USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=23 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 38:sc= 0.641 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.515 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 18 LYS NZ :NH3+ 179:sc= 0.866 (180deg=0.865) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 21 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.15) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 1.86 (180deg=0.75!) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 0.219 (180deg=-0.481!) USER MOD Single : A 28 HIS : no HE2:sc= 0.512 K(o=0.51,f=-1.9!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.00767 USER MOD Single : A 37 CYS SG : rot 68:sc= 0.798 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= -1.27 K(o=-1.3,f=-4.5!) USER MOD Single : A 59 SER OG : rot 48:sc= 1.75 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= -0.0256 (180deg=-0.311) 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 134:sc= 0.407 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 3.12 (180deg=2.99) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.657) USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 1.24 (180deg=-0.227) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.587 1.267 -2.086 1.00 0.00 N ATOM 21 CA ALA A 2 4.460 2.302 -2.662 1.00 0.00 C ATOM 22 C ALA A 2 3.652 3.225 -3.606 1.00 0.00 C ATOM 23 O ALA A 2 2.561 2.844 -4.044 1.00 0.00 O ATOM 24 CB ALA A 2 5.622 1.622 -3.398 1.00 0.00 C ATOM 0 HA ALA A 2 4.867 2.928 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.274 2.382 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.190 1.011 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.228 0.989 -4.193 1.00 0.00 H new ATOM 30 N LEU A 3 4.164 4.417 -3.939 1.00 0.00 N ATOM 31 CA LEU A 3 3.434 5.409 -4.736 1.00 0.00 C ATOM 32 C LEU A 3 4.024 5.567 -6.142 1.00 0.00 C ATOM 33 O LEU A 3 5.104 6.110 -6.324 1.00 0.00 O ATOM 34 CB LEU A 3 3.359 6.746 -3.985 1.00 0.00 C ATOM 35 CG LEU A 3 2.014 7.477 -4.131 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.844 6.720 -3.500 1.00 0.00 C ATOM 37 CD2 LEU A 3 2.114 8.849 -3.461 1.00 0.00 C ATOM 0 H LEU A 3 5.098 4.720 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 3 2.416 5.045 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.549 6.567 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.155 7.398 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 3 1.816 7.560 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.075 7.290 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.742 5.745 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.030 6.585 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.163 9.373 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.349 8.722 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.901 9.431 -3.940 1.00 0.00 H new ATOM 49 N ALA A 4 3.284 5.070 -7.122 1.00 0.00 N ATOM 50 CA ALA A 4 3.617 5.021 -8.539 1.00 0.00 C ATOM 51 C ALA A 4 3.440 6.382 -9.244 1.00 0.00 C ATOM 52 O ALA A 4 2.301 6.834 -9.396 1.00 0.00 O ATOM 53 CB ALA A 4 2.724 3.924 -9.142 1.00 0.00 C ATOM 0 H ALA A 4 2.369 4.661 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 4 4.673 4.790 -8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.926 3.836 -10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.936 2.973 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.676 4.184 -8.991 1.00 0.00 H new ATOM 59 N VAL A 5 4.518 7.010 -9.736 1.00 0.00 N ATOM 60 CA VAL A 5 4.472 8.259 -10.521 1.00 0.00 C ATOM 61 C VAL A 5 5.091 8.085 -11.910 1.00 0.00 C ATOM 62 O VAL A 5 6.102 7.418 -12.107 1.00 0.00 O ATOM 63 CB VAL A 5 5.113 9.466 -9.809 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.793 10.830 -10.438 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.733 9.596 -8.332 1.00 0.00 C ATOM 0 H VAL A 5 5.466 6.660 -9.598 1.00 0.00 H new ATOM 0 HA VAL A 5 3.410 8.479 -10.629 1.00 0.00 H new ATOM 0 HB VAL A 5 6.172 9.236 -9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.287 11.618 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.149 10.848 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.715 10.993 -10.424 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.225 10.470 -7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.653 9.709 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.050 8.702 -7.795 1.00 0.00 H new ATOM 75 N ARG A 6 4.470 8.724 -12.895 1.00 0.00 N ATOM 76 CA ARG A 6 4.899 8.868 -14.295 1.00 0.00 C ATOM 77 C ARG A 6 5.044 10.343 -14.666 1.00 0.00 C ATOM 78 O ARG A 6 4.374 11.179 -14.059 1.00 0.00 O ATOM 79 CB ARG A 6 3.871 8.169 -15.218 1.00 0.00 C ATOM 80 CG ARG A 6 4.477 7.104 -16.146 1.00 0.00 C ATOM 81 CD ARG A 6 5.267 6.016 -15.405 1.00 0.00 C ATOM 82 NE ARG A 6 4.520 5.417 -14.286 1.00 0.00 N ATOM 83 CZ ARG A 6 5.045 4.858 -13.211 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.271 4.448 -13.118 1.00 0.00 N ATOM 85 NH2 ARG A 6 4.331 4.709 -12.146 1.00 0.00 N ATOM 0 H ARG A 6 3.581 9.195 -12.729 1.00 0.00 H new ATOM 0 HA ARG A 6 5.874 8.397 -14.422 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.104 7.702 -14.600 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.374 8.924 -15.827 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.676 6.634 -16.716 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.135 7.593 -16.864 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.543 5.232 -16.110 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.195 6.444 -15.026 1.00 0.00 H new ATOM 0 HE ARG A 6 3.502 5.436 -14.347 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.904 4.548 -13.912 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.603 4.025 -12.251 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.361 5.023 -12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.737 4.277 -11.316 1.00 0.00 H new ATOM 99 N VAL A 7 5.819 10.642 -15.710 1.00 0.00 N ATOM 100 CA VAL A 7 5.949 11.963 -16.348 1.00 0.00 C ATOM 101 C VAL A 7 5.986 11.766 -17.864 1.00 0.00 C ATOM 102 O VAL A 7 7.043 11.432 -18.399 1.00 0.00 O ATOM 103 CB VAL A 7 7.214 12.728 -15.900 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.112 14.180 -16.374 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.477 12.726 -14.395 1.00 0.00 C ATOM 0 H VAL A 7 6.404 9.938 -16.159 1.00 0.00 H new ATOM 0 HA VAL A 7 5.093 12.565 -16.044 1.00 0.00 H new ATOM 0 HB VAL A 7 8.052 12.197 -16.353 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.001 14.728 -16.062 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.034 14.203 -17.461 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.228 14.644 -15.937 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.386 13.289 -14.184 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.636 13.188 -13.878 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.596 11.700 -14.048 1.00 0.00 H new ATOM 115 N VAL A 8 4.853 11.870 -18.559 1.00 0.00 N ATOM 116 CA VAL A 8 4.805 11.658 -20.021 1.00 0.00 C ATOM 117 C VAL A 8 5.181 12.934 -20.769 1.00 0.00 C ATOM 118 O VAL A 8 4.616 13.980 -20.463 1.00 0.00 O ATOM 119 CB VAL A 8 3.452 11.076 -20.462 1.00 0.00 C ATOM 120 CG1 VAL A 8 2.239 11.976 -20.220 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.464 10.614 -21.922 1.00 0.00 C ATOM 0 H VAL A 8 3.952 12.099 -18.140 1.00 0.00 H new ATOM 0 HA VAL A 8 5.553 10.910 -20.285 1.00 0.00 H new ATOM 0 HB VAL A 8 3.329 10.215 -19.804 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.337 11.472 -20.566 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.150 12.188 -19.155 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.365 12.911 -20.767 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.486 10.211 -22.184 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.693 11.460 -22.570 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.221 9.841 -22.053 1.00 0.00 H new ATOM 131 N TYR A 9 6.147 12.889 -21.697 1.00 0.00 N ATOM 132 CA TYR A 9 6.590 14.087 -22.427 1.00 0.00 C ATOM 133 C TYR A 9 7.195 13.782 -23.803 1.00 0.00 C ATOM 134 O TYR A 9 7.848 12.768 -24.003 1.00 0.00 O ATOM 135 CB TYR A 9 7.628 14.829 -21.568 1.00 0.00 C ATOM 136 CG TYR A 9 8.385 15.997 -22.198 1.00 0.00 C ATOM 137 CD1 TYR A 9 7.684 17.068 -22.781 1.00 0.00 C ATOM 138 CD2 TYR A 9 9.796 16.029 -22.175 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.367 18.157 -23.354 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.487 17.124 -22.735 1.00 0.00 C ATOM 141 CZ TYR A 9 9.773 18.189 -23.329 1.00 0.00 C ATOM 142 OH TYR A 9 10.433 19.247 -23.871 1.00 0.00 O ATOM 0 H TYR A 9 6.638 12.035 -21.961 1.00 0.00 H new ATOM 0 HA TYR A 9 5.706 14.698 -22.608 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.119 15.203 -20.680 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.364 14.099 -21.230 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.604 17.054 -22.789 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.347 15.215 -21.728 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.814 18.964 -23.811 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.566 17.148 -22.710 1.00 0.00 H new ATOM 0 HH TYR A 9 11.399 19.116 -23.771 1.00 0.00 H new ATOM 152 N SER A 10 7.118 14.740 -24.723 1.00 0.00 N ATOM 153 CA SER A 10 7.903 14.784 -25.964 1.00 0.00 C ATOM 154 C SER A 10 9.401 15.010 -25.691 1.00 0.00 C ATOM 155 O SER A 10 9.873 16.148 -25.711 1.00 0.00 O ATOM 156 CB SER A 10 7.332 15.852 -26.901 1.00 0.00 C ATOM 157 OG SER A 10 7.410 17.151 -26.344 1.00 0.00 O ATOM 0 H SER A 10 6.488 15.536 -24.626 1.00 0.00 H new ATOM 0 HA SER A 10 7.824 13.813 -26.453 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.875 15.831 -27.846 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.292 15.617 -27.125 1.00 0.00 H new ATOM 0 HG SER A 10 8.254 17.247 -25.855 1.00 0.00 H new ATOM 163 N GLY A 11 10.153 13.933 -25.434 1.00 0.00 N ATOM 164 CA GLY A 11 11.525 13.911 -24.890 1.00 0.00 C ATOM 165 C GLY A 11 12.663 14.430 -25.790 1.00 0.00 C ATOM 166 O GLY A 11 13.718 13.800 -25.869 1.00 0.00 O ATOM 0 H GLY A 11 9.801 12.992 -25.610 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.530 14.498 -23.971 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.759 12.883 -24.613 1.00 0.00 H new ATOM 170 N ALA A 12 12.486 15.580 -26.443 1.00 0.00 N ATOM 171 CA ALA A 12 13.375 16.248 -27.401 1.00 0.00 C ATOM 172 C ALA A 12 14.662 16.845 -26.774 1.00 0.00 C ATOM 173 O ALA A 12 14.970 18.024 -26.933 1.00 0.00 O ATOM 174 CB ALA A 12 12.534 17.305 -28.134 1.00 0.00 C ATOM 0 H ALA A 12 11.633 16.122 -26.302 1.00 0.00 H new ATOM 0 HA ALA A 12 13.764 15.506 -28.098 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.158 17.828 -28.859 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.708 16.818 -28.651 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.139 18.020 -27.412 1.00 0.00 H new ATOM 180 N CYS A 13 15.441 16.009 -26.083 1.00 0.00 N ATOM 181 CA CYS A 13 16.639 16.368 -25.315 1.00 0.00 C ATOM 182 C CYS A 13 16.366 17.394 -24.186 1.00 0.00 C ATOM 183 O CYS A 13 15.217 17.683 -23.851 1.00 0.00 O ATOM 184 CB CYS A 13 17.773 16.756 -26.284 1.00 0.00 C ATOM 185 SG CYS A 13 19.396 16.433 -25.523 1.00 0.00 S ATOM 0 H CYS A 13 15.243 15.009 -26.041 1.00 0.00 H new ATOM 0 HA CYS A 13 16.975 15.492 -24.760 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.679 16.189 -27.210 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.691 17.811 -26.547 1.00 0.00 H new ATOM 0 HG CYS A 13 20.339 16.764 -26.355 1.00 0.00 H new ATOM 191 N GLY A 14 17.418 17.809 -23.469 1.00 0.00 N ATOM 192 CA GLY A 14 17.409 18.665 -22.264 1.00 0.00 C ATOM 193 C GLY A 14 16.777 18.045 -21.003 1.00 0.00 C ATOM 194 O GLY A 14 17.238 18.280 -19.888 1.00 0.00 O ATOM 0 H GLY A 14 18.367 17.540 -23.729 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.437 18.944 -22.032 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.875 19.585 -22.500 1.00 0.00 H new ATOM 198 N TYR A 15 15.740 17.226 -21.179 1.00 0.00 N ATOM 199 CA TYR A 15 14.868 16.675 -20.147 1.00 0.00 C ATOM 200 C TYR A 15 15.605 15.920 -19.037 1.00 0.00 C ATOM 201 O TYR A 15 15.441 16.271 -17.876 1.00 0.00 O ATOM 202 CB TYR A 15 13.751 15.846 -20.813 1.00 0.00 C ATOM 203 CG TYR A 15 14.132 14.490 -21.391 1.00 0.00 C ATOM 204 CD1 TYR A 15 14.865 14.412 -22.590 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.712 13.301 -20.762 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.221 13.165 -23.134 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.038 12.046 -21.319 1.00 0.00 C ATOM 208 CZ TYR A 15 14.806 11.977 -22.504 1.00 0.00 C ATOM 209 OH TYR A 15 15.176 10.778 -23.026 1.00 0.00 O ATOM 0 H TYR A 15 15.471 16.910 -22.111 1.00 0.00 H new ATOM 0 HA TYR A 15 14.414 17.512 -19.616 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.964 15.688 -20.076 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.321 16.445 -21.616 1.00 0.00 H new ATOM 0 HD1 TYR A 15 15.157 15.319 -23.098 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.138 13.350 -19.849 1.00 0.00 H new ATOM 0 HE1 TYR A 15 15.813 13.119 -24.036 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.701 11.139 -20.840 1.00 0.00 H new ATOM 0 HH TYR A 15 14.811 10.055 -22.475 1.00 0.00 H new ATOM 219 N LYS A 16 16.438 14.924 -19.365 1.00 0.00 N ATOM 220 CA LYS A 16 17.071 13.978 -18.419 1.00 0.00 C ATOM 221 C LYS A 16 17.606 14.596 -17.112 1.00 0.00 C ATOM 222 O LYS A 16 17.172 14.142 -16.055 1.00 0.00 O ATOM 223 CB LYS A 16 18.118 13.118 -19.157 1.00 0.00 C ATOM 224 CG LYS A 16 17.436 11.974 -19.928 1.00 0.00 C ATOM 225 CD LYS A 16 18.121 11.588 -21.247 1.00 0.00 C ATOM 226 CE LYS A 16 19.548 11.059 -21.066 1.00 0.00 C ATOM 227 NZ LYS A 16 20.099 10.585 -22.361 1.00 0.00 N ATOM 0 H LYS A 16 16.704 14.743 -20.333 1.00 0.00 H new ATOM 0 HA LYS A 16 16.271 13.332 -18.058 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.686 13.741 -19.848 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.829 12.707 -18.440 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.396 11.095 -19.285 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.406 12.261 -20.140 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.522 10.828 -21.749 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.146 12.459 -21.902 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.184 11.846 -20.660 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.550 10.243 -20.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.066 10.231 -22.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.501 9.820 -22.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.116 11.372 -23.040 1.00 0.00 H new ATOM 241 N PRO A 17 18.477 15.623 -17.121 1.00 0.00 N ATOM 242 CA PRO A 17 18.903 16.290 -15.889 1.00 0.00 C ATOM 243 C PRO A 17 17.794 17.101 -15.198 1.00 0.00 C ATOM 244 O PRO A 17 17.725 17.033 -13.974 1.00 0.00 O ATOM 245 CB PRO A 17 20.093 17.168 -16.294 1.00 0.00 C ATOM 246 CG PRO A 17 19.839 17.452 -17.774 1.00 0.00 C ATOM 247 CD PRO A 17 19.207 16.152 -18.261 1.00 0.00 C ATOM 0 HA PRO A 17 19.174 15.550 -15.136 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.131 18.087 -15.710 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.042 16.654 -16.141 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.173 18.303 -17.914 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.762 17.678 -18.307 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.540 16.332 -19.104 1.00 0.00 H new ATOM 0 HD3 PRO A 17 19.968 15.449 -18.600 1.00 0.00 H new ATOM 255 N LYS A 18 16.890 17.823 -15.892 1.00 0.00 N ATOM 256 CA LYS A 18 15.777 18.503 -15.176 1.00 0.00 C ATOM 257 C LYS A 18 14.789 17.494 -14.581 1.00 0.00 C ATOM 258 O LYS A 18 14.265 17.729 -13.495 1.00 0.00 O ATOM 259 CB LYS A 18 15.064 19.567 -16.036 1.00 0.00 C ATOM 260 CG LYS A 18 14.157 20.476 -15.165 1.00 0.00 C ATOM 261 CD LYS A 18 13.595 21.705 -15.907 1.00 0.00 C ATOM 262 CE LYS A 18 12.487 22.453 -15.129 1.00 0.00 C ATOM 263 NZ LYS A 18 12.981 23.230 -13.956 1.00 0.00 N ATOM 0 H LYS A 18 16.899 17.951 -16.904 1.00 0.00 H new ATOM 0 HA LYS A 18 16.234 19.045 -14.348 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.805 20.177 -16.553 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.464 19.077 -16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.325 19.883 -14.785 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.726 20.817 -14.300 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.411 22.397 -16.113 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.197 21.385 -16.870 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.975 23.132 -15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.748 21.729 -14.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.182 23.715 -13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.429 22.584 -13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.677 23.934 -14.274 1.00 0.00 H new ATOM 277 N TYR A 19 14.585 16.364 -15.261 1.00 0.00 N ATOM 278 CA TYR A 19 13.844 15.197 -14.782 1.00 0.00 C ATOM 279 C TYR A 19 14.464 14.652 -13.500 1.00 0.00 C ATOM 280 O TYR A 19 13.771 14.538 -12.496 1.00 0.00 O ATOM 281 CB TYR A 19 13.835 14.092 -15.852 1.00 0.00 C ATOM 282 CG TYR A 19 12.615 14.092 -16.736 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.271 15.252 -17.451 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.821 12.931 -16.829 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.108 15.264 -18.235 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.653 12.946 -17.611 1.00 0.00 C ATOM 287 CZ TYR A 19 10.287 14.125 -18.286 1.00 0.00 C ATOM 288 OH TYR A 19 9.123 14.174 -18.962 1.00 0.00 O ATOM 0 H TYR A 19 14.949 16.232 -16.205 1.00 0.00 H new ATOM 0 HA TYR A 19 12.821 15.511 -14.576 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.721 14.201 -16.477 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.910 13.124 -15.357 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.899 16.129 -17.397 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.109 12.034 -16.302 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.844 16.147 -18.798 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.041 12.060 -17.693 1.00 0.00 H new ATOM 0 HH TYR A 19 8.673 13.305 -18.902 1.00 0.00 H new ATOM 298 N LEU A 20 15.762 14.329 -13.533 1.00 0.00 N ATOM 299 CA LEU A 20 16.523 13.863 -12.376 1.00 0.00 C ATOM 300 C LEU A 20 16.525 14.864 -11.234 1.00 0.00 C ATOM 301 O LEU A 20 16.374 14.433 -10.112 1.00 0.00 O ATOM 302 CB LEU A 20 17.969 13.580 -12.762 1.00 0.00 C ATOM 303 CG LEU A 20 18.180 12.279 -13.552 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.613 12.223 -14.079 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.932 11.048 -12.675 1.00 0.00 C ATOM 0 H LEU A 20 16.321 14.387 -14.384 1.00 0.00 H new ATOM 0 HA LEU A 20 16.029 12.952 -12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.342 14.414 -13.356 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.572 13.540 -11.855 1.00 0.00 H new ATOM 0 HG LEU A 20 17.469 12.272 -14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.759 11.299 -14.639 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.794 13.076 -14.733 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.310 12.254 -13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.090 10.144 -13.264 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.623 11.057 -11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.907 11.066 -12.305 1.00 0.00 H new ATOM 317 N GLN A 21 16.670 16.166 -11.466 1.00 0.00 N ATOM 318 CA GLN A 21 16.693 17.157 -10.397 1.00 0.00 C ATOM 319 C GLN A 21 