9.540 7.663 -11.749 1.00 0.00 C ATOM 564 O ILE A 36 10.770 7.544 -11.794 1.00 0.00 O ATOM 565 CB ILE A 36 9.225 9.673 -10.341 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.818 10.424 -9.062 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.811 10.489 -11.591 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.754 11.617 -8.819 1.00 0.00 C ATOM 0 H ILE A 36 10.028 7.085 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 36 7.702 8.223 -10.681 1.00 0.00 H new ATOM 0 HB ILE A 36 10.303 9.586 -10.206 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.789 10.773 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.853 9.747 -8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.121 11.527 -11.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.292 10.070 -12.475 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.729 10.445 -11.712 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.452 12.137 -7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.778 11.260 -8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.698 12.302 -9.665 1.00 0.00 H new ATOM 580 N CYS A 37 8.738 7.459 -12.770 1.00 0.00 N ATOM 581 CA CYS A 37 9.016 7.057 -14.135 1.00 0.00 C ATOM 582 C CYS A 37 8.655 8.183 -15.111 1.00 0.00 C ATOM 583 O CYS A 37 8.185 9.256 -14.725 1.00 0.00 O ATOM 584 CB CYS A 37 8.215 5.779 -14.377 1.00 0.00 C ATOM 585 SG CYS A 37 9.205 4.355 -13.833 1.00 0.00 S ATOM 0 H CYS A 37 7.734 7.590 -12.645 1.00 0.00 H new ATOM 0 HA CYS A 37 10.076 6.862 -14.298 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.273 5.815 -13.830 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.966 5.684 -15.434 1.00 0.00 H new ATOM 0 HG CYS A 37 9.184 4.282 -12.535 1.00 0.00 H new ATOM 591 N GLY A 38 8.937 7.983 -16.390 1.00 0.00 N ATOM 592 CA GLY A 38 8.661 8.948 -17.449 1.00 0.00 C ATOM 593 C GLY A 38 8.581 8.248 -18.795 1.00 0.00 C ATOM 594 O GLY A 38 9.374 7.351 -19.063 1.00 0.00 O ATOM 0 H GLY A 38 9.374 7.126 -16.730 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.723 9.464 -17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.444 9.706 -17.472 1.00 0.00 H new ATOM 598 N GLU A 39 7.625 8.648 -19.623 1.00 0.00 N ATOM 599 CA GLU A 39 7.061 7.821 -20.683 1.00 0.00 C ATOM 600 C GLU A 39 7.109 8.626 -21.985 1.00 0.00 C ATOM 601 O GLU A 39 6.183 9.347 -22.361 1.00 0.00 O ATOM 602 CB GLU A 39 5.635 7.412 -20.302 1.00 0.00 C ATOM 603 CG GLU A 39 5.450 6.754 -18.916 1.00 0.00 C ATOM 604 CD GLU A 39 6.119 5.380 -18.703 1.00 0.00 C ATOM 605 OE1 GLU A 39 6.689 4.819 -19.658 1.00 0.00 O ATOM 606 OE2 GLU A 39 6.029 4.862 -17.558 1.00 0.00 O ATOM 0 H GLU A 39 7.210 9.579 -19.576 1.00 0.00 H new ATOM 0 HA GLU A 39 7.631 6.903 -20.823 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.003 8.299 -20.345 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.265 6.721 -21.059 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.834 7.440 -18.161 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.381 6.644 -18.732 1.00 0.00 H new ATOM 702 N PHE A 47 3.689 17.899 -24.645 1.00 0.00 N ATOM 703 CA PHE A 47 2.901 17.670 -23.430 1.00 0.00 C ATOM 704 C PHE A 47 3.797 17.095 -22.316 1.00 0.00 C ATOM 705 O PHE A 47 4.039 15.896 -22.268 1.00 0.00 O ATOM 706 CB PHE A 47 1.719 16.733 -23.742 1.00 0.00 C ATOM 707 CG PHE A 47 0.538 17.288 -24.529 1.00 0.00 C ATOM 708 CD1 PHE A 47 0.546 18.568 -25.126 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.608 16.480 -24.657 1.00 0.00 C ATOM 710 CE1 PHE A 47 -0.577 19.021 -25.844 1.00 0.00 C ATOM 711 CE2 PHE A 47 -1.725 16.928 -25.385 1.00 0.00 C ATOM 712 CZ PHE A 47 -1.709 18.199 -25.982 1.00 0.00 C ATOM 0 HA PHE A 47 2.497 18.618 -23.076 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.111 15.877 -24.292 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.337 16.355 -22.794 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.416 19.201 -25.031 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.630 15.506 -24.191 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.569 20.004 -26.291 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.594 16.295 -25.485 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.564 18.544 -26.545 1.00 0.00 H new ATOM 722 N PHE A 48 4.336 17.971 -21.461 1.00 0.00 N ATOM 723 CA PHE A 48 5.030 17.627 -20.215 1.00 0.00 C ATOM 724 C PHE A 48 3.974 17.439 -19.118 1.00 0.00 C ATOM 725 O PHE A 48 3.546 18.440 -18.530 1.00 0.00 O ATOM 726 CB PHE A 48 6.060 18.722 -19.842 1.00 0.00 C ATOM 727 CG PHE A 48 7.115 18.291 -18.829 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.757 17.967 -17.505 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.477 18.254 -19.188 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.736 17.591 -16.569 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.457 17.857 -18.263 1.00 0.00 C ATOM 732 CZ PHE A 48 9.088 17.526 -16.949 1.00 0.00 C ATOM 0 H PHE A 48 4.299 18.977 -21.624 1.00 0.00 H new ATOM 0 HA PHE A 48 5.592 16.701 -20.336 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.563 19.052 -20.751 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.525 19.584 -19.443 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.720 18.008 -17.206 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.772 18.535 -20.188 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.449 17.352 -15.556 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.493 17.806 -18.562 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.839 17.223 -16.234 1.00 0.00 H