USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 10 MET CE :methyl 152:sc= -0.203 (180deg=-0.295) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 125:sc= -2.11! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.738! C(o=-0.74!,f=-7.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 1.14 (180deg=0.682) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -62:sc= 0.159 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.74 X(o=-1.7,f=-2) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.18! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 22:sc= 0.195 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.8!) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -1.86 F(o=-4.1,f=-1.9) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -93:sc= -4.2! USER MOD Single : A 92 GLN :FLIP amide:sc= -0.294 F(o=-0.95,f=-0.29) USER MOD Single : A 99 GLN : amide:sc= -0.0295 K(o=-0.029,f=-1.6!) USER MOD Single : A 102 THR OG1 : rot -3:sc= -0.263 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.274 -0.279 5.523 1.00 0.00 N ATOM 92 CA MET A 10 -6.003 0.249 5.987 1.00 0.00 C ATOM 93 C MET A 10 -6.044 1.776 6.077 1.00 0.00 C ATOM 94 O MET A 10 -6.743 2.429 5.304 1.00 0.00 O ATOM 95 CB MET A 10 -4.892 -0.176 5.025 1.00 0.00 C ATOM 96 CG MET A 10 -3.512 0.113 5.619 1.00 0.00 C ATOM 97 SD MET A 10 -3.021 -1.221 6.699 1.00 0.00 S ATOM 98 CE MET A 10 -2.417 -0.285 8.094 1.00 0.00 C ATOM 0 HA MET A 10 -5.806 -0.150 6.982 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.982 -1.240 4.807 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.003 0.354 4.079 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.781 0.233 4.820 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.535 1.051 6.173 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.536 -0.872 9.005 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.362 -0.053 7.947 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.983 0.642 8.183 1.00 0.00 H new ATOM 108 N SER A 11 -5.285 2.301 7.028 1.00 0.00 N ATOM 109 CA SER A 11 -5.226 3.739 7.230 1.00 0.00 C ATOM 110 C SER A 11 -4.120 4.082 8.231 1.00 0.00 C ATOM 111 O SER A 11 -3.615 3.203 8.928 1.00 0.00 O ATOM 112 CB SER A 11 -6.570 4.283 7.717 1.00 0.00 C ATOM 113 OG SER A 11 -6.757 4.070 9.114 1.00 0.00 O ATOM 0 H SER A 11 -4.706 1.756 7.667 1.00 0.00 H new ATOM 0 HA SER A 11 -5.000 4.209 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.629 5.350 7.502 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.377 3.802 7.165 1.00 0.00 H new ATOM 0 HG SER A 11 -7.626 4.433 9.387 1.00 0.00 H new ATOM 119 N GLY A 12 -3.778 5.361 8.270 1.00 0.00 N ATOM 120 CA GLY A 12 -2.742 5.831 9.174 1.00 0.00 C ATOM 121 C GLY A 12 -1.829 6.845 8.482 1.00 0.00 C ATOM 122 O GLY A 12 -1.599 6.758 7.276 1.00 0.00 O ATOM 0 H GLY A 12 -4.200 6.087 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.200 6.288 10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.151 4.986 9.527 1.00 0.00 H new ATOM 126 N TYR A 13 -1.333 7.784 9.274 1.00 0.00 N ATOM 127 CA TYR A 13 -0.450 8.814 8.753 1.00 0.00 C ATOM 128 C TYR A 13 0.852 8.205 8.227 1.00 0.00 C ATOM 129 O TYR A 13 1.407 7.294 8.839 1.00 0.00 O ATOM 130 CB TYR A 13 -0.129 9.732 9.934 1.00 0.00 C ATOM 131 CG TYR A 13 -1.183 10.812 10.186 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.413 11.787 9.237 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.904 10.810 11.363 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.405 12.803 9.475 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.896 11.827 11.601 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.098 12.773 10.645 1.00 0.00 C ATOM 137 OH TYR A 13 -4.035 13.733 10.870 1.00 0.00 O ATOM 0 H TYR A 13 -1.526 7.853 10.273 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.925 9.345 7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.022 9.126 10.834 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.833 10.212 9.757 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.849 11.788 8.316 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.724 10.046 12.105 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.595 13.572 8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.466 11.838 12.518 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.451 13.586 11.745 1.00 0.00 H new ATOM 147 N LEU A 14 1.301 8.734 7.098 1.00 0.00 N ATOM 148 CA LEU A 14 2.527 8.254 6.483 1.00 0.00 C ATOM 149 C LEU A 14 3.301 9.441 5.906 1.00 0.00 C ATOM 150 O LEU A 14 2.888 10.590 6.059 1.00 0.00 O ATOM 151 CB LEU A 14 2.220 7.163 5.455 1.00 0.00 C ATOM 152 CG LEU A 14 1.440 5.953 5.975 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.936 5.088 4.818 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.278 5.147 6.970 1.00 0.00 C ATOM 0 H LEU A 14 0.838 9.490 6.593 1.00 0.00 H new ATOM 0 HA LEU A 14 3.169 7.785 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.655 7.610 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.162 