15.392 17.105 -9.595 1.00 0.00 C ATOM 320 O GLN A 21 15.426 16.985 -8.368 1.00 0.00 O ATOM 321 CB GLN A 21 16.953 18.546 -11.012 1.00 0.00 C ATOM 322 CG GLN A 21 17.440 19.565 -9.980 1.00 0.00 C ATOM 323 CD GLN A 21 16.340 20.219 -9.141 1.00 0.00 C ATOM 324 OE1 GLN A 21 15.754 21.221 -9.516 1.00 0.00 O ATOM 325 NE2 GLN A 21 16.029 19.701 -7.973 1.00 0.00 N ATOM 0 H GLN A 21 16.775 16.562 -12.400 1.00 0.00 H new ATOM 0 HA GLN A 21 17.499 16.941 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.695 18.455 -11.805 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.036 18.912 -11.474 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.142 19.071 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.993 20.348 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.508 18.863 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.309 20.137 -7.397 1.00 0.00 H new ATOM 334 N LEU A 22 14.257 17.163 -10.300 1.00 0.00 N ATOM 335 CA LEU A 22 12.926 16.992 -9.724 1.00 0.00 C ATOM 336 C LEU A 22 12.754 15.613 -9.064 1.00 0.00 C ATOM 337 O LEU A 22 12.235 15.543 -7.951 1.00 0.00 O ATOM 338 CB LEU A 22 11.897 17.249 -10.840 1.00 0.00 C ATOM 339 CG LEU A 22 10.429 17.010 -10.444 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.954 17.926 -9.312 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.548 17.265 -11.668 1.00 0.00 C ATOM 0 H LEU A 22 14.241 17.333 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 22 12.772 17.708 -8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.002 18.280 -11.179 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.137 16.608 -11.688 1.00 0.00 H new ATOM 0 HG LEU A 22 10.353 15.982 -10.088 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.912 17.707 -9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.566 17.757 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.046 18.967 -9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.503 17.100 -11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.680 18.294 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.832 16.583 -12.469 1.00 0.00 H new ATOM 353 N LYS A 23 13.194 14.526 -9.718 1.00 0.00 N ATOM 354 CA LYS A 23 13.074 13.160 -9.221 1.00 0.00 C ATOM 355 C LYS A 23 13.894 12.946 -7.965 1.00 0.00 C ATOM 356 O LYS A 23 13.331 12.608 -6.933 1.00 0.00 O ATOM 357 CB LYS A 23 13.550 12.187 -10.294 1.00 0.00 C ATOM 358 CG LYS A 23 12.425 11.626 -11.150 1.00 0.00 C ATOM 359 CD LYS A 23 12.905 10.657 -12.217 1.00 0.00 C ATOM 360 CE LYS A 23 13.904 9.645 -11.686 1.00 0.00 C ATOM 361 NZ LYS A 23 13.292 8.688 -10.741 1.00 0.00 N ATOM 0 H LYS A 23 13.653 14.582 -10.627 1.00 0.00 H new ATOM 0 HA LYS A 23 12.026 12.984 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.268 12.693 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.078 11.362 -9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.706 11.119 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.897 12.451 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.047 10.129 -12.635 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.362 11.218 -13.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.340 9.097 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.719 10.171 -11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.033 8.264 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.608 9.186 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.803 7.940 -11.273 1.00 0.00 H new ATOM 375 N GLU A 24 15.206 13.165 -8.063 1.00 0.00 N ATOM 376 CA GLU A 24 16.183 13.077 -6.964 1.00 0.00 C ATOM 377 C GLU A 24 15.652 13.675 -5.658 1.00 0.00 C ATOM 378 O GLU A 24 15.750 13.033 -4.623 1.00 0.00 O ATOM 379 CB GLU A 24 17.501 13.761 -7.393 1.00 0.00 C ATOM 380 CG GLU A 24 18.678 13.645 -6.401 1.00 0.00 C ATOM 381 CD GLU A 24 19.045 14.984 -5.735 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.285 15.995 -6.439 1.00 0.00 O ATOM 383 OE2 GLU A 24 19.047 15.093 -4.490 1.00 0.00 O ATOM 0 H GLU A 24 15.642 13.421 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 24 16.369 12.022 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.813 13.337 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.299 14.818 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.423 12.920 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.551 13.257 -6.926 1.00 0.00 H new ATOM 390 N LYS A 25 15.041 14.864 -5.707 1.00 0.00 N ATOM 391 CA LYS A 25 14.462 15.557 -4.546 1.00 0.00 C ATOM 392 C LYS A 25 13.245 14.869 -3.915 1.00 0.00 C ATOM 393 O LYS A 25 13.064 14.916 -2.706 1.00 0.00 O ATOM 394 CB LYS A 25 14.119 17.005 -4.956 1.00 0.00 C ATOM 395 CG LYS A 25 14.609 17.994 -3.891 1.00 0.00 C ATOM 396 CD LYS A 25 16.070 18.458 -4.060 1.00 0.00 C ATOM 397 CE LYS A 25 17.007 17.359 -4.575 1.00 0.00 C ATOM 398 NZ LYS A 25 18.437 17.727 -4.511 1.00 0.00 N ATOM 0 H LYS A 25 14.932 15.386 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 25 15.219 15.535 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.580 17.237 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.042 17.107 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.961 18.870 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.501 17.532 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.097 19.300 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.441 18.820 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.847 16.453 -3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.746 17.124 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.922 17.387 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.527 18.761 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.870 17.292 -3.672 1.00 0.00 H new ATOM 412 N LEU A 26 12.404 14.256 -4.732 1.00 0.00 N ATOM 413 CA LEU A 26 11.225 13.488 -4.343 1.00 0.00 C ATOM 414 C LEU A 26 11.582 12.112 -3.775 1.00 0.00 C ATOM 415 O LEU A 26 11.096 11.711 -2.721 1.00 0.00 O ATOM 416 CB LEU A 26 10.368 13.316 -5.603 1.00 0.00 C ATOM 417 CG LEU A 26 9.074 14.125 -5.663 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.079 13.731 -4.576 1.00 0.00 C ATOM 419 CD2 LEU A 26 9.336 15.625 -5.602 1.00 0.00 C ATOM 0 H LEU A 26 12.530 14.281 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 26 10.695 14.022 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.976 13.581 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.115 12.260 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 26 8.627 13.886 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.179 14.339 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.818 12.678 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.528 13.894 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.389 16.162 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.846 15.868 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.961 15.920 -6.445 1.00 0.00 H new ATOM 431 N GLU A 27 12.418 11.384 -4.506 1.00 0.00 N ATOM 432 CA GLU A 27 13.057 10.138 -4.091 1.00 0.00 C ATOM 433 C GLU A 27 13.951 10.280 -2.843 1.00 0.00 C ATOM 434 O GLU A 27 13.991 9.363 -2.032 1.00 0.00 O ATOM 435 CB GLU A 27 13.827 9.601 -5.308 1.00 0.00 C ATOM 436 CG GLU A 27 12.922 8.714 -6.182 1.00 0.00 C ATOM 437 CD GLU A 27 13.160 8.877 -7.688 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.195 8.427 -8.236 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.268 9.426 -8.375 1.00 0.00 O ATOM 0 H GLU A 27 12.683 11.659 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 27 12.292 9.429 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.207 10.434 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.691 9.027 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.081 7.670 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.880 8.946 -5.962 1.00 0.00 H new ATOM 446 N HIS A 28 14.602 11.428 -2.633 1.00 0.00 N ATOM 447 CA HIS A 28 15.189 11.860 -1.349 1.00 0.00 C ATOM 448 C HIS A 28 14.146 11.917 -0.229 1.00 0.00 C ATOM 449 O HIS A 28 14.374 11.442 0.882 1.00 0.00 O ATOM 450 CB HIS A 28 15.823 13.255 -1.520 1.00 0.00 C ATOM 451 CG HIS A 28 15.987 14.065 -0.250 1.00 0.00 C ATOM 452 ND1 HIS A 28 15.087 14.975 0.274 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.049 14.008 0.610 1.00 0.00 C ATOM 454 CE1 HIS A 28 15.608 15.454 1.413 1.00 0.00 C ATOM 455 NE2 HIS A 28 16.811 14.908 1.654 1.00 0.00 N ATOM 0 H HIS A 28 14.743 12.112 -3.377 1.00 0.00 H new ATOM 0 HA HIS A 28 15.944 11.126 -1.067 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.804 13.134 -1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.212 13.828 -2.218 1.00 0.00 H new ATOM 0 HD1 HIS A 28 14.188 15.235 -0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.920 13.378 0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.126 16.180 2.050 1.00 0.00 H new ATOM 463 N GLU A 29 13.001 12.532 -0.522 1.00 0.00 N ATOM 464 CA GLU A 29 11.936 12.768 0.457 1.00 0.00 C ATOM 465 C GLU A 29 11.246 11.469 0.901 1.00 0.00 C ATOM 466 O GLU A 29 10.798 11.345 2.043 1.00 0.00 O ATOM 467 CB GLU A 29 10.872 13.676 -0.177 1.00 0.00 C ATOM 468 CG GLU A 29 10.333 14.768 0.745 1.00 0.00 C ATOM 469 CD GLU A 29 11.285 15.936 1.030 1.00 0.00 C ATOM 470 OE1 GLU A 29 12.450 15.934 0.578 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.800 16.830 1.773 1.00 0.00 O ATOM 0 H GLU A 29 12.783 12.884 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 29 12.395 13.227 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.297 14.146 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.039 13.058 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.419 15.169 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.056 14.310 1.695 1.00 0.00 H new ATOM 478 N PHE A 30 11.117 10.534 -0.044 1.00 0.00 N ATOM 479 CA PHE A 30 10.315 9.309 0.041 1.00 0.00 C ATOM 480 C PHE A 30 11.029 8.041 -0.484 1.00 0.00 C ATOM 