new ATOM 742 N GLU A 49 3.484 16.223 -18.861 1.00 0.00 N ATOM 743 CA GLU A 49 2.376 16.002 -17.931 1.00 0.00 C ATOM 744 C GLU A 49 2.693 14.943 -16.860 1.00 0.00 C ATOM 745 O GLU A 49 3.073 13.819 -17.186 1.00 0.00 O ATOM 746 CB GLU A 49 1.125 15.656 -18.740 1.00 0.00 C ATOM 747 CG GLU A 49 0.699 16.778 -19.699 1.00 0.00 C ATOM 748 CD GLU A 49 -0.764 16.680 -20.149 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.652 17.266 -19.476 1.00 0.00 O ATOM 750 OE2 GLU A 49 -1.038 16.175 -21.259 1.00 0.00 O ATOM 0 H GLU A 49 3.842 15.370 -19.289 1.00 0.00 H new ATOM 0 HA GLU A 49 2.202 16.919 -17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.310 14.747 -19.313 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.305 15.440 -18.055 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.857 17.740 -19.212 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.343 16.757 -20.578 1.00 0.00 H new ATOM 757 N VAL A 50 2.548 15.303 -15.573 1.00 0.00 N ATOM 758 CA VAL A 50 2.947 14.465 -14.418 1.00 0.00 C ATOM 759 C VAL A 50 1.715 13.851 -13.765 1.00 0.00 C ATOM 760 O VAL A 50 0.767 14.571 -13.444 1.00 0.00 O ATOM 761 CB VAL A 50 3.715 15.268 -13.347 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.162 14.394 -12.165 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.969 15.955 -13.908 1.00 0.00 C ATOM 0 H VAL A 50 2.144 16.198 -15.297 1.00 0.00 H new ATOM 0 HA VAL A 50 3.606 13.689 -14.808 1.00 0.00 H new ATOM 0 HB VAL A 50 3.002 16.019 -13.008 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.698 15.008 -11.441 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.287 13.951 -11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.819 13.602 -12.526 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.470 16.505 -13.111 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.647 15.202 -14.311 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.682 16.646 -14.701 1.00 0.00 H new ATOM 773 N THR A 51 1.732 12.541 -13.526 1.00 0.00 N ATOM 774 CA THR A 51 0.600 11.768 -13.005 1.00 0.00 C ATOM 775 C THR A 51 1.027 10.854 -11.853 1.00 0.00 C ATOM 776 O THR A 51 1.878 9.994 -12.054 1.00 0.00 O ATOM 777 CB THR A 51 -0.016 10.871 -14.097 1.00 0.00 C ATOM 778 OG1 THR A 51 0.467 11.128 -15.398 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.529 11.013 -14.167 1.00 0.00 C ATOM 0 H THR A 51 2.559 11.968 -13.694 1.00 0.00 H new ATOM 0 HA THR A 51 -0.130 12.498 -12.656 1.00 0.00 H new ATOM 0 HB THR A 51 0.280 9.867 -13.793 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.033 10.521 -16.034 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.920 10.363 -14.950 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.966 10.730 -13.209 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.787 12.048 -14.392 1.00 0.00 H new ATOM 787 N VAL A 52 0.433 10.968 -10.662 1.00 0.00 N ATOM 788 CA VAL A 52 0.663 10.082 -9.500 1.00 0.00 C ATOM 789 C VAL A 52 -0.535 9.168 -9.291 1.00 0.00 C ATOM 790 O VAL A 52 -1.665 9.634 -9.181 1.00 0.00 O ATOM 791 CB VAL A 52 1.020 10.863 -8.218 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.098 11.782 -7.713 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.395 9.908 -7.073 1.00 0.00 C ATOM 0 H VAL A 52 -0.246 11.703 -10.466 1.00 0.00 H new ATOM 0 HA VAL A 52 1.533 9.465 -9.723 1.00 0.00 H new ATOM 0 HB VAL A 52 1.867 11.486 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.232 12.294 -6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.338 12.518 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.984 11.188 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.642 10.487 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.553 9.251 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.257 9.309 -7.367 1.00 0.00 H new ATOM 803 N ALA A 53 -0.304 7.857 -9.326 1.00 0.00 N ATOM 804 CA ALA A 53 -1.311 6.793 -9.220 1.00 0.00 C ATOM 805 C ALA A 53 -2.594 7.027 -10.060 1.00 0.00 C ATOM 806 O ALA A 53 -3.687 6.623 -9.670 1.00 0.00 O ATOM 807 CB ALA A 53 -1.591 6.552 -7.731 1.00 0.00 C ATOM 0 H ALA A 53 0.639 7.485 -9.435 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.903 5.888 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.337 5.765 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.670 6.250 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.965 7.470 -7.278 1.00 0.00 H new ATOM 813 N GLY A 54 -2.486 7.723 -11.202 1.00 0.00 N ATOM 814 CA GLY A 54 -3.627 8.085 -12.058 1.00 0.00 C ATOM 815 C GLY A 54 -4.270 9.452 -11.767 1.00 0.00 C ATOM 816 O GLY A 54 -5.428 9.674 -12.114 1.00 0.00 O ATOM 0 H GLY A 54 -1.591 8.055 -11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.297 8.073 -13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.392 7.315 -11.958 1.00 0.00 H new ATOM 820 N LYS A 55 -3.543 10.384 -11.140 1.00 0.00 N ATOM 821 CA LYS A 55 -3.959 11.764 -10.827 1.00 0.00 C ATOM 822 C LYS A 55 -2.970 12.768 -11.419 1.00 0.00 C ATOM 823 O LYS A 55 -1.795 12.735 -11.063 1.00 0.00 O ATOM 824 CB LYS A 55 -4.077 11.960 -9.312 1.00 0.00 C ATOM 825 CG LYS A 55 -4.957 10.942 -8.570 1.00 0.00 C ATOM 826 CD LYS A 55 -6.429 11.002 -9.001 1.00 0.00 C ATOM 827 CE LYS A 55 -7.220 9.909 -8.278 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.618 9.843 -8.769 1.00 0.00 N ATOM 0 H LYS A 55 -2.595 10.189 -10.818 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.938 11.937 -11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.076 11.927 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.472 12.958 