6.810 5.036 1.00 0.00 H new ATOM 0 HG LEU A 14 0.564 6.316 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.385 4.235 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.279 5.680 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.784 4.732 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.701 4.293 7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.185 4.794 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.546 5.780 7.816 1.00 0.00 H new ATOM 166 N TYR A 15 4.410 9.123 5.255 1.00 0.00 N ATOM 167 CA TYR A 15 5.246 10.149 4.654 1.00 0.00 C ATOM 168 C TYR A 15 5.600 9.792 3.209 1.00 0.00 C ATOM 169 O TYR A 15 6.232 8.768 2.956 1.00 0.00 O ATOM 170 CB TYR A 15 6.529 10.187 5.486 1.00 0.00 C ATOM 171 CG TYR A 15 6.304 10.513 6.964 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.857 11.766 7.334 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.547 9.555 7.927 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.645 12.073 8.724 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.334 9.862 9.318 1.00 0.00 C ATOM 176 CZ TYR A 15 5.894 11.106 9.648 1.00 0.00 C ATOM 177 OH TYR A 15 5.693 11.396 10.961 1.00 0.00 O ATOM 0 H TYR A 15 4.749 8.169 5.130 1.00 0.00 H new ATOM 0 HA TYR A 15 4.727 11.107 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.028 9.221 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.204 10.929 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.666 12.516 6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.897 8.575 7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.296 13.049 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.519 9.121 10.082 1.00 0.00 H new ATOM 0 HH TYR A 15 5.910 10.611 11.506 1.00 0.00 H new ATOM 187 N ARG A 16 5.175 10.656 2.299 1.00 0.00 N ATOM 188 CA ARG A 16 5.439 10.445 0.886 1.00 0.00 C ATOM 189 C ARG A 16 6.733 11.152 0.476 1.00 0.00 C ATOM 190 O ARG A 16 6.835 12.373 0.576 1.00 0.00 O ATOM 191 CB ARG A 16 4.286 10.967 0.026 1.00 0.00 C ATOM 192 CG ARG A 16 4.214 10.218 -1.306 1.00 0.00 C ATOM 193 CD ARG A 16 3.093 10.775 -2.187 1.00 0.00 C ATOM 194 NE ARG A 16 1.924 9.869 -2.152 1.00 0.00 N ATOM 195 CZ ARG A 16 0.991 9.808 -3.112 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.086 10.599 -4.189 1.00 0.00 N ATOM 197 NH2 ARG A 16 -0.036 8.955 -2.996 1.00 0.00 N ATOM 0 H ARG A 16 4.650 11.504 2.513 1.00 0.00 H new ATOM 0 HA ARG A 16 5.541 9.372 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.345 10.851 0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.419 12.033 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.168 10.303 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.044 9.157 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.805 11.767 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.446 10.887 -3.212 1.00 0.00 H new ATOM 0 HE ARG A 16 1.822 9.252 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.868 11.247 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.376 10.553 -4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.108 8.352 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.746 8.909 -3.727 1.00 0.00 H new ATOM 211 N SER A 17 7.688 10.353 0.023 1.00 0.00 N ATOM 212 CA SER A 17 8.971 10.887 -0.402 1.00 0.00 C ATOM 213 C SER A 17 9.272 10.444 -1.835 1.00 0.00 C ATOM 214 O SER A 17 9.188 9.259 -2.154 1.00 0.00 O ATOM 215 CB SER A 17 10.092 10.441 0.538 1.00 0.00 C ATOM 216 OG SER A 17 10.227 11.310 1.659 1.00 0.00 O ATOM 0 H SER A 17 7.599 9.340 -0.059 1.00 0.00 H new ATOM 0 HA SER A 17 8.917 11.975 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.891 9.428 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.033 10.408 -0.011 1.00 0.00 H new ATOM 0 HG SER A 17 10.167 10.788 2.486 1.00 0.00 H new ATOM 222 N LYS A 18 9.617 11.421 -2.662 1.00 0.00 N ATOM 223 CA LYS A 18 9.932 11.147 -4.054 1.00 0.00 C ATOM 224 C LYS A 18 11.269 10.408 -4.134 1.00 0.00 C ATOM 225 O LYS A 18 11.655 9.931 -5.200 1.00 0.00 O ATOM 226 CB LYS A 18 9.892 12.437 -4.876 1.00 0.00 C ATOM 227 CG LYS A 18 8.454 12.803 -5.251 1.00 0.00 C ATOM 228 CD LYS A 18 7.668 13.266 -4.023 1.00 0.00 C ATOM 229 CE LYS A 18 6.637 14.331 -4.401 1.00 0.00 C ATOM 230 NZ LYS A 18 6.760 15.509 -3.513 1.00 0.00 N ATOM 0 H LYS A 18 9.685 12.403 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 18 9.179 10.493 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.341 13.250 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.488 12.315 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.460 13.593 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.961 11.941 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.165 12.414 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.354 13.668 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.781 14.633 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.632 13.915 -4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.053 16.223 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.600 