481 O PHE A 30 10.431 7.291 -1.266 1.00 0.00 O ATOM 482 CB PHE A 30 9.013 9.548 -0.742 1.00 0.00 C ATOM 483 CG PHE A 30 8.248 10.795 -0.363 1.00 0.00 C ATOM 484 CD1 PHE A 30 7.808 10.955 0.958 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.029 11.817 -1.306 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.191 12.147 1.348 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.429 13.024 -0.909 1.00 0.00 C ATOM 488 CZ PHE A 30 7.034 13.196 0.423 1.00 0.00 C ATOM 0 H PHE A 30 11.597 10.616 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 30 10.127 9.110 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.252 9.598 -1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.361 8.686 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.946 10.158 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.322 11.673 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.834 12.263 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.273 13.815 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.608 14.136 0.741 1.00 0.00 H new ATOM 498 N PRO A 31 12.278 7.731 -0.088 1.00 0.00 N ATOM 499 CA PRO A 31 13.061 6.693 -0.748 1.00 0.00 C ATOM 500 C PRO A 31 12.399 5.328 -0.623 1.00 0.00 C ATOM 501 O PRO A 31 12.076 4.872 0.469 1.00 0.00 O ATOM 502 CB PRO A 31 14.448 6.716 -0.120 1.00 0.00 C ATOM 503 CG PRO A 31 14.216 7.388 1.236 1.00 0.00 C ATOM 504 CD PRO A 31 13.067 8.356 0.956 1.00 0.00 C ATOM 0 HA PRO A 31 13.130 6.885 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.853 5.711 -0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.156 7.277 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.952 6.662 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.107 7.911 1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.469 8.525 1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.442 9.328 0.635 1.00 0.00 H new ATOM 512 N GLY A 32 12.165 4.703 -1.772 1.00 0.00 N ATOM 513 CA GLY A 32 11.447 3.436 -1.953 1.00 0.00 C ATOM 514 C GLY A 32 9.979 3.386 -1.519 1.00 0.00 C ATOM 515 O GLY A 32 9.251 2.495 -1.951 1.00 0.00 O ATOM 0 H GLY A 32 12.490 5.087 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.495 3.171 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.986 2.663 -1.405 1.00 0.00 H new ATOM 519 N CYS A 33 9.493 4.344 -0.727 1.00 0.00 N ATOM 520 CA CYS A 33 8.069 4.564 -0.521 1.00 0.00 C ATOM 521 C CYS A 33 7.397 5.121 -1.790 1.00 0.00 C ATOM 522 O CYS A 33 6.171 5.098 -1.902 1.00 0.00 O ATOM 523 CB CYS A 33 7.831 5.472 0.689 1.00 0.00 C ATOM 524 SG CYS A 33 8.806 4.953 2.133 1.00 0.00 S ATOM 0 H CYS A 33 10.086 4.992 -0.208 1.00 0.00 H new ATOM 0 HA CYS A 33 7.605 3.600 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.088 6.499 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.772 5.464 0.945 1.00 0.00 H new ATOM 0 HG CYS A 33 8.569 5.756 3.128 1.00 0.00 H new ATOM 530 N LEU A 34 8.203 5.571 -2.755 1.00 0.00 N ATOM 531 CA LEU A 34 7.834 6.082 -4.057 1.00 0.00 C ATOM 532 C LEU A 34 8.539 5.351 -5.201 1.00 0.00 C ATOM 533 O LEU A 34 9.659 4.857 -5.085 1.00 0.00 O ATOM 534 CB LEU A 34 8.223 7.570 -4.146 1.00 0.00 C ATOM 535 CG LEU A 34 7.010 8.480 -4.273 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.226 8.648 -2.975 1.00 0.00 C ATOM 537 CD2 LEU A 34 7.436 9.859 -4.769 1.00 0.00 C ATOM 0 H LEU A 34 9.214 5.584 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 34 6.759 5.932 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.791 7.848 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.878 7.721 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 34 6.349 7.991 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.377 9.310 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.866 7.676 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.874 9.079 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.560 10.501 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.139 10.299 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.914 9.763 -5.744 1.00 0.00 H new ATOM 549 N ASP A 35 7.886 5.470 -6.344 1.00 0.00 N ATOM 550 CA ASP A 35 8.366 5.359 -7.710 1.00 0.00 C ATOM 551 C ASP A 35 8.083 6.684 -8.413 1.00 0.00 C ATOM 552 O ASP A 35 6.996 7.249 -8.317 1.00 0.00 O ATOM 553 CB ASP A 35 7.552 4.253 -8.372 1.00 0.00 C ATOM 554 CG ASP A 35 7.430 4.260 -9.905 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.387 4.588 -10.635 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.303 3.991 -10.396 1.00 0.00 O ATOM 0 H ASP A 35 6.886 5.671 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 35 9.432 5.137 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.986 3.298 -8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.544 4.287 -7.957 1.00 0.00 H new ATOM 561 N ILE A 36 9.038 7.113 -9.214 1.00 0.00 N ATOM 562 CA ILE A 36 8.843 8.076 -10.282 1.00 0.00 C ATOM 563 C ILE A 36 9.666 7.613 -11.478 1.00 0.00 C ATOM 564 O ILE A 36 10.902 7.629 -11.498 1.00 0.00 O ATOM 565 CB ILE A 36 9.283 9.487 -9.904 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.774 9.966 -8.532 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.913 10.471 -11.039 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.232 11.372 -8.158 1.00 0.00 C ATOM 0 H ILE A 36 10.003 6.791 -9.138 1.00 0.00 H new ATOM 0 HA ILE A 36 7.777 8.123 -10.502 1.00 0.00 H new ATOM 0 HB ILE A 36 10.367 9.459 -9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.684 9.937 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.113 9.268 -7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.229 11.478 -10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.415 10.171 -11.959 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.834 10.459 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.833 11.636 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.321 11.403 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.870 12.082 -8.901 1.00 0.00 H new ATOM 580 N CYS A 37 8.946 7.288 -12.525 1.00 0.00 N ATOM 581 CA CYS A 37 9.471 7.146 -13.871 1.00 0.00 C ATOM 582 C CYS A 37 9.003 8.308 -14.752 1.00 0.00 C ATOM 583 O CYS A 37 8.155 9.113 -14.374 1.00 0.00 O ATOM 584 CB CYS A 37 9.039 5.795 -14.437 1.00 0.00 C ATOM 585 SG CYS A 37 9.775 4.422 -13.508 1.00 0.00 S ATOM 0 H CYS A 37 7.944 7.108 -12.466 1.00 0.00 H new ATOM 0 HA CYS A 37 10.560 7.178 -13.850 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.952 5.716 -14.405 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.333 5.727 -15.484 1.00 0.00 H new ATOM 0 HG CYS A 37 9.263 4.382 -12.314 1.00 0.00 H new ATOM 591 N GLY A 38 9.535 8.374 -15.968 1.00 0.00 N ATOM 592 CA GLY A 38 9.046 9.230 -17.043 1.00 0.00 C ATOM 593 C GLY A 38 8.792 8.406 -18.298 1.00 0.00 C ATOM 594 O GLY A 38 9.328 7.307 -18.430 1.00 0.00 O ATOM 0 H GLY A 38 10.344 7.816 -16.241 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.126 9.726 -16.733 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.775 10.013 -17.254 1.00 0.00 H new ATOM 598 N GLU A 39 8.025 8.955 -19.228 1.00 0.00 N ATOM 599 CA GLU A 39 7.677 8.347 -20.508 1.00 0.00 C ATOM 600 C GLU A 39 7.864 9.381 -21.614 1.00 0.00 C ATOM 601 O GLU A 39 6.953 10.069 -22.067 1.00 0.00 O ATOM 602 CB GLU A 39 6.283 7.740 -20.436 1.00 0.00 C ATOM 603 CG GLU A 39 5.996 6.896 -21.680 1.00 0.00 C ATOM 604 CD GLU A 39 4.564 6.362 -21.690 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.102 5.886 -20.626 1.00 0.00 O ATOM 606 OE2 GLU A 39 3.964 6.442 -22.784 1.00 0.00 O ATOM 0 H GLU A 39 7.608 9.878 -19.108 1.00 0.00 H new ATOM 0 HA GLU A 39 8.340 7.515 -20.747 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.196 7.121 -19.543 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.540 8.533 -20.349 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.165 7.497 -22.573 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.695 6.061 -21.721 1.00 0.00 H new ATOM 702 N PHE A 47 3.354 18.487 -24.810 1.00 0.00 N ATOM 703 CA PHE A 47 2.555 17.809 -23.778 1.00 0.00 C ATOM 704 C PHE A 47 3.538 17.229 -22.734 1.00 0.00 C ATOM 705 O PHE A 47 4.411 16.471 -23.141 1.00 0.00 O ATOM 706 CB PHE A 47 1.712 16.719 -24.494 1.00 0.00 C ATOM 707 CG PHE A 47 0.290 16.424 -24.028 1.00 0.00 C ATOM 708 CD1 PHE A 47 -0.188 16.838 -22.775 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.584 15.718 -24.880 1.00 0.00 C ATOM 710 CE1 PHE A 47 -1.513 16.565 -22.383 1.00 0.00 C ATOM 711 CE2 PHE A 47 -1.909 15.440 -24.496 1.00 0.00 C ATOM 712 CZ PHE A 47 -2.375 15.865 -23.242 1.00 0.00 C ATOM 0 HA PHE A 47 1.869 18.473 -23.252 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.657 16.992 -25.548 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.272 15.786 -24.435 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.468 17.372 -22.104 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.230 15.385 -25.844 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.867 16.895 -21.418 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.565 14.902 -25.164 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.390 15.655 -22.940 1.00 0.00 H new ATOM 722 N PHE A 48 3.483 17.615 -21.447 1.00 0.00 N ATOM 723 CA PHE A 48 4.419 17.199 -20.371 1.00 0.00 C ATOM 724 C PHE A 48 3.628 17.004 -19.067 1.00 0.00 C ATOM 725 O PHE A 48 3.356 17.996 -18.376 1.00 0.00 O ATOM 726 CB PHE A 48 5.555 18.241 -20.187 1.00 0.00 C ATOM 727 CG PHE A 48 6.750 17.915 -19.284 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.588 17.467 -17.954 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.052 18.241 -19.718 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.693 17.345 -17.092 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.159 18.120 -18.858 1.00 0.00 C ATOM 732 CZ PHE A 48 8.983 17.668 -17.540 1.00 0.00 C ATOM 0 H PHE A 48 2.760 18.250 -21.108 1.00 0.00 H new ATOM 0 HA PHE A 48 