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.572 9.938 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.890 11.124 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.847 11.982 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.508 10.869 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.734 8.945 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.218 10.104 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.129 9.093 -8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.088 10.756 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.619 9.633 -9.788 1.00 0.00 H new ATOM 842 N LEU A 56 -3.406 13.611 -12.357 1.00 0.00 N ATOM 843 CA LEU A 56 -2.588 14.704 -12.898 1.00 0.00 C ATOM 844 C LEU A 56 -2.265 15.724 -11.810 1.00 0.00 C ATOM 845 O LEU A 56 -3.156 16.228 -11.132 1.00 0.00 O ATOM 846 CB LEU A 56 -3.288 15.315 -14.120 1.00 0.00 C ATOM 847 CG LEU A 56 -2.620 16.537 -14.787 1.00 0.00 C ATOM 848 CD1 LEU A 56 -3.135 16.638 -16.226 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.937 17.878 -14.116 1.00 0.00 C ATOM 0 H LEU A 56 -4.339 13.557 -12.766 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.628 14.318 -13.240 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.391 14.535 -14.874 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.296 15.604 -13.821 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.545 16.372 -14.710 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.676 17.496 -16.717 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.878 15.728 -16.769 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.218 16.762 -16.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.427 18.681 -14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.013 18.052 -14.141 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.597 17.856 -13.081 1.00 0.00 H new ATOM 861 N VAL A 57 -0.973 16.011 -11.680 1.00 0.00 N ATOM 862 CA VAL A 57 -0.407 16.960 -10.702 1.00 0.00 C ATOM 863 C VAL A 57 0.258 18.147 -11.398 1.00 0.00 C ATOM 864 O VAL A 57 0.384 19.226 -10.829 1.00 0.00 O ATOM 865 CB VAL A 57 0.615 16.279 -9.764 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.651 16.997 -8.409 1.00 0.00 C ATOM 867 CG2 VAL A 57 0.315 14.802 -9.475 1.00 0.00 C ATOM 0 H VAL A 57 -0.260 15.580 -12.268 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.243 17.320 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 57 1.565 16.340 -10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.375 16.508 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.940 18.038 -8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.337 16.957 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.079 14.399 -8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.662 14.715 -9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.315 14.241 -10.410 1.00 0.00 H new ATOM 877 N HIS A 58 0.657 17.945 -12.656 1.00 0.00 N ATOM 878 CA HIS A 58 1.271 18.960 -13.501 1.00 0.00 C ATOM 879 C HIS A 58 0.886 18.792 -14.966 1.00 0.00 C ATOM 880 O HIS A 58 0.654 17.678 -15.440 1.00 0.00 O ATOM 881 CB HIS A 58 2.780 18.802 -13.390 1.00 0.00 C ATOM 882 CG HIS A 58 3.569 19.947 -13.965 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.428 21.275 -13.649 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.510 19.855 -14.956 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.288 21.959 -14.409 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.963 21.148 -15.243 1.00 0.00 N ATOM 0 H HIS A 58 0.557 17.044 -13.124 1.00 0.00 H new ATOM 0 HA HIS A 58 0.929 19.940 -13.169 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.045 18.686 -12.339 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.075 17.883 -13.896 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.785 21.667 -12.961 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.844 18.945 -15.432 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.424 23.029 -14.360 1.00 0.00 H new ATOM 894 N SER A 59 0.919 19.894 -15.710 1.00 0.00 N ATOM 895 CA SER A 59 0.745 19.896 -17.155 1.00 0.00 C ATOM 896 C SER A 59 1.248 21.170 -17.825 1.00 0.00 C ATOM 897 O SER A 59 0.745 22.274 -17.562 1.00 0.00 O ATOM 898 CB SER A 59 -0.740 19.848 -17.454 1.00 0.00 C ATOM 899 OG SER A 59 -0.988 19.645 -18.832 1.00 0.00 O ATOM 0 H SER A 59 1.070 20.823 -15.318 1.00 0.00 H new ATOM 0 HA SER A 59 1.309 19.043 -17.533 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.202 19.046 -16.879 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.207 20.779 -17.133 1.00 0.00 H new ATOM 0 HG SER A 59 -1.592 18.882 -18.947 1.00 0.00 H new ATOM 905 N LYS A 60 2.135 21.043 -18.812 1.00 0.00 N ATOM 906 CA LYS A 60 2.384 22.156 -19.729 1.00 0.00 C ATOM 907 C LYS A 60 1.216 22.478 -20.668 1.00 0.00 C ATOM 908 O LYS A 60 1.174 23.622 -21.114 1.00 0.00 O ATOM 909 CB LYS A 60 3.700 21.921 -20.489 1.00 0.00 C ATOM 910 CG LYS A 60 4.873 22.673 -19.835 1.00 0.00 C ATOM 911 CD LYS A 60 5.067 24.113 -20.351 1.00 0.00 C ATOM 912 CE LYS A 60 3.866 25.053 -20.138 1.00 0.00 C ATOM 913 NZ LYS A 60 4.056 26.402 -20.735 1.00 0.00 N ATOM 0 H LYS A 60 2.682 20.202 -18.995 1.00 0.00 H new ATOM 0 HA LYS A 60 2.481 23.053 -19.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.920 20.854 -20.