15.219 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.713 15.914 -3.604 1.00 0.00 H new ATOM 244 N GLY A 19 11.938 10.336 -2.993 1.00 0.00 N ATOM 245 CA GLY A 19 13.224 9.663 -2.921 1.00 0.00 C ATOM 246 C GLY A 19 13.626 9.403 -1.468 1.00 0.00 C ATOM 247 O GLY A 19 12.769 9.195 -0.610 1.00 0.00 O ATOM 0 H GLY A 19 11.614 10.732 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.175 8.719 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.985 10.272 -3.409 1.00 0.00 H new ATOM 251 N SER A 20 14.931 9.425 -1.235 1.00 0.00 N ATOM 252 CA SER A 20 15.457 9.194 0.099 1.00 0.00 C ATOM 253 C SER A 20 16.041 10.492 0.662 1.00 0.00 C ATOM 254 O SER A 20 15.679 10.915 1.759 1.00 0.00 O ATOM 255 CB SER A 20 16.520 8.094 0.090 1.00 0.00 C ATOM 256 OG SER A 20 15.976 6.824 0.440 1.00 0.00 O ATOM 0 H SER A 20 15.639 9.599 -1.948 1.00 0.00 H new ATOM 0 HA SER A 20 14.638 8.864 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.972 8.035 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.316 8.353 0.789 1.00 0.00 H new ATOM 0 HG SER A 20 16.685 6.148 0.421 1.00 0.00 H new ATOM 262 N LYS A 21 16.936 11.086 -0.114 1.00 0.00 N ATOM 263 CA LYS A 21 17.573 12.326 0.294 1.00 0.00 C ATOM 264 C LYS A 21 16.563 13.471 0.194 1.00 0.00 C ATOM 265 O LYS A 21 16.858 14.599 0.586 1.00 0.00 O ATOM 266 CB LYS A 21 18.851 12.562 -0.514 1.00 0.00 C ATOM 267 CG LYS A 21 19.960 11.601 -0.080 1.00 0.00 C ATOM 268 CD LYS A 21 21.341 12.226 -0.290 1.00 0.00 C ATOM 269 CE LYS A 21 22.276 11.891 0.874 1.00 0.00 C ATOM 270 NZ LYS A 21 23.097 10.702 0.554 1.00 0.00 N ATOM 0 H LYS A 21 17.235 10.731 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 21 17.887 12.268 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.644 12.428 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.184 13.591 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.830 11.341 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.886 10.674 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.771 11.862 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.244 13.308 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.924 12.742 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.692 11.705 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.726 10.489 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 22.475 9.888 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.668 10.893 -0.294 1.00 0.00 H new ATOM 284 N LYS A 22 15.393 13.141 -0.332 1.00 0.00 N ATOM 285 CA LYS A 22 14.337 14.127 -0.488 1.00 0.00 C ATOM 286 C LYS A 22 13.624 14.320 0.852 1.00 0.00 C ATOM 287 O LYS A 22 13.645 13.433 1.704 1.00 0.00 O ATOM 288 CB LYS A 22 13.401 13.734 -1.632 1.00 0.00 C ATOM 289 CG LYS A 22 13.956 14.201 -2.979 1.00 0.00 C ATOM 290 CD LYS A 22 13.423 15.589 -3.341 1.00 0.00 C ATOM 291 CE LYS A 22 13.747 15.939 -4.795 1.00 0.00 C ATOM 292 NZ LYS A 22 13.916 17.401 -4.950 1.00 0.00 N ATOM 0 H LYS A 22 15.153 12.204 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 22 14.756 15.093 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.270 12.652 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.417 14.173 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.045 14.225 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.681 13.488 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.344 15.620 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.861 16.335 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.658 15.427 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.947 15.588 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.135 17.622 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.037 17.883 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.695 17.727 -4.343 1.00 0.00 H new ATOM 306 N PRO A 23 12.993 15.516 1.000 1.00 0.00 N ATOM 307 CA PRO A 23 12.275 15.837 2.222 1.00 0.00 C ATOM 308 C PRO A 23 10.943 15.087 2.287 1.00 0.00 C ATOM 309 O PRO A 23 10.161 15.118 1.338 1.00 0.00 O ATOM 310 CB PRO A 23 12.105 17.347 2.194 1.00 0.00 C ATOM 311 CG PRO A 23 12.320 17.764 0.748 1.00 0.00 C ATOM 312 CD PRO A 23 12.948 16.590 0.013 1.00 0.00 C ATOM 0 HA PRO A 23 12.811 15.527 3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.112 17.635 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.825 17.833 2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.373 18.041 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.968 18.639 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.356 16.304 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.946 16.837 -0.349 1.00 0.00 H new ATOM 320 N TRP A 24 10.724 14.431 3.418 1.00 0.00 N ATOM 321 CA TRP A 24 9.500 13.674 3.619 1.00 0.00 C ATOM 322 C TRP A 24 8.344 14.669 3.736 1.00 0.00 C ATOM 323 O TRP A 24 8.555 15.836 4.060 1.00 0.00 O ATOM 324 CB TRP A 24 9.620 12.751 4.834 1.00 0.00 C ATOM 325 CG TRP A 24 10.649 11.631 4.665 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.935 11.628 5.040 