4.891 16.256 -20.648 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.949 18.471 -21.177 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.099 19.155 -19.806 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.602 17.215 -17.594 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.202 18.590 -20.729 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.548 17.000 -16.079 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.147 18.375 -19.212 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.831 17.570 -16.879 1.00 0.00 H new ATOM 742 N GLU A 49 3.217 15.778 -18.711 1.00 0.00 N ATOM 743 CA GLU A 49 2.163 15.604 -17.716 1.00 0.00 C ATOM 744 C GLU A 49 2.564 14.632 -16.590 1.00 0.00 C ATOM 745 O GLU A 49 2.989 13.504 -16.856 1.00 0.00 O ATOM 746 CB GLU A 49 0.918 15.129 -18.461 1.00 0.00 C ATOM 747 CG GLU A 49 0.503 15.929 -19.711 1.00 0.00 C ATOM 748 CD GLU A 49 0.089 17.393 -19.471 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.033 17.611 -18.966 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.803 18.341 -19.891 1.00 0.00 O ATOM 0 H GLU A 49 3.594 14.910 -19.092 1.00 0.00 H new ATOM 0 HA GLU A 49 1.971 16.551 -17.211 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.076 14.093 -18.759 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.082 15.135 -17.762 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.334 15.918 -20.417 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.328 15.411 -20.190 1.00 0.00 H new ATOM 757 N VAL A 50 2.421 15.050 -15.322 1.00 0.00 N ATOM 758 CA VAL A 50 2.833 14.227 -14.159 1.00 0.00 C ATOM 759 C VAL A 50 1.612 13.583 -13.528 1.00 0.00 C ATOM 760 O VAL A 50 0.661 14.278 -13.167 1.00 0.00 O ATOM 761 CB VAL A 50 3.583 15.013 -13.067 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.037 14.113 -11.906 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.839 15.713 -13.597 1.00 0.00 C ATOM 0 H VAL A 50 2.023 15.954 -15.069 1.00 0.00 H new ATOM 0 HA VAL A 50 3.524 13.483 -14.554 1.00 0.00 H new ATOM 0 HB VAL A 50 2.858 15.750 -12.721 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.561 14.714 -11.163 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.166 13.645 -11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.706 13.341 -12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.326 16.251 -12.784 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.525 14.970 -14.003 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.560 16.417 -14.381 1.00 0.00 H new ATOM 773 N THR A 51 1.649 12.269 -13.336 1.00 0.00 N ATOM 774 CA THR A 51 0.557 11.492 -12.751 1.00 0.00 C ATOM 775 C THR A 51 1.061 10.640 -11.585 1.00 0.00 C ATOM 776 O THR A 51 1.994 9.870 -11.783 1.00 0.00 O ATOM 777 CB THR A 51 -0.050 10.531 -13.793 1.00 0.00 C ATOM 778 OG1 THR A 51 0.459 10.679 -15.099 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.554 10.697 -13.903 1.00 0.00 C ATOM 0 H THR A 51 2.457 11.699 -13.588 1.00 0.00 H new ATOM 0 HA THR A 51 -0.193 12.205 -12.407 1.00 0.00 H new ATOM 0 HB THR A 51 0.228 9.548 -13.413 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.024 10.034 -15.695 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.943 10.002 -14.647 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.015 10.490 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.786 11.719 -14.204 1.00 0.00 H new ATOM 787 N VAL A 52 0.431 10.702 -10.404 1.00 0.00 N ATOM 788 CA VAL A 52 0.692 9.854 -9.222 1.00 0.00 C ATOM 789 C VAL A 52 -0.521 8.981 -8.930 1.00 0.00 C ATOM 790 O VAL A 52 -1.638 9.483 -8.885 1.00 0.00 O ATOM 791 CB VAL A 52 1.072 10.683 -7.976 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.013 11.660 -7.505 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.382 9.775 -6.778 1.00 0.00 C ATOM 0 H VAL A 52 -0.313 11.378 -10.234 1.00 0.00 H new ATOM 0 HA VAL A 52 1.548 9.221 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 52 1.943 11.253 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.340 12.199 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.234 12.370 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.917 11.106 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.646 10.388 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.504 9.174 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.216 9.118 -7.026 1.00 0.00 H new ATOM 803 N ALA A 53 -0.326 7.673 -8.771 1.00 0.00 N ATOM 804 CA ALA A 53 -1.378 6.668 -8.549 1.00 0.00 C ATOM 805 C ALA A 53 -2.640 6.832 -9.446 1.00 0.00 C ATOM 806 O ALA A 53 -3.754 6.515 -9.033 1.00 0.00 O ATOM 807 CB ALA A 53 -1.694 6.640 -7.044 1.00 0.00 C ATOM 0 H ALA A 53 0.607 7.262 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.998 5.697 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.472 5.902 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.795 6.374 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.039 7.624 -6.726 1.00 0.00 H new ATOM 813 N GLY A 54 -2.492 7.373 -10.666 1.00 0.00 N ATOM 814 CA GLY A 54 -3.597 7.672 -11.590 1.00 0.00 C ATOM 815 C GLY A 54 -4.247 9.055 -11.424 1.00 0.00 C ATOM 816 O GLY A 54 -5.382 9.247 -11.852 1.00 0.00 O ATOM 0 H GLY A 54 -1.578 7.620 -11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.226 7.585 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.367 6.911 -11.465 1.00 0.00 H new ATOM 820 N LYS A 55 -3.567 10.026 -10.802 1.00 0.00 N ATOM 821 CA LYS A 55 -4.028 11.399 -10.515 1.00 0.00 C ATOM 822 C LYS A 55 -3.051 12.424 -11.093 1.00 0.00 C ATOM 823 O LYS A 55 -1.875 12.401 -10.731 1.00 0.00 O ATOM 824 CB LYS A 55 -4.168 11.612 -9.003 1.00 0.00 C ATOM 825 CG LYS A 55 -4.933 10.530 -8.226 1.00 0.00 C ATOM 826 CD LYS A 55 -6.402 10.420 -8.650 1.00 0.00 C ATOM 827 CE LYS A 55 -7.050 9.244 -7.914 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.430 9.002 -8.397 1.00 0.00 N ATOM 0 H LYS A 55 -2.618 9.868 -10.462 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.002 11.536 -10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.168 11.696 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.666 12.567 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.444 9.568 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.883 10.751 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.930 11.345 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.472 10.274 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.449 8.346 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.067 9.447 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.843 8.200 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.008 9.852 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.409 8.785 -9.414 1.00 0.00 H new ATOM 842 N LEU A 56 -3.493 13.275 -12.018 1.00 0.00 N ATOM 843 CA LEU A 56 -2.670 14.368 -12.547 1.00 0.00 C ATOM 844 C LEU A 56 -2.326 15.375 -11.445 1.00 0.00 C ATOM 845 O LEU A 56 -3.199 15.835 -10.713 1.00 0.00 O ATOM 846 CB LEU A 56 -3.383 14.984 -13.760 1.00 0.00 C ATOM 847 CG LEU A 56 -2.688 16.186 -14.435 1.00 0.00 C ATOM 848 CD1 LEU A 56 -3.124 16.257 -15.901 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.061 17.528 -13.794 1.00 0.00 C ATOM 0 H LEU A 56 -4.428 13.229 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.708 13.992 -12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.517 14.203 -14.509 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.378 15.298 -13.446 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.615 16.029 -14.323 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.637 17.104 -16.385 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.840 15.336 -16.410 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.206 16.382 -15.953 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.542 18.335 -14.311 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.137 17.681 -13.871 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.769 17.523 -12.744 1.00 0.00 H new ATOM 861 N VAL A 57 -1.044 15.726 -11.371 1.00 0.00 N ATOM 862 CA VAL A 57 -0.486 16.710 -10.416 1.00 0.00 C ATOM 863 C VAL A 57 0.118 17.915 -11.139 1.00 0.00 C ATOM 864 O VAL A 57 0.246 19.002 -10.572 1.00 0.00 O ATOM 865 CB VAL A 57 0.591 16.080 -9.505 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.734 16.868 -8.195 1.00 0.00 C ATOM 867 CG2 VAL A 57 0.285 14.636 -9.098 1.00 0.00 C ATOM 0 H VAL A 57 -0.335 15.328 -11.987 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.321 17.042 -9.799 1.00 0.00 H new ATOM 0 HB VAL A 57 1.501 16.105 -10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.498 16.403 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.023 17.895 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.218 16.866 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.085 14.261 -8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.659 14.604 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.211 14.014 -9.990 1.00 0.00 H new ATOM 877 N HIS A 58 0.474 17.718 -12.410 1.00 0.00 N ATOM 878 CA HIS A 58 1.175 18.690 -13.232 1.00 0.00 C ATOM 879 C HIS A 58 0.724 18.559 -14.677 1.00 0.00 C ATOM 880 O HIS A 58 0.508 17.448 -15.158 1.00 0.00 O ATOM 881 CB HIS A 58 2.656 18.351 -13.171 1.00 0.00 C ATOM 882 CG HIS A 58 3.624 19.461 -13.420 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.689 20.644 -12.729 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.786 19.313 -14.124 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.911 21.151 -12.937 1.00 0.00 C ATOM 886 NE2 HIS A 58 5.613 20.386 -13.790 1.00 0.00 N ATOM 0 H HIS A 58 0.273 16.849 -12.905 1.00 0.00 H new ATOM 0 HA HIS A 58 0.974 19.700 -12.875 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.866 17.935 -12.186 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.852 17.563 -13.898 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.948 