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.588 22.249 -21.522 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.714 22.704 -18.757 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.791 22.111 -20.006 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.938 24.545 -19.857 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.292 24.073 -21.417 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.976 24.596 -20.569 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.683 25.160 -19.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.212 26.983 -20.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.887 26.857 -20.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.201 26.310 -21.761 1.00 0.00 H new ATOM 927 N LYS A 61 0.248 21.579 -20.907 1.00 0.00 N ATOM 928 CA LYS A 61 -0.950 21.894 -21.721 1.00 0.00 C ATOM 929 C LYS A 61 -2.173 22.400 -20.940 1.00 0.00 C ATOM 930 O LYS A 61 -2.983 23.111 -21.517 1.00 0.00 O ATOM 931 CB LYS A 61 -1.260 20.778 -22.739 1.00 0.00 C ATOM 932 CG LYS A 61 -1.802 19.432 -22.230 1.00 0.00 C ATOM 933 CD LYS A 61 -3.259 19.477 -21.730 1.00 0.00 C ATOM 934 CE LYS A 61 -4.067 18.212 -22.070 1.00 0.00 C ATOM 935 NZ LYS A 61 -3.525 16.993 -21.428 1.00 0.00 N ATOM 0 H LYS A 61 0.267 20.624 -20.549 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.676 22.777 -22.299 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.983 21.175 -23.452 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.344 20.575 -23.293 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.729 18.699 -23.033 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.164 19.081 -21.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.259 19.618 -20.649 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.757 20.344 -22.165 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.101 18.352 -21.757 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.078 18.073 -23.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.266 16.265 -21.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.721 16.636 -21.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.207 17.220 -20.464 1.00 0.00 H new ATOM 949 N ARG A 62 -2.292 22.134 -19.631 1.00 0.00 N ATOM 950 CA ARG A 62 -3.329 22.742 -18.765 1.00 0.00 C ATOM 951 C ARG A 62 -3.035 24.195 -18.378 1.00 0.00 C ATOM 952 O ARG A 62 -3.918 24.909 -17.907 1.00 0.00 O ATOM 953 CB ARG A 62 -3.586 21.833 -17.548 1.00 0.00 C ATOM 954 CG ARG A 62 -2.856 22.181 -16.239 1.00 0.00 C ATOM 955 CD ARG A 62 -3.635 23.117 -15.326 1.00 0.00 C ATOM 956 NE ARG A 62 -2.712 24.034 -14.647 1.00 0.00 N ATOM 957 CZ ARG A 62 -2.846 25.334 -14.491 1.00 0.00 C ATOM 958 NH1 ARG A 62 -3.633 26.058 -15.240 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.151 25.930 -13.573 1.00 0.00 N ATOM 0 H ARG A 62 -1.674 21.491 -19.136 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.249 22.808 -19.346 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.657 21.834 -17.347 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.314 20.814 -17.825 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.641 21.259 -15.699 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.897 22.640 -16.481 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.363 23.684 -15.907 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.195 22.539 -14.590 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.870 23.616 -14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.176 25.618 -15.983 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.705 27.063 -15.082 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.513 25.392 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.242 26.937 -13.438 1.00 0.00 H new ATOM 973 N GLY A 63 -1.777 24.610 -18.528 1.00 0.00 N ATOM 974 CA GLY A 63 -1.330 25.977 -18.287 1.00 0.00 C ATOM 975 C GLY A 63 -0.482 26.126 -17.038 1.00 0.00 C ATOM 976 O GLY A 63 -0.393 27.226 -16.508 1.00 0.00 O ATOM 0 H GLY A 63 -1.025 23.989 -18.827 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.757 26.321 -19.148 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.202 26.626 -18.204 1.00 0.00 H new ATOM 980 N ASP A 64 0.115 25.033 -16.552 1.00 0.00 N ATOM 981 CA ASP A 64 0.781 25.066 -15.251 1.00 0.00 C ATOM 982 C ASP A 64 2.145 25.768 -15.305 1.00 0.00 C ATOM 983 O ASP A 64 2.429 26.675 -14.524 1.00 0.00 O ATOM 984 CB ASP A 64 0.866 23.624 -14.732 1.00 0.00 C ATOM 985 CG ASP A 64 0.703 23.575 -13.222 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.383 24.029 -12.785 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.621 23.039 -12.571 1.00 0.00 O ATOM 0 H ASP A 64 0.150 24.133 -17.030 1.00 0.00 H new ATOM 0 HA ASP A 64 0.199 25.667 -14.552 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.093 23.018 -15.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.826 23.190 -15.011 1.00 0.00 H new ATOM 992 N GLY A 65 2.971 25.363 -16.280 1.00 0.00 N ATOM 993 CA GLY A 65 4.386 25.740 -16.394 1.00 0.00 C ATOM 994 C GLY A 65 5.267 25.304 -15.215 1.00 0.00 C ATOM 995 O GLY A 65 4.835 25.219 -14.068 1.00 0.00 O ATOM 0 H GLY A 65 2.664 24.746 -17.