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.423 10.341 4.058 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.553 10.436 4.721 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.604 9.628 4.105 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.259 9.794 3.489 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.736 8.330 3.599 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.408 8.495 2.988 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.590 7.765 3.027 1.00 0.00 C ATOM 0 H TRP A 24 11.374 14.408 4.204 1.00 0.00 H new ATOM 0 HA TRP A 24 9.309 13.016 2.771 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.888 13.348 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.645 12.307 5.038 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.427 12.455 5.531 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.527 10.193 4.904 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.324 10.333 3.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.672 7.793 3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.544 8.028 2.540 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.624 6.766 2.618 1.00 0.00 H new ATOM 344 N LYS A 25 7.146 14.169 3.467 1.00 0.00 N ATOM 345 CA LYS A 25 5.956 14.999 3.538 1.00 0.00 C ATOM 346 C LYS A 25 4.866 14.255 4.312 1.00 0.00 C ATOM 347 O LYS A 25 4.445 13.171 3.910 1.00 0.00 O ATOM 348 CB LYS A 25 5.525 15.439 2.137 1.00 0.00 C ATOM 349 CG LYS A 25 6.069 16.830 1.807 1.00 0.00 C ATOM 350 CD LYS A 25 4.994 17.697 1.149 1.00 0.00 C ATOM 351 CE LYS A 25 5.540 19.087 0.813 1.00 0.00 C ATOM 352 NZ LYS A 25 4.608 20.137 1.281 1.00 0.00 N ATOM 0 H LYS A 25 6.975 13.200 3.200 1.00 0.00 H new ATOM 0 HA LYS A 25 6.165 15.918 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.883 14.720 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.437 15.446 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.422 17.312 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.927 16.740 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.638 17.213 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.138 17.790 1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.515 19.224 1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.687 19.176 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.994 21.074 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.686 20.015 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.489 20.061 2.311 1.00 0.00 H new ATOM 366 N HIS A 26 4.440 14.867 5.407 1.00 0.00 N ATOM 367 CA HIS A 26 3.407 14.276 6.241 1.00 0.00 C ATOM 368 C HIS A 26 2.058 14.363 5.525 1.00 0.00 C ATOM 369 O HIS A 26 1.565 15.457 5.252 1.00 0.00 O ATOM 370 CB HIS A 26 3.387 14.927 7.625 1.00 0.00 C ATOM 371 CG HIS A 26 2.142 14.629 8.426 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.171 15.581 8.684 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.720 13.477 9.022 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.213 15.016 9.405 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.556 13.713 9.613 1.00 0.00 N ATOM 0 H HIS A 26 4.791 15.766 5.736 1.00 0.00 H new ATOM 0 HA HIS A 26 3.626 13.221 6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.258 14.589 8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.482 16.007 7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.244 12.533 9.014 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.682 15.502 9.764 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.007 13.031 10.137 1.00 0.00 H new ATOM 383 N LEU A 27 1.498 13.196 5.241 1.00 0.00 N ATOM 384 CA LEU A 27 0.215 13.126 4.562 1.00 0.00 C ATOM 385 C LEU A 27 -0.579 11.936 5.103 1.00 0.00 C ATOM 386 O LEU A 27 -0.044 11.114 5.846 1.00 0.00 O ATOM 387 CB LEU A 27 0.413 13.096 3.046 1.00 0.00 C ATOM 388 CG LEU A 27 0.671 14.447 2.375 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.773 14.333 1.320 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.620 15.028 1.796 1.00 0.00 C ATOM 0 H LEU A 27 1.910 12.291 5.469 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.374 14.021 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.251 12.436 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.473 12.651 2.593 1.00 0.00 H new ATOM 0 HG LEU A 27 1.024 15.144 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.937 15.307 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.696 13.996 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.473 13.615 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.408 15.988 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.027 14.342 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.347 15.169 2.596 1.00 0.00 H new ATOM 402 N TRP A 28 -1.843 11.881 4.710 1.00 0.00 N ATOM 403 CA TRP A 28 -2.717 10.805 5.146 1.00 0.00 C ATOM 404 C TRP A 28 -3.174 10.035 3.905 1.00 0.00 C ATOM 405 O TRP A 28 -3.446 10.632 2.865 1.00 0.00 O ATOM 406 CB TRP A 28 -3.882 11.347 5.976 1.00 0.00 C ATOM 407 CG TRP A 28 -4.883 10.277 6.416 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.004 9.889 5.791 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.809 9.468 7.609 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.654 8.894 6.492 1.00 0.00 N ATOM 411 CE2 TRP A 28 -5.904 8.629 7.632 1.00 0.00 C ATOM 412 CE3 TRP A 28 -3.847 9.445 8.634 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.142 7.707 8.658 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.099 8.518 9.652 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.197 7.667 9.690 1.00 0.00 C ATOM 0 H TRP A 28 -2.283 12.565 4.094 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.185 10.119 5.805 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.484 11.844 6.861 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.408 12.105 5.395 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.354 10.303 4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.525 8.437 6.223 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.982 10.092 8.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.008 7.061 8.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.390 8.460 10.465 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.321 6.978 10.512 1.00 0.00 H new ATOM 426 N PHE A 29 -3.244 8.721 4.056 1.00 0.00 N ATOM 427 CA PHE A 29 -3.664 7.863 2.961 1.00 0.00 C ATOM 428 C PHE A 29 -4.639 6.789 3.448 1.00 0.00 C ATOM 429 O PHE A 29 -4.674 6.470 4.636 1.00 0.00 O ATOM 430 CB PHE A 29 -2.405 7.183 2.418 1.00 0.00 C ATOM 431 CG PHE A 29 -1.350 8.157 1.890 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.412 8.595 0.604 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.351 8.585 2.707 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.433 9.500 0.114 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.629 9.490 2.217 1.00 0.00 C ATOM 436 CZ PHE A 29 0.567 9.928 0.931 1.00 0.00 C ATOM 0 H PHE A 29 -3.017 8.229 4.920 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.169 8.455 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.962 6.577 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.690 6.502 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.206 8.255 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.302 8.237 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.483 9.848 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.423 9.830 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.312 10.616 0.558 1.00 0.00 H new ATOM 446 N VAL A 30 -5.407 6.262 2.506 1.00 0.00 N ATOM 447 CA VAL A 30 -6.380 5.231 2.824 1.00 0.00 C ATOM 448 C VAL A 30 -6.605 4.351 1.593 1.00 0.00 C ATOM 449 O VAL A 30 -6.279 4.746 0.475 1.00 0.00 O ATOM 450 CB VAL A 30 -7.669 5.870 3.346 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.819 4.861 3.350 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.459 6.469 4.738 1.00 0.00 C ATOM 0 H VAL A 30 -5.375 6.530 1.522 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.007 4.587 3.620 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.939 6.681 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.723 5.341 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.993 4.503 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.562 4.019 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.390 6.917 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.153 5.684 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.684 7.234 4.692 1.00 0.00 H new ATOM 462 N ILE A 31 -7.162 3.174 1.840 1.00 0.00 N ATOM 463 CA ILE A 31 -7.435 2.235 0.766 1.00 0.00 C ATOM 464 C ILE A 31 -8.916 1.851 0.793 1.00 0.00 C ATOM 465 O ILE A 31 -9.304 0.906 1.478 1.00 0.00 O ATOM 466 CB ILE A 31 -6.488 1.036 0.849 1.00 0.00 C ATOM 467 CG1 ILE A 31 -5.070 1.427 0.428 1.00 0.00 C ATOM 468 CG2 ILE A 31 -7.023 -0.143 0.033 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.041 0.440 0.983 1.00 0.00 C ATOM 0 H ILE A 31 -7.432 2.850 2.769 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.243 2.698 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.438 0.712 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.004 1.453 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.845 2.432 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.331 -0.982 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.998 -0.440 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.122 0.152 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.042 0.741 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.093 0.434 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.254 -0.560 0.604 1.00 0.00 H new ATOM 481 N LYS A 32 -9.703 2.605 0.040 1.00 0.00 N ATOM 482 CA LYS A 32 -11.133 2.356 -0.031 1.00 0.00 C ATOM 483 C LYS A 32 -11.399 1.207 -1.007 1.00 0.00 C ATOM 484 O LYS A 32 -11.425 0.044 -0.609 1.00 0.00 O ATOM 485 CB LYS A 32 -11.884 3.643 -0.377 1.00 0.00 C ATOM 486 CG LYS A 32 -13.292 3.335 -0.892 1.00 0.00 C ATOM 487 CD LYS A 32 -14.286 4.410 -0.449 1.00 0.00 C