21.059 -12.164 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.021 18.514 -14.811 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.283 22.056 -12.479 1.00 0.00 H new ATOM 894 N SER A 59 0.658 19.684 -15.374 1.00 0.00 N ATOM 895 CA SER A 59 0.263 19.748 -16.772 1.00 0.00 C ATOM 896 C SER A 59 0.864 20.961 -17.479 1.00 0.00 C ATOM 897 O SER A 59 0.414 22.098 -17.265 1.00 0.00 O ATOM 898 CB SER A 59 -1.259 19.872 -16.822 1.00 0.00 C ATOM 899 OG SER A 59 -1.732 19.891 -18.150 1.00 0.00 O ATOM 0 H SER A 59 0.882 20.596 -14.975 1.00 0.00 H new ATOM 0 HA SER A 59 0.621 18.850 -17.275 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.711 19.038 -16.285 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.568 20.784 -16.311 1.00 0.00 H new ATOM 0 HG SER A 59 -1.318 19.160 -18.655 1.00 0.00 H new ATOM 905 N LYS A 60 1.854 20.772 -18.356 1.00 0.00 N ATOM 906 CA LYS A 60 2.215 21.844 -19.293 1.00 0.00 C ATOM 907 C LYS A 60 1.103 22.151 -20.286 1.00 0.00 C ATOM 908 O LYS A 60 0.982 23.316 -20.667 1.00 0.00 O ATOM 909 CB LYS A 60 3.493 21.487 -20.051 1.00 0.00 C ATOM 910 CG LYS A 60 4.751 22.003 -19.337 1.00 0.00 C ATOM 911 CD LYS A 60 5.162 23.433 -19.734 1.00 0.00 C ATOM 912 CE LYS A 60 4.107 24.517 -19.474 1.00 0.00 C ATOM 913 NZ LYS A 60 4.636 25.871 -19.777 1.00 0.00 N ATOM 0 H LYS A 60 2.405 19.918 -18.439 1.00 0.00 H new ATOM 0 HA LYS A 60 2.380 22.739 -18.693 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.558 20.405 -20.162 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.448 21.908 -21.055 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.583 21.971 -18.261 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.579 21.327 -19.550 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.070 23.696 -19.191 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.412 23.440 -20.795 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.226 24.324 -20.086 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.788 24.474 -18.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.899 26.581 -19.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.462 26.064 -19.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.918 25.918 -20.777 1.00 0.00 H new ATOM 927 N LYS A 61 0.271 21.168 -20.651 1.00 0.00 N ATOM 928 CA LYS A 61 -0.866 21.353 -21.562 1.00 0.00 C ATOM 929 C LYS A 61 -1.909 22.327 -21.015 1.00 0.00 C ATOM 930 O LYS A 61 -2.451 23.104 -21.796 1.00 0.00 O ATOM 931 CB LYS A 61 -1.435 19.975 -21.926 1.00 0.00 C ATOM 932 CG LYS A 61 -2.506 20.015 -23.029 1.00 0.00 C ATOM 933 CD LYS A 61 -3.950 20.180 -22.510 1.00 0.00 C ATOM 934 CE LYS A 61 -4.710 21.375 -23.109 1.00 0.00 C ATOM 935 NZ LYS A 61 -4.683 21.389 -24.592 1.00 0.00 N ATOM 0 H LYS A 61 0.370 20.209 -20.318 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.521 21.831 -22.479 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.618 19.329 -22.249 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.865 19.522 -21.032 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.281 20.838 -23.708 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.445 19.096 -23.611 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.506 19.267 -22.724 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.923 20.289 -21.426 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.745 21.348 -22.769 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.275 22.301 -22.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.479 21.955 -24.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.788 21.806 -24.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.763 20.416 -24.950 1.00 0.00 H new ATOM 949 N ARG A 62 -2.189 22.325 -19.704 1.00 0.00 N ATOM 950 CA ARG A 62 -3.053 23.339 -19.080 1.00 0.00 C ATOM 951 C ARG A 62 -2.356 24.685 -18.870 1.00 0.00 C ATOM 952 O ARG A 62 -3.025 25.707 -18.819 1.00 0.00 O ATOM 953 CB ARG A 62 -3.676 22.794 -17.779 1.00 0.00 C ATOM 954 CG ARG A 62 -2.991 23.292 -16.496 1.00 0.00 C ATOM 955 CD ARG A 62 -3.665 22.804 -15.219 1.00 0.00 C ATOM 956 NE ARG A 62 -3.014 23.447 -14.062 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.575 23.786 -12.910 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.847 23.616 -12.675 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.871 24.302 -11.949 1.00 0.00 N ATOM 0 H ARG A 62 -1.828 21.629 -19.052 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.860 23.545 -19.783 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.729 23.075 -17.748 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.637 21.705 -17.799 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.952 22.963 -16.497 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.981 24.382 -16.498 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.728 23.046 -15.237 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.587 21.720 -15.142 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.020 23.654 -14.159 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.448 23.209 -13.392 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.240 23.890 -11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.870 24.452 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.319 24.557 -11.069 1.00 0.00 H new ATOM 973 N GLY A 63 -1.038 24.667 -18.676 1.00 0.00 N ATOM 974 CA GLY A 63 -0.252 25.847 -18.317 1.00 0.00 C ATOM 975 C GLY A 63 0.152 25.935 -16.850 1.00 0.00 C ATOM 976 O GLY A 63 0.429 27.022 -16.359 1.00 0.00 O ATOM 0 H GLY A 63 -0.478 23.819 -18.765 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.651 25.862 -18.928 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.825 26.738 -18.574 1.00 0.00 H new ATOM 980 N ASP A 64 0.249 24.796 -16.160 1.00 0.00 N ATOM 981 CA ASP A 64 0.727 24.738 -14.774 1.00 0.00 C ATOM 982 C ASP A 64 2.183 25.233 -14.614 1.00 0.00 C ATOM 983 O ASP A 64 2.540 25.815 -13.586 1.00 0.00 O ATOM 984 CB ASP A 64 0.568 23.288 -14.297 1.00 0.00 C ATOM 985 CG ASP A 64 0.630 23.154 -12.783 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.185 23.810 -12.088 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.469 22.365 -12.290 1.00 0.00 O ATOM 0 H ASP A 64 -0.002 23.886 -16.546 1.00 0.00 H new ATOM 0 HA ASP A 64 0.134 25.416 -14.160 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.385 22.896 -14.653 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.351 22.676 -14.744 1.00 0.00 H new ATOM 992 N GLY A 65 3.006 25.030 -15.658 1.00 0.00 N ATOM 993 CA GLY A 65 4.445 25.300 -15.691 1.00 0.00 C ATOM 994 C GLY A 65 5.233 24.361 -14.775 1.00 0.00 C ATOM 995 O GLY A 65 4.692 23.862 -13.794 1.00 0.00 O ATOM 0 H GLY A 65 2.664 24.655 -16.543 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.809 25.196 -16.713 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.626 26.332 -15.392 1.00 0.00 H new ATOM 999 N TYR A 66 6.516 24.162 -15.058 1.00 0.00 N ATOM 1000 CA TYR A 66 7.418 23.280 -14.320 1.00 0.00 C ATOM 1001 C TYR A 66 7.624 23.687 -12.853 1.00 0.00 C ATOM 1002 O TYR A 66 6.998 24.618 -12.332 1.00 0.00 O ATOM 1003 CB TYR A 66 8.761 23.230 -15.053 1.00 0.00 C ATOM 1004 CG TYR A 66 8.662 22.966 -16.536 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.108 21.752 -16.982 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.113 23.928 -17.461 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.025 21.493 -18.358 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.048 23.659 -18.843 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.508 22.432 -19.290 1.00 0.00 C ATOM 1010 OH TYR A 66 8.408 22.158 -20.615 1.00 0.00 O ATOM 0 H TYR A 66 6.976 24.629 -15.839 1.00 0.00 H new ATOM 0 HA TYR A 66 6.953 22.295 -14.286 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.278 24.177 -14.900 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.378 22.454 -14.600 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.749 21.024 -16.269 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.508 24.870 -17.112 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.588 20.568 -18.705 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.409 24.386 -19.556 1.00 0.00 H new ATOM 0 HH TYR A 66 8.783 22.901 -21.132 1.00 0.00 H new ATOM 1020 N VAL A 67 8.585 23.045 -12.178 1.00 0.00 N ATOM 1021 CA VAL A 67 9.334 23.778 -11.155 1.00 0.00 C ATOM 1022 C VAL A 67 10.091 24.933 -11.808 1.00 0.00 C ATOM 1023 O VAL A 67 11.209 24.810 -12.314 1.00 0.00 O ATOM 1024 CB VAL A 67 10.190 22.943 -10.204 1.00 0.00 C ATOM 1025 CG1 VAL A 67 9.286 21.953 -9.462 1.00 0.00 C ATOM 1026 CG2 VAL A 67 11.347 22.141 -10.823 1.00 0.00 C ATOM 0 H VAL A 67 8.852 22.070 -12.311 1.00 0.00 H new ATOM 0 HA VAL A 67 8.589 24.176 -10.466 1.00 0.00 H new ATOM 0 HB VAL A 67 10.664 23.683 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.887 21.352 -8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.534 22.502 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.793 21.300 -10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.872 21.595 -10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.951 21.436 -11.554 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.040 22.823 -11.316 1.00 0.00 H new ATOM 1036 N ASP A 68 9.349 26.027 -11.840 1.00 0.00 N ATOM 1037 CA ASP A 68 9.652 27.387 -12.230 1.00 0.00 C ATOM 1038 C ASP A 68 9.811 28.264 -10.973 1.00 0.00 C ATOM 1039 O ASP A 68 10.328 29.375 -11.029 1.00 0.00 O ATOM 1040 CB ASP A 68 8.452 27.903 -13.014 1.00 0.00 C ATOM 1041 CG ASP A 68 8.099 27.159 -14.314 1.00 0.00 C ATOM 1042 OD1 ASP A 68 9.008 26.682 -15.028 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.873 27.024 -14.553 1.00 0.00 O ATOM 0 H ASP A 68 8.374 25.965 -11.548 1.00 0.00 H new ATOM 0 HA ASP A 68 10.570 27.420 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.581 27.874 -12.359 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.632 