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.790 25.308 -17.310 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.451 26.823 -16.497 1.00 0.00 H new ATOM 999 N TYR A 66 6.535 25.028 -15.518 1.00 0.00 N ATOM 1000 CA TYR A 66 7.517 24.527 -14.556 1.00 0.00 C ATOM 1001 C TYR A 66 7.709 25.435 -13.332 1.00 0.00 C ATOM 1002 O TYR A 66 7.154 26.528 -13.240 1.00 0.00 O ATOM 1003 CB TYR A 66 8.867 24.325 -15.254 1.00 0.00 C ATOM 1004 CG TYR A 66 8.833 23.581 -16.571 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.313 22.274 -16.609 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.341 24.174 -17.743 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.300 21.557 -17.815 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.324 23.454 -18.955 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.799 22.145 -18.995 1.00 0.00 C ATOM 1010 OH TYR A 66 8.830 21.447 -20.156 1.00 0.00 O ATOM 0 H TYR A 66 6.916 25.149 -16.456 1.00 0.00 H new ATOM 0 HA TYR A 66 7.123 23.582 -14.183 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.314 25.304 -15.425 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.527 23.787 -14.574 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.923 21.822 -15.709 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.742 25.176 -17.713 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.906 20.552 -17.839 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.714 23.906 -19.855 1.00 0.00 H new ATOM 0 HH TYR A 66 8.751 20.489 -19.964 1.00 0.00 H new ATOM 1020 N VAL A 67 8.546 24.977 -12.403 1.00 0.00 N ATOM 1021 CA VAL A 67 8.881 25.688 -11.167 1.00 0.00 C ATOM 1022 C VAL A 67 9.589 27.018 -11.444 1.00 0.00 C ATOM 1023 O VAL A 67 10.786 27.089 -11.696 1.00 0.00 O ATOM 1024 CB VAL A 67 9.629 24.811 -10.150 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.709 23.658 -9.718 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.941 24.172 -10.642 1.00 0.00 C ATOM 0 H VAL A 67 9.023 24.079 -12.489 1.00 0.00 H new ATOM 0 HA VAL A 67 7.933 25.935 -10.689 1.00 0.00 H new ATOM 0 HB VAL A 67 9.897 25.495 -9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.229 23.028 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.806 24.064 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.438 23.062 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.379 23.577 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.734 23.531 -11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.640 24.956 -10.936 1.00 0.00 H new ATOM 1036 N ASP A 68 8.793 28.076 -11.415 1.00 0.00 N ATOM 1037 CA ASP A 68 9.224 29.462 -11.248 1.00 0.00 C ATOM 1038 C ASP A 68 9.723 29.727 -9.828 1.00 0.00 C ATOM 1039 O ASP A 68 10.619 30.542 -9.622 1.00 0.00 O ATOM 1040 CB ASP A 68 8.045 30.393 -11.568 1.00 0.00 C ATOM 1041 CG ASP A 68 6.684 29.924 -11.040 1.00 0.00 C ATOM 1042 OD1 ASP A 68 6.613 29.437 -9.882 1.00 0.00 O ATOM 1043 OD2 ASP A 68 5.724 29.914 -11.841 1.00 0.00 O ATOM 0 H ASP A 68 7.781 27.991 -11.511 1.00 0.00 H new ATOM 0 HA ASP A 68 10.052 29.652 -11.931 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.258 31.379 -11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.977 30.509 -12.650 1.00 0.00 H new ATOM 1048 N THR A 69 9.139 29.042 -8.842 1.00 0.00 N ATOM 1049 CA THR A 69 9.341 29.307 -7.438 1.00 0.00 C ATOM 1050 C THR A 69 9.476 28.021 -6.638 1.00 0.00 C ATOM 1051 O THR A 69 8.842 27.002 -6.923 1.00 0.00 O ATOM 1052 CB THR A 69 8.141 30.098 -6.907 1.00 0.00 C ATOM 1053 OG1 THR A 69 6.909 29.466 -7.167 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.058 31.532 -7.424 1.00 0.00 C ATOM 0 H THR A 69 8.497 28.269 -9.016 1.00 0.00 H new ATOM 0 HA THR A 69 10.265 29.875 -7.327 1.00 0.00 H new ATOM 0 HB THR A 69 8.321 30.130 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.734 29.475 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.181 32.021 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.955 32.077 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.979 31.523 -8.511 1.00 0.00 H new ATOM 1062 N GLU A 70 10.212 28.125 -5.535 1.00 0.00 N ATOM 1063 CA GLU A 70 10.239 27.122 -4.464 1.00 0.00 C ATOM 1064 C GLU A 70 8.835 26.773 -3.977 1.00 0.00 C ATOM 1065 O GLU A 70 8.490 25.611 -3.800 1.00 0.00 O ATOM 1066 CB GLU A 70 11.076 27.674 -3.292 1.00 0.00 C ATOM 1067 CG GLU A 70 12.456 27.024 -3.197 1.00 0.00 C ATOM 1068 CD GLU A 70 12.311 25.615 -2.614 1.00 0.00 C ATOM 1069 OE1 GLU A 70 12.035 25.538 -1.396 1.00 0.00 O ATOM 1070 OE2 GLU A 70 12.393 24.647 -3.402 1.00 0.00 O ATOM 0 H GLU A 70 10.820 28.923 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 70 10.684 26.208 -4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.193 28.751 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.537 27.512 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.917 26.976 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.112 27.625 -2.567 1.00 0.00 H new ATOM 1077 N SER A 71 7.979 27.782 -3.831 1.00 0.00 N ATOM 1078 CA SER A 71 6.586 27.577 -3.427 1.00 0.00 C ATOM 1079 C SER A 71 5.797 26.711 -4.411 1.00 0.00 C ATOM 1080 O SER A 71 4.974 25.901 -3.974 1.00 0.00 O ATOM 1081 CB SER A 71 5.885 28.922 -3.255 1.00 0.00 C ATOM 1082 OG SER A 71 4.907 28.832 -2.236 1.00 0.00 O ATOM 0 H SER A 71 8.227 28.759 -3.988 1.00 0.00 H new ATOM 0 HA SER A 71 6.614 27.041 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.614 29.692 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.418 29.220 -4.193 1.00 0.00 H new ATOM 0 HG SER A 71 4.463 29.699 -2.131 1.00 0.00 H new ATOM 1088 N LYS A 72 6.069 26.832 -5.721 1.00 0.00 N ATOM 1089 CA LYS A 72 5.464 25.948 -6.727 1.00 0.00 C ATOM 1090 C LYS A 72 5.916 24.512 -6.511 1.00 0.00 C ATOM 1091 O LYS A 72 5.084 23.614 -6.397 1.00 0.00 O ATOM 1092 CB LYS A 72 5.657 26.415 -8.180 1.00 0.00 C ATOM 1093 CG LYS A 72 4.944 25.440 -9.158 1.00 0.00 C ATOM 1094 CD LYS A 72 4.196 26.051 -10.353 1.00 0.00 C ATOM 1095 CE LYS A 72 5.017 27.142 -11.023 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.510 27.532 -12.354 1.00 0.00 N ATOM 0 H LYS A 72 6.703 27.532 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 72 4.386 