ATOM 488 CE LYS A 32 -14.334 5.560 -1.456 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.707 5.730 -1.983 1.00 0.00 N ATOM 0 H LYS A 32 -9.378 3.389 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.514 2.043 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.947 4.280 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.330 4.199 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.279 3.273 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.614 2.362 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.279 3.972 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.001 4.792 0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.004 6.483 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.645 5.362 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.722 6.515 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.008 4.854 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.356 5.941 -1.198 1.00 0.00 H new ATOM 503 N ASN A 33 -11.588 1.575 -2.266 1.00 0.00 N ATOM 504 CA ASN A 33 -11.851 0.589 -3.301 1.00 0.00 C ATOM 505 C ASN A 33 -10.574 0.353 -4.110 1.00 0.00 C ATOM 506 O ASN A 33 -10.426 0.880 -5.211 1.00 0.00 O ATOM 507 CB ASN A 33 -12.936 1.077 -4.263 1.00 0.00 C ATOM 508 CG ASN A 33 -13.023 0.174 -5.495 1.00 0.00 C ATOM 509 OD1 ASN A 33 -12.685 -0.998 -5.463 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.493 0.783 -6.580 1.00 0.00 N ATOM 0 H ASN A 33 -11.564 2.541 -2.593 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.184 -0.329 -2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.899 1.095 -3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.720 2.100 -4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.589 0.266 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.758 1.767 -6.538 1.00 0.00 H new ATOM 517 N LYS A 34 -9.683 -0.440 -3.531 1.00 0.00 N ATOM 518 CA LYS A 34 -8.423 -0.752 -4.184 1.00 0.00 C ATOM 519 C LYS A 34 -7.849 0.520 -4.810 1.00 0.00 C ATOM 520 O LYS A 34 -7.179 0.462 -5.840 1.00 0.00 O ATOM 521 CB LYS A 34 -8.606 -1.899 -5.180 1.00 0.00 C ATOM 522 CG LYS A 34 -7.925 -3.174 -4.680 1.00 0.00 C ATOM 523 CD LYS A 34 -7.948 -4.265 -5.752 1.00 0.00 C ATOM 524 CE LYS A 34 -7.988 -5.657 -5.117 1.00 0.00 C ATOM 525 NZ LYS A 34 -7.813 -6.703 -6.149 1.00 0.00 N ATOM 0 H LYS A 34 -9.809 -0.875 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.694 -1.106 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.669 -2.086 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.190 -1.616 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.894 -2.955 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.429 -3.531 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.818 -4.130 -6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.066 -4.176 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.202 -5.743 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.938 -5.801 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.261 -7.585 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.256 -6.392 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.798 -6.868 -6.308 1.00 0.00 H new ATOM 539 N VAL A 35 -8.132 1.640 -4.162 1.00 0.00 N ATOM 540 CA VAL A 35 -7.652 2.925 -4.642 1.00 0.00 C ATOM 541 C VAL A 35 -6.986 3.679 -3.489 1.00 0.00 C ATOM 542 O VAL A 35 -7.581 3.844 -2.425 1.00 0.00 O ATOM 543 CB VAL A 35 -8.800 3.706 -5.283 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.335 5.092 -5.735 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.410 2.926 -6.449 1.00 0.00 C ATOM 0 H VAL A 35 -8.688 1.685 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.899 2.786 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.575 3.842 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.170 5.626 -6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.969 5.652 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.533 4.986 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.224 3.504 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.646 2.745 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.795 1.973 -6.087 1.00 0.00 H new ATOM 555 N LEU A 36 -5.761 4.117 -3.739 1.00 0.00 N ATOM 556 CA LEU A 36 -5.008 4.849 -2.735 1.00 0.00 C ATOM 557 C LEU A 36 -5.440 6.317 -2.751 1.00 0.00 C ATOM 558 O LEU A 36 -4.952 7.103 -3.561 1.00 0.00 O ATOM 559 CB LEU A 36 -3.505 4.649 -2.940 1.00 0.00 C ATOM 560 CG LEU A 36 -2.594 5.280 -1.885 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.549 6.801 -2.040 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.015 4.859 -0.476 1.00 0.00 C ATOM 0 H LEU A 36 -5.271 3.979 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.225 4.462 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.302 3.579 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.234 5.055 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.581 4.910 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.895 7.225 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.167 