28.950 -13.260 1.00 0.00 H new ATOM 1048 N THR A 69 9.327 27.783 -9.819 1.00 0.00 N ATOM 1049 CA THR A 69 9.465 28.461 -8.534 1.00 0.00 C ATOM 1050 C THR A 69 9.558 27.440 -7.419 1.00 0.00 C ATOM 1051 O THR A 69 9.007 26.343 -7.487 1.00 0.00 O ATOM 1052 CB THR A 69 8.285 29.395 -8.212 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.483 29.686 -9.330 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.750 30.732 -7.641 1.00 0.00 C ATOM 0 H THR A 69 8.822 26.899 -9.757 1.00 0.00 H new ATOM 0 HA THR A 69 10.371 29.063 -8.607 1.00 0.00 H new ATOM 0 HB THR A 69 7.701 28.840 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.752 30.281 -9.062 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.883 31.358 -7.429 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.308 30.560 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.392 31.234 -8.365 1.00 0.00 H new ATOM 1062 N GLU A 70 10.146 27.906 -6.334 1.00 0.00 N ATOM 1063 CA GLU A 70 10.285 27.286 -5.019 1.00 0.00 C ATOM 1064 C GLU A 70 8.945 26.739 -4.522 1.00 0.00 C ATOM 1065 O GLU A 70 8.713 25.538 -4.362 1.00 0.00 O ATOM 1066 CB GLU A 70 10.835 28.428 -4.136 1.00 0.00 C ATOM 1067 CG GLU A 70 11.739 28.005 -2.982 1.00 0.00 C ATOM 1068 CD GLU A 70 10.877 27.557 -1.814 1.00 0.00 C ATOM 1069 OE1 GLU A 70 10.099 28.382 -1.284 1.00 0.00 O ATOM 1070 OE2 GLU A 70 10.852 26.350 -1.510 1.00 0.00 O ATOM 0 H GLU A 70 10.587 28.826 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 70 10.946 26.419 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.390 29.117 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.991 28.982 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.396 27.195 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.378 28.835 -2.681 1.00 0.00 H new ATOM 1077 N SER A 71 7.983 27.651 -4.468 1.00 0.00 N ATOM 1078 CA SER A 71 6.619 27.328 -4.054 1.00 0.00 C ATOM 1079 C SER A 71 5.920 26.359 -5.016 1.00 0.00 C ATOM 1080 O SER A 71 5.058 25.583 -4.595 1.00 0.00 O ATOM 1081 CB SER A 71 5.822 28.623 -3.898 1.00 0.00 C ATOM 1082 OG SER A 71 5.172 28.641 -2.638 1.00 0.00 O ATOM 0 H SER A 71 8.123 28.632 -4.708 1.00 0.00 H new ATOM 0 HA SER A 71 6.671 26.811 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.487 29.482 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.086 28.706 -4.698 1.00 0.00 H new ATOM 0 HG SER A 71 5.305 29.514 -2.214 1.00 0.00 H new ATOM 1088 N LYS A 72 6.316 26.340 -6.303 1.00 0.00 N ATOM 1089 CA LYS A 72 5.756 25.405 -7.285 1.00 0.00 C ATOM 1090 C LYS A 72 6.229 23.966 -7.082 1.00 0.00 C ATOM 1091 O LYS A 72 5.473 23.039 -7.353 1.00 0.00 O ATOM 1092 CB LYS A 72 6.039 25.871 -8.720 1.00 0.00 C ATOM 1093 CG LYS A 72 4.917 25.408 -9.676 1.00 0.00 C ATOM 1094 CD LYS A 72 4.160 26.593 -10.291 1.00 0.00 C ATOM 1095 CE LYS A 72 5.029 27.334 -11.310 1.00 0.00 C ATOM 1096 NZ LYS A 72 5.039 26.620 -12.609 1.00 0.00 N ATOM 0 H LYS A 72 7.025 26.967 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 72 4.678 25.406 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.120 26.958 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.997 25.472 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.347 24.800 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.217 24.773 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.251 26.236 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.852 27.280 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.651 28.347 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.047 27.423 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.606 27.157 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.453 25.674 -12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.065 26.527 -12.962 1.00 0.00 H new ATOM 1110 N PHE A 73 7.445 23.779 -6.573 1.00 0.00 N ATOM 1111 CA PHE A 73 7.933 22.477 -6.101 1.00 0.00 C ATOM 1112 C PHE A 73 7.194 22.022 -4.833 1.00 0.00 C ATOM 1113 O PHE A 73 6.629 20.926 -4.779 1.00 0.00 O ATOM 1114 CB PHE A 73 9.451 22.582 -5.873 1.00 0.00 C ATOM 1115 CG PHE A 73 10.094 21.355 -5.261 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.961 20.099 -5.880 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.824 21.471 -4.062 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.547 18.967 -5.293 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.401 20.332 -3.473 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.250 19.076 -4.083 1.00 0.00 C ATOM 0 H PHE A 73 8.128 24.530 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 73 7.733 21.715 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.933 22.788 -6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.648 23.437 -5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.410 20.006 -6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.941 22.437 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.456 18.005 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.959 20.423 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.674 18.196 -3.622 1.00 0.00 H new ATOM 1130 N ARG A 74 7.111 22.904 -3.829 1.00 0.00 N ATOM 1131 CA ARG A 74 6.517 22.643 -2.506 1.00 0.00 C ATOM 1132 C ARG A 74 5.080 22.142 -2.558 1.00 0.00 C ATOM 1133 O ARG A 74 4.706 21.331 -1.710 1.00 0.00 O ATOM 1134 CB ARG A 74 6.636 23.915 -1.646 1.00 0.00 C ATOM 1135 CG ARG A 74 5.851 23.849 -0.316 1.00 0.00 C ATOM 1136 CD ARG A 74 6.167 24.978 0.674 1.00 0.00 C ATOM 1137 NE ARG A 74 6.303 26.297 0.021 1.00 0.00 N ATOM 1138 CZ ARG A 74 7.440 26.910 -0.255 1.00 0.00 C ATOM 1139 NH1 ARG A 74 8.594 26.413 0.062 1.00 0.00 N ATOM 1140 NH2 ARG A 74 7.445 28.045 -0.878 1.00 0.00 N ATOM 0 H ARG A 74 7.468 23.855 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 74 7.079 21.826 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.688 24.096 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.280 24.767 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.784 23.868 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.059 22.894 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.377 25.029 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.091 24.743 1.202 1.00 0.00 H new ATOM 0 HE ARG A 74 5.442 26.777 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.648 25.515 0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.448 26.919 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.565 28.475 -1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.329 28.509 -1.086 1.00 0.00 H new ATOM 1154 N LYS A 75 4.289 22.557 -3.552 1.00 0.00 N ATOM 1155 CA LYS A 75 2.926 22.085 -3.749 1.00 0.00 C ATOM 1156 C LYS A 75 2.899 20.558 -3.866 1.00 0.00 C ATOM 1157 O LYS A 75 2.093 19.891 -3.225 1.00 0.00 O ATOM 1158 CB LYS A 75 2.344 22.844 -4.942 1.00 0.00 C ATOM 1159 CG LYS A 75 2.512 22.133 -6.285 1.00 0.00 C ATOM 1160 CD LYS A 75 2.203 23.154 -7.355 1.00 0.00 C ATOM 1161 CE LYS A 75 2.132 22.455 -8.717 1.00 0.00 C ATOM 1162 NZ LYS A 75 1.602 23.344 -9.772 1.00 0.00 N ATOM 0 H LYS A 75 4.587 23.240 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 75 2.286 22.295 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.282 23.015 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.819 23.823 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.526 21.750 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.839 21.279 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.257 23.650 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.972 23.927 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.127 22.111 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.500 21.571 -8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.906 22.996 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.563 23.354 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.964 24.308 -9.628 1.00 0.00 H new ATOM 1176 N LEU A 76 3.864 20.010 -4.613 1.00 0.00 N ATOM 1177 CA LEU A 76 3.925 18.591 -4.949 1.00 0.00 C ATOM 1178 C LEU A 76 4.555 17.812 -3.813 1.00 0.00 C ATOM 1179 O LEU A 76 4.048 16.768 -3.417 1.00 0.00 O ATOM 1180 CB LEU A 76 4.696 18.434 -6.273 1.00 0.00 C ATOM 1181 CG LEU A 76 4.485 17.063 -6.952 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.425 17.195 -8.476 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.615 16.091 -6.630 1.00 0.00 C ATOM 0 H LEU A 76 4.634 20.552 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 76 2.924 18.183 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.386 19.222 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.760 18.576 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 76 3.540 16.684 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.276 16.211 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.597 17.848 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.360 17.620 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.428 15.139 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.561 16.504 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.664 15.935 -5.552 1.00 0.00 H new ATOM 1195 N VAL A 77 5.599 18.389 -3.220 1.00 0.00 N ATOM 1196 CA VAL A 77 6.193 17.805 -2.008 1.00 0.00 C ATOM 1197 C VAL A 77 5.142 17.619 -0.932 1.00 0.00 C ATOM 1198 O VAL A 77 5.023 16.538 -0.369 1.00 0.00 O ATOM 1199 CB VAL A 77 7.374 18.631 -1.473 1.00 0.00 C ATOM 1200 CG1 VAL A 77 7.895 18.128 -0.120 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.529 18.581 -2.466 1.00 0.00 C ATOM 0 H VAL A 77 6.048 19.244 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 77 6.589 16.829 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 77 7.002 19.647 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.728 18.752 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.095 18.178 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.232 17.096 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.364 