25.998 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.256 27.421 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.720 26.464 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.691 24.749 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.232 24.848 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.966 25.270 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.245 26.464 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.033 28.021 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.047 26.800 -11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.837 28.493 -12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.866 26.866 -13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.470 27.512 -12.349 1.00 0.00 H new ATOM 1110 N PHE A 73 7.226 24.314 -6.390 1.00 0.00 N ATOM 1111 CA PHE A 73 7.788 22.985 -6.123 1.00 0.00 C ATOM 1112 C PHE A 73 7.201 22.355 -4.843 1.00 0.00 C ATOM 1113 O PHE A 73 6.650 21.251 -4.849 1.00 0.00 O ATOM 1114 CB PHE A 73 9.321 23.075 -6.050 1.00 0.00 C ATOM 1115 CG PHE A 73 9.978 21.748 -5.730 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.602 20.580 -6.424 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.904 21.666 -4.675 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.106 19.332 -6.024 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.418 20.421 -4.286 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.002 19.252 -4.946 1.00 0.00 C ATOM 0 H PHE A 73 7.922 25.055 -6.472 1.00 0.00 H new ATOM 0 HA PHE A 73 7.511 22.327 -6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.703 23.443 -7.002 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.601 23.805 -5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.926 20.645 -7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.220 22.563 -4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.805 18.435 -6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.134 20.360 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.372 18.290 -4.623 1.00 0.00 H new ATOM 1130 N ARG A 74 7.261 23.105 -3.743 1.00 0.00 N ATOM 1131 CA ARG A 74 6.836 22.752 -2.385 1.00 0.00 C ATOM 1132 C ARG A 74 5.358 22.396 -2.273 1.00 0.00 C ATOM 1133 O ARG A 74 4.996 21.576 -1.430 1.00 0.00 O ATOM 1134 CB ARG A 74 7.232 23.920 -1.462 1.00 0.00 C ATOM 1135 CG ARG A 74 7.139 23.616 0.040 1.00 0.00 C ATOM 1136 CD ARG A 74 5.817 24.118 0.636 1.00 0.00 C ATOM 1137 NE ARG A 74 5.793 24.014 2.106 1.00 0.00 N ATOM 1138 CZ ARG A 74 6.338 24.864 2.961 1.00 0.00 C ATOM 1139 NH1 ARG A 74 7.087 25.868 2.589 1.00 0.00 N ATOM 1140 NH2 ARG A 74 6.123 24.728 4.236 1.00 0.00 N ATOM 0 H ARG A 74 7.638 24.052 -3.780 1.00 0.00 H new ATOM 0 HA ARG A 74 7.342 21.836 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.254 24.218 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.592 24.774 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.227 22.541 0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.975 24.085 0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.660 25.157 0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.991 23.542 0.219 1.00 0.00 H new ATOM 0 HE ARG A 74 5.309 23.208 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.275 26.025 1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.484 26.495 3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.535 23.967 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.542 25.382 4.897 1.00 0.00 H new ATOM 1154 N LYS A 75 4.506 22.960 -3.136 1.00 0.00 N ATOM 1155 CA LYS A 75 3.105 22.579 -3.330 1.00 0.00 C ATOM 1156 C LYS A 75 2.983 21.092 -3.639 1.00 0.00 C ATOM 1157 O LYS A 75 2.184 20.389 -3.026 1.00 0.00 O ATOM 1158 CB LYS A 75 2.522 23.411 -4.493 1.00 0.00 C ATOM 1159 CG LYS A 75 0.996 23.529 -4.445 1.00 0.00 C ATOM 1160 CD LYS A 75 0.591 24.548 -3.379 1.00 0.00 C ATOM 1161 CE LYS A 75 -0.933 24.710 -3.370 1.00 0.00 C ATOM 1162 NZ LYS A 75 -1.376 25.668 -2.325 1.00 0.00 N ATOM 0 H LYS A 75 4.788 23.728 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 75 2.550 22.776 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.958 24.410 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.815 22.956 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.615 23.836 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.553 22.558 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.937 24.220 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.067 25.508 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.268 25.057 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.401 23.741 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.412 25.752 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.078 25.324 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.949 26.599 -2.504 1.00 0.00 H new ATOM 1176 N LEU A 76 3.819 20.639 -4.567 1.00 0.00 N ATOM 1177 CA LEU A 76 3.835 19.271 -5.079 1.00 0.00 C ATOM 1178 C LEU A 76 4.493 18.328 -4.081 1.00 0.00 C ATOM 1179 O LEU A 76 3.932 17.288 -3.750 1.00 0.00 O ATOM 1180 CB LEU A 76 4.515 19.275 -6.469 1.00 0.00 C ATOM 1181 CG LEU A 76 4.030 18.154 -7.408 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.049 18.596 -8.872 1.00 0.00 C ATOM 1183 CD2 LEU A 76 4.913 16.913 -7.301 1.00 0.00 C ATOM 0 H LEU A 76 4.528 21.232 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 76 2.820 18.894 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.336 20.238 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.593 19.182 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 