7.055 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.553 7.208 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.352 5.321 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.040 5.181 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.954 3.774 -0.387 1.00 0.00 H new ATOM 574 N TYR A 37 -6.352 6.642 -1.845 1.00 0.00 N ATOM 575 CA TYR A 37 -6.855 8.001 -1.744 1.00 0.00 C ATOM 576 C TYR A 37 -5.942 8.860 -0.867 1.00 0.00 C ATOM 577 O TYR A 37 -5.636 8.490 0.265 1.00 0.00 O ATOM 578 CB TYR A 37 -8.229 7.894 -1.079 1.00 0.00 C ATOM 579 CG TYR A 37 -9.367 7.575 -2.050 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.803 8.535 -2.941 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.958 6.328 -2.036 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.875 8.234 -3.855 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.029 6.028 -2.950 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.435 6.996 -3.814 1.00 0.00 C ATOM 585 OH TYR A 37 -12.447 6.712 -4.677 1.00 0.00 O ATOM 0 H TYR A 37 -6.755 5.987 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.902 8.467 -2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.191 7.120 -0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.450 8.833 -0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.341 9.511 -2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.617 5.577 -1.339 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.226 8.976 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.499 5.056 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.749 5.791 -4.535 1.00 0.00 H new ATOM 595 N THR A 38 -5.534 9.991 -1.423 1.00 0.00 N ATOM 596 CA THR A 38 -4.662 10.906 -0.705 1.00 0.00 C ATOM 597 C THR A 38 -5.483 11.815 0.212 1.00 0.00 C ATOM 598 O THR A 38 -6.676 12.015 -0.011 1.00 0.00 O ATOM 599 CB THR A 38 -3.831 11.673 -1.735 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.803 10.757 -2.103 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.076 12.852 -1.117 1.00 0.00 C ATOM 0 H THR A 38 -5.791 10.295 -2.362 1.00 0.00 H new ATOM 0 HA THR A 38 -3.977 10.368 -0.049 1.00 0.00 H new ATOM 0 HB THR A 38 -4.483 12.036 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.257 10.546 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.502 13.362 -1.891 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.788 13.548 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.399 12.486 -0.345 1.00 0.00 H new ATOM 609 N TYR A 39 -4.811 12.341 1.226 1.00 0.00 N ATOM 610 CA TYR A 39 -5.463 13.224 2.178 1.00 0.00 C ATOM 611 C TYR A 39 -4.452 14.170 2.829 1.00 0.00 C ATOM 612 O TYR A 39 -3.289 14.211 2.432 1.00 0.00 O ATOM 613 CB TYR A 39 -6.061 12.316 3.254 1.00 0.00 C ATOM 614 CG TYR A 39 -7.291 11.532 2.794 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.523 12.151 2.741 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.169 10.206 2.432 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.682 11.414 2.308 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.327 9.468 1.999 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.527 10.108 1.958 1.00 0.00 C ATOM 620 OH TYR A 39 -10.621 9.412 1.549 1.00 0.00 O ATOM 0 H TYR A 39 -3.822 12.172 1.409 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.216 13.835 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.298 11.612 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.332 12.923 4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.618 13.189 3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.205 9.722 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.652 11.887 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.245 8.430 1.713 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.361 8.493 1.330 1.00 0.00 H new ATOM 630 N ALA A 40 -4.933 14.908 3.819 1.00 0.00 N ATOM 631 CA ALA A 40 -4.086 15.851 4.530 1.00 0.00 C ATOM 632 C ALA A 40 -4.218 15.614 6.036 1.00 0.00 C ATOM 633 O ALA A 40 -3.219 15.587 6.753 1.00 0.00 O ATOM 634 CB ALA A 40 -4.463 17.278 4.128 1.00 0.00 C ATOM 0 H ALA A 40 -5.899 14.872 4.146 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.039 15.703 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.828 17.986 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.323 17.402 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.507 17.464 4.382 1.00 0.00 H new ATOM 640 N ALA A 41 -5.459 15.450 6.470 1.00 0.00 N ATOM 641 CA ALA A 41 -5.734 15.216 7.877 1.00 0.00 C ATOM 642 C ALA A 41 -6.284 13.799 8.057 1.00 0.00 C ATOM 643 O ALA A 41 -6.353 13.031 7.099 1.00 0.00 O ATOM 644 CB ALA A 41 -6.700 16.285 8.393 1.00 0.00 C ATOM 0 H ALA A 41 -6.285 15.475 5.872 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.819 15.292 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.907 16.110 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.251 17.271 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.631 16.237 7.828 1.00 0.00 H new ATOM 688 N VAL A 