19.168 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.845 17.547 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.205 18.992 -3.422 1.00 0.00 H new ATOM 1211 N THR A 78 4.332 18.644 -0.696 1.00 0.00 N ATOM 1212 CA THR A 78 3.293 18.616 0.328 1.00 0.00 C ATOM 1213 C THR A 78 2.236 17.572 0.035 1.00 0.00 C ATOM 1214 O THR A 78 1.855 16.820 0.932 1.00 0.00 O ATOM 1215 CB THR A 78 2.667 20.007 0.513 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.698 20.931 0.769 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.699 20.087 1.691 1.00 0.00 C ATOM 0 H THR A 78 4.377 19.523 -1.212 1.00 0.00 H new ATOM 0 HA THR A 78 3.769 18.331 1.266 1.00 0.00 H new ATOM 0 HB THR A 78 2.113 20.223 -0.400 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.160 21.146 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.295 21.097 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.883 19.380 1.540 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.227 19.842 2.613 1.00 0.00 H new ATOM 1225 N ALA A 79 1.831 17.447 -1.225 1.00 0.00 N ATOM 1226 CA ALA A 79 0.751 16.535 -1.581 1.00 0.00 C ATOM 1227 C ALA A 79 1.199 15.078 -1.607 1.00 0.00 C ATOM 1228 O ALA A 79 0.447 14.180 -1.230 1.00 0.00 O ATOM 1229 CB ALA A 79 0.138 16.974 -2.915 1.00 0.00 C ATOM 0 H ALA A 79 2.231 17.961 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.014 16.587 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.670 16.294 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.255 17.986 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.903 16.954 -3.691 1.00 0.00 H new ATOM 1235 N ILE A 80 2.461 14.854 -1.963 1.00 0.00 N ATOM 1236 CA ILE A 80 3.042 13.518 -1.994 1.00 0.00 C ATOM 1237 C ILE A 80 3.419 13.105 -0.572 1.00 0.00 C ATOM 1238 O ILE A 80 3.286 11.936 -0.245 1.00 0.00 O ATOM 1239 CB ILE A 80 4.227 13.462 -2.977 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.816 13.781 -4.437 1.00 0.00 C ATOM 1241 CG2 ILE A 80 4.919 12.091 -2.942 1.00 0.00 C ATOM 1242 CD1 ILE A 80 2.958 12.737 -5.158 1.00 0.00 C ATOM 0 H ILE A 80 3.108 15.593 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 80 2.313 12.797 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 80 4.920 14.234 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.273 14.726 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.724 13.935 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.750 12.085 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.294 11.898 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.204 11.316 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.740 13.081 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.498 11.791 -5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.024 12.595 -4.614 1.00 0.00 H new ATOM 1254 N LYS A 81 3.775 14.043 0.318 1.00 0.00 N ATOM 1255 CA LYS A 81 4.082 13.750 1.733 1.00 0.00 C ATOM 1256 C LYS A 81 2.844 13.221 2.435 1.00 0.00 C ATOM 1257 O LYS A 81 2.905 12.213 3.136 1.00 0.00 O ATOM 1258 CB LYS A 81 4.582 15.042 2.427 1.00 0.00 C ATOM 1259 CG LYS A 81 5.218 14.923 3.828 1.00 0.00 C ATOM 1260 CD LYS A 81 6.762 14.881 3.910 1.00 0.00 C ATOM 1261 CE LYS A 81 7.494 16.038 3.206 1.00 0.00 C ATOM 1262 NZ LYS A 81 8.953 16.029 3.500 1.00 0.00 N ATOM 0 H LYS A 81 3.859 15.031 0.079 1.00 0.00 H new ATOM 0 HA LYS A 81 4.861 12.990 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.314 15.511 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.737 15.726 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.872 15.765 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.831 14.018 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.053 14.876 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.106 13.941 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.340 15.964 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.065 16.988 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.467 16.491 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.132 16.542 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.282 15.047 3.596 1.00 0.00 H new ATOM 1276 N ALA A 82 1.730 13.907 2.202 1.00 0.00 N ATOM 1277 CA ALA A 82 0.411 13.534 2.691 1.00 0.00 C ATOM 1278 C ALA A 82 -0.034 12.195 2.095 1.00 0.00 C ATOM 1279 O ALA A 82 -0.335 11.267 2.844 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.576 14.667 2.384 1.00 0.00 C ATOM 0 H ALA A 82 1.722 14.765 1.650 1.00 0.00 H new ATOM 0 HA ALA A 82 0.443 13.393 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.567 14.395 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.246 15.581 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.617 14.832 1.307 1.00 0.00 H new ATOM 1286 N ALA A 83 0.008 12.062 0.765 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.393 10.832 0.087 1.00 0.00 C ATOM 1288 C ALA A 83 0.440 9.618 0.509 1.00 0.00 C ATOM 1289 O ALA A 83 -0.086 8.510 0.630 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.353 11.044 -1.429 1.00 0.00 C ATOM 0 H ALA A 83 0.319 12.801 0.135 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.415 10.605 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.653 10.125 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.037 11.847 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.659 11.311 -1.732 1.00 0.00 H new ATOM 1296 N LEU A 84 1.723 9.838 0.801 1.00 0.00 N ATOM 1297 CA LEU A 84 2.619 8.790 1.288 1.00 0.00 C ATOM 1298 C LEU A 84 2.149 8.268 2.639 1.00 0.00 C ATOM 1299 O LEU A 84 1.886 7.075 2.786 1.00 0.00 O ATOM 1300 CB LEU A 84 4.060 9.326 1.354 1.00 0.00 C ATOM 1301 CG LEU A 84 5.186 8.298 1.374 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.303 7.478 2.662 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.075 7.390 0.147 1.00 0.00 C ATOM 0 H LEU A 84 2.170 10.750 0.706 1.00 0.00 H new ATOM 0 HA LEU A 84 2.602 7.950 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.216 9.981 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.150 9.943 2.248 1.00 0.00 H new ATOM 0 HG LEU A 84 6.112 8.871 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.133 6.777 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.481 8.147 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.378 6.925 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.881 6.656 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.115 6.875 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.151 7.992 -0.759 1.00 0.00 H new ATOM 1315 N ALA A 85 2.005 9.171 3.608 1.00 0.00 N ATOM 1316 CA ALA A 85 1.557 8.824 4.957 1.00 0.00 C ATOM 1317 C ALA A 85 0.153 8.195 5.012 1.00 0.00 C ATOM 1318 O ALA A 85 -0.137 7.402 5.905 1.00 0.00 O ATOM 1319 CB ALA A 85 1.657 10.070 5.845 1.00 0.00 C ATOM 0 H ALA A 85 2.196 10.165 3.480 1.00 0.00 H new ATOM 0 HA ALA A 85 2.217 8.041 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.326 9.825 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.691 10.413 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.025 10.859 5.437 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.683 8.472 4.013 1.00 0.00 N ATOM 1326 CA GLN A 86 -2.000 7.853 3.835 1.00 0.00 C ATOM 1327 C GLN A 86 -1.855 6.418 3.321 1.00 0.00 C ATOM 1328 O GLN A 86 -2.346 5.464 3.920 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.883 8.717 2.911 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.369 10.004 3.602 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.148 10.915 2.654 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.600 11.603 1.810 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.459 10.971 2.752 1.00 0.00 N ATOM 0 H GLN A 86 -0.460 9.150 3.285 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.500 7.799 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.320 8.979 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.745 8.134 2.587 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.001 9.741 4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.511 10.546 3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.943 10.406 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.991 11.580 2.130 1.00 0.00 H new ATOM 1342 N CYS A 87 -1.119 6.262 2.228 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.838 4.984 1.571 1.00 0.00 C ATOM 1344 C CYS A 87 0.006 4.026 2.424 1.00 0.00 C ATOM 1345 O CYS A 87 -0.024 2.808 2.223 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.137 5.311 0.247 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.458 4.034 -0.998 1.00 0.00 S ATOM 0 H CYS A 87 -0.682 7.052 1.753 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.776 4.452 1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.483 6.277 -0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.937 5.399 0.413 1.00 0.00 H new ATOM 0 HG CYS A 87 0.149 4.345 -2.105 1.00 0.00 H new ATOM 1353 N GLN A 88 0.750 4.558 3.392 1.00 0.00 N ATOM 1354 CA GLN A 88 1.505 3.725 4.330 1.00 0.00 C ATOM 1355 C GLN A 88 0.619 2.975 5.334 1.00 0.00 C ATOM 1356 O GLN A 88 0.954 1.848 5.691 1.00 0.00 O ATOM 1357 CB GLN A 88 2.574 4.568 5.031 1.00 0.00 C ATOM 1358 CG GLN A 88 3.554 3.664 5.795 1.00 0.00 C ATOM 1359 CD GLN A 88 4.751 4.434 6.316 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.008 4.519 7.500 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.538 5.036 5.452 1.00 0.00 N ATOM 0 H GLN A 88 0.847 5.561 3.548 1.00 0.00 H new ATOM 0 HA GLN A 88 1.994 2.944 3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.116 5.163 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.101 5.267 5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.036 3.192 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.896 2.864 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.339 4.976 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.348 5.563 5.780 1.00 0.00 H new