76 3.011 17.925 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.700 17.779 -9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.395 19.458 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.066 18.867 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.542 16.143 -7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.937 17.171 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.892 16.538 -6.278 1.00 0.00 H new ATOM 1195 N VAL A 77 5.607 18.768 -3.499 1.00 0.00 N ATOM 1196 CA VAL A 77 6.262 18.049 -2.394 1.00 0.00 C ATOM 1197 C VAL A 77 5.286 17.795 -1.254 1.00 0.00 C ATOM 1198 O VAL A 77 5.129 16.660 -0.813 1.00 0.00 O ATOM 1199 CB VAL A 77 7.504 18.798 -1.874 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.166 18.090 -0.691 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.563 18.930 -2.964 1.00 0.00 C ATOM 0 H VAL A 77 6.083 19.627 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 77 6.594 17.090 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 77 7.140 19.776 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.035 18.661 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.454 18.012 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.481 17.091 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.428 19.463 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.869 17.938 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.150 19.484 -3.807 1.00 0.00 H new ATOM 1211 N THR A 78 4.560 18.828 -0.823 1.00 0.00 N ATOM 1212 CA THR A 78 3.607 18.711 0.280 1.00 0.00 C ATOM 1213 C THR A 78 2.467 17.764 -0.057 1.00 0.00 C ATOM 1214 O THR A 78 2.048 16.972 0.789 1.00 0.00 O ATOM 1215 CB THR A 78 3.063 20.084 0.715 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.118 20.970 1.027 1.00 0.00 O ATOM 1217 CG2 THR A 78 2.196 20.016 1.970 1.00 0.00 C ATOM 0 H THR A 78 4.616 19.763 -1.226 1.00 0.00 H new ATOM 0 HA THR A 78 4.155 18.288 1.122 1.00 0.00 H new ATOM 0 HB THR A 78 2.470 20.428 -0.132 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.632 21.165 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.844 21.016 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.341 19.366 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.784 19.618 2.797 1.00 0.00 H new ATOM 1225 N ALA A 79 2.011 17.779 -1.309 1.00 0.00 N ATOM 1226 CA ALA A 79 0.885 16.942 -1.705 1.00 0.00 C ATOM 1227 C ALA A 79 1.270 15.476 -1.885 1.00 0.00 C ATOM 1228 O ALA A 79 0.495 14.572 -1.573 1.00 0.00 O ATOM 1229 CB ALA A 79 0.247 17.530 -2.968 1.00 0.00 C ATOM 0 H ALA A 79 2.400 18.354 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 79 0.153 16.945 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.597 16.910 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.102 18.542 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.985 17.557 -3.770 1.00 0.00 H new ATOM 1235 N ILE A 80 2.506 15.248 -2.313 1.00 0.00 N ATOM 1236 CA ILE A 80 3.059 13.911 -2.472 1.00 0.00 C ATOM 1237 C ILE A 80 3.464 13.370 -1.100 1.00 0.00 C ATOM 1238 O ILE A 80 3.281 12.184 -0.865 1.00 0.00 O ATOM 1239 CB ILE A 80 4.195 13.922 -3.514 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.669 14.289 -4.926 1.00 0.00 C ATOM 1241 CG2 ILE A 80 4.933 12.579 -3.575 1.00 0.00 C ATOM 1242 CD1 ILE A 80 2.775 13.255 -5.624 1.00 0.00 C ATOM 0 H ILE A 80 3.157 15.993 -2.561 1.00 0.00 H new ATOM 0 HA ILE A 80 2.312 13.224 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 80 4.900 14.687 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.111 15.222 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.528 14.483 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.725 12.633 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.368 12.358 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.231 11.790 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.476 13.633 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.326 12.323 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.887 13.073 -5.018 1.00 0.00 H new ATOM 1254 N LYS A 81 3.868 14.222 -0.145 1.00 0.00 N ATOM 1255 CA LYS A 81 4.171 13.823 1.244 1.00 0.00 C ATOM 1256 C LYS A 81 2.924 13.311 1.948 1.00 0.00 C ATOM 1257 O LYS A 81 2.945 12.277 2.612 1.00 0.00 O ATOM 1258 CB LYS A 81 4.759 15.020 2.008 1.00 0.00 C ATOM 1259 CG LYS A 81 5.377 14.637 3.368 1.00 0.00 C ATOM 1260 CD LYS A 81 6.324 15.726 3.904 1.00 0.00 C ATOM 1261 CE LYS A 81 7.600 15.901 3.063 1.00 0.00 C ATOM 1262 NZ LYS A 81 8.769 15.129 3.553 1.00 0.00 N ATOM 0 H LYS A 81 3.996 15.220 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 81 4.901 13.014 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.522 15.495 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.974 15.759 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.580 14.463 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.925 13.700 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.789 16.675 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.605 15.480 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.387 15.602 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.863 16.959 3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.635 15.487 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.847 15.234 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.645 14.124 3.316 1.00 0.00 H new ATOM 1276 N ALA A 82 1.834 14.043 1.751 1.00 0.00 N ATOM 1277 CA ALA A 82 0.502 13.679 2.218 1.00 0.00 C ATOM 1278 C ALA A 82 0.026 12.372 1.568 1.00 0.00 C ATOM 1279 O ALA A 82 -0.334 11.432 2.272 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.459 14.848 1.964 1.00 0.00 C ATOM 0 H ALA A 82 1.853 14.930 1.248 1.00 0.00 H new ATOM 0 HA ALA A 82 0.529 13.490 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.457 14.581 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.111 15.729 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.493 15.066 0.897 1.00 0.00 H new ATOM 1286 N ALA A 83 0.093 12.277 0.235 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.273 11.066 -0.499 1.00 0.00 C ATOM 1288 C ALA A 83 0.552 9.841 -0.085 1.00 0.00 C ATOM 1289 O ALA A 83 0.032 8.730 0.001 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.162 11.332 -2.006 1.00 0.00 C ATOM 0 H ALA A 83 0.404 13.042 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.305 10.823 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.434 10.431 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.835 12.143 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.863 11.611 -2.252 1.00 0.00 H new ATOM 1296 N LEU A 84 1.828 10.066 0.227 1.00 0.00 N ATOM 1297 CA LEU A 84 2.760 9.040 0.689 1.00 0.00 C ATOM 1298 C LEU A 84 2.328 8.480 2.038 1.00 0.00 C ATOM 1299 O LEU A 84 2.094 7.279 2.166 1.00 0.00 O ATOM 1300 CB LEU A 84 4.184 9.629 0.730 1.00 0.00 C ATOM 1301 CG LEU A 84 5.347 8.647 0.791 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.566 8.053 2.178 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.168 7.570 -0.278 1.00 0.00 C ATOM 0 H LEU A 84 2.252 10.991 0.163 1.00 0.00 H new ATOM 0 HA LEU A 84 2.757 8.202 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.316 10.253 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.252 10.286 1.597 1.00 0.00 H new ATOM 0 HG LEU A 84 6.260 9.204 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.409 7.363 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.776 8.853 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.669 7.518 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.002 6.869 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.234 7.035 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.140 8.036 -1.263 1.00 0.00 H new ATOM 1315 N ALA A 85 2.171 9.360 3.025 1.00 0.00 N ATOM 1316 CA ALA A 85 1.694 8.990 4.364 1.00 0.00 C ATOM 1317 C ALA A 85 0.291 8.341 4.374 1.00 0.00 C ATOM 1318 O ALA A 85 -0.040 7.559 5.263 1.00 0.00 O ATOM 1319 CB ALA A 85 1.751 10.234 5.257 1.00 0.00 C ATOM 0 H ALA A 85 2.371 10.355 2.922 1.00 0.00 H new ATOM 0 HA ALA A 85 2.352 8.213 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.400 9.980 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.778 10.595 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.115 11.013 4.837 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.502 8.608 3.338 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.849 8.074 3.111 1.00 0.00 C ATOM 1327 C GLN A 86 -1.804 6.702 2.426 1.00 0.00 C ATOM 1328 O GLN A 86 -2.629 5.833 2.693 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.654 9.127 2.324 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.147 8.816 2.152 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.907 10.026 1.601 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.279 10.942 2.311 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.196 10.104 0.320 1.00 0.00 N ATOM 0 H GLN A 86 -0.208 9.238 2.591 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.353 7.893 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.556 10.088 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.207 9.239 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.269 7.969 1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.573 8.523 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.905 9.360 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.711 10.908 -0.039 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.796 6.489 1.584 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.475 5.220 0.940 1.00 0.00 C ATOM 1344 C CYS A 87 0.208 4.225 1.880 1.00 0.00 C ATOM 1345 O CYS A 87 0.004 3.026 1.732 1.00 0.00 O ATOM 1346 CB CYS A 87 0.441 5.486 -0.253 1.00 0.00 C ATOM 1347 SG CYS A 87 0.353 4.057 -1.367 1.00 0.00 S ATOM 0 H CYS A 87 -0.150 7.233 1.320 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.417 4.771 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.133 6.393 -0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.466 5.643 0.083 1.00 0.00 H new ATOM 0 HG CYS A 87 1.441 3.992 -2.076 1.00 0.00 H new ATOM 1353 N GLN A 88 0.989 4.696 2.854 1.00 0.00 N ATOM 1354 CA GLN A 88 1.686 3.808 3.806 1.00 0.00 C ATOM 1355 C GLN A 88 0.785 3.079 4.821 1.00 0.00 C ATOM 1356 O GLN A 88 1.246 2.159 5.498 1.00 0.00 O ATOM 1357 CB GLN A 88 2.770 4.594 4.552 1.00 0.00 C ATOM 1358 CG GLN A 88 4.053 4.739 3.724 1.00 0.00 C ATOM 1359 CD GLN A 88 5.157 5.423 4.526 1.00 0.00 C ATOM 1360 OE1 GLN A 88 4.955 6.002 5.578 1.00 0.00 O ATOM 1361 NE2 GLN A 88 6.388 5.390 4.084 1.00 0.00 N ATOM 0 H GLN A 88 1.159 5.689 3.010 1.00 0.00 H new ATOM 0 HA GLN A 88 2.116 3.019 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.389 5.583 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.000 4.091 5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.392 3.755 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.844 5.316 2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.602 4.916 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.133 5.839 4.617 1.00 0.00 H new