45 -12.309 16.481 4.937 1.00 0.00 N ATOM 689 CA VAL A 45 -13.612 16.576 4.301 1.00 0.00 C ATOM 690 C VAL A 45 -13.615 15.730 3.026 1.00 0.00 C ATOM 691 O VAL A 45 -14.640 15.158 2.659 1.00 0.00 O ATOM 692 CB VAL A 45 -13.965 18.043 4.047 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.585 18.681 5.291 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.738 18.829 3.581 1.00 0.00 C ATOM 0 HA VAL A 45 -14.387 16.179 4.956 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.707 18.076 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.826 19.723 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.495 18.144 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.876 18.630 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.016 19.869 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.964 18.783 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.358 18.396 2.656 1.00 0.00 H new ATOM 704 N ALA A 46 -12.456 15.679 2.386 1.00 0.00 N ATOM 705 CA ALA A 46 -12.312 14.913 1.159 1.00 0.00 C ATOM 706 C ALA A 46 -10.840 14.546 0.962 1.00 0.00 C ATOM 707 O ALA A 46 -9.994 14.894 1.784 1.00 0.00 O ATOM 708 CB ALA A 46 -12.875 15.717 -0.014 1.00 0.00 C ATOM 0 H ALA A 46 -11.608 16.155 2.694 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.878 13.983 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.767 15.143 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.930 15.926 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.330 16.656 -0.107 1.00 0.00 H new ATOM 714 N ALA A 47 -10.579 13.846 -0.133 1.00 0.00 N ATOM 715 CA ALA A 47 -9.224 13.428 -0.448 1.00 0.00 C ATOM 716 C ALA A 47 -8.585 14.451 -1.390 1.00 0.00 C ATOM 717 O ALA A 47 -9.265 15.029 -2.237 1.00 0.00 O ATOM 718 CB ALA A 47 -9.250 12.021 -1.048 1.00 0.00 C ATOM 0 H ALA A 47 -11.283 13.558 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.616 13.386 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.233 11.707 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.686 11.327 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.849 12.025 -1.958 1.00 0.00 H new ATOM 724 N LEU A 48 -7.287 14.643 -1.211 1.00 0.00 N ATOM 725 CA LEU A 48 -6.549 15.586 -2.034 1.00 0.00 C ATOM 726 C LEU A 48 -6.417 15.025 -3.451 1.00 0.00 C ATOM 727 O LEU A 48 -6.559 15.757 -4.428 1.00 0.00 O ATOM 728 CB LEU A 48 -5.209 15.933 -1.382 1.00 0.00 C ATOM 729 CG LEU A 48 -5.273 16.406 0.072 1.00 0.00 C ATOM 730 CD1 LEU A 48 -3.900 16.878 0.556 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.345 17.482 0.252 1.00 0.00 C ATOM 0 H LEU A 48 -6.727 14.161 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.091 16.528 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.566 15.054 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.729 16.711 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.560 15.558 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.973 17.209 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.188 16.056 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.560 17.706 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.369 17.800 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.113 18.337 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.318 17.077 -0.026 1.00 0.00 H new ATOM 743 N GLU A 49 -6.145 13.729 -3.517 1.00 0.00 N ATOM 744 CA GLU A 49 -5.992 13.061 -4.798 1.00 0.00 C ATOM 745 C GLU A 49 -6.507 11.623 -4.712 1.00 0.00 C ATOM 746 O GLU A 49 -6.722 11.102 -3.618 1.00 0.00 O ATOM 747 CB GLU A 49 -4.535 13.095 -5.263 1.00 0.00 C ATOM 748 CG GLU A 49 -4.126 14.507 -5.686 1.00 0.00 C ATOM 749 CD GLU A 49 -4.697 14.854 -7.063 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.837 15.367 -7.092 1.00 0.00 O ATOM 751 OE2 GLU A 49 -3.981 14.597 -8.055 1.00 0.00 O ATOM 0 H GLU A 49 -6.027 13.125 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.588 13.595 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.885 12.750 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.400 12.408 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.480 15.228 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.039 14.583 -5.709 1.00 0.00 H new ATOM 758 N SER A 50 -6.690 11.023 -5.878 1.00 0.00 N ATOM 759 CA SER A 50 -7.176 9.656 -5.949 1.00 0.00 C ATOM 760 C SER A 50 -6.467 8.906 -7.078 1.00 0.00 C ATOM 761 O SER A 50 -6.334 9.426 -8.185 1.00 0.00 O ATOM 762 CB SER A 50 -8.691 9.619 -6.156 1.00 0.00 C ATOM 763 OG SER A 50 -9.188 10.849 -6.678 1.00 0.00 O ATOM 0 H SER A 50 -6.510 11.459 -6.782 1.00 0.00 H new ATOM 0 HA SER A 50 -6.955 9.166 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.944 8.807 -6.838 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.182 9.403 -5.207 1.00 0.00 H new ATOM 0 HG SER A 50 -10.159 10.785 -6.798 1.00 0.00 H new ATOM 769 N GLN A 51 -6.032 7.695 -6.760 1.00 0.00 N ATOM 770 CA GLN A 51 -5.340 6.869 -7.734 1.00 0.00 C ATOM 771 C GLN A 51 -5.489 5.389 -7.376 1.00 0.00 C ATOM 772 O GLN A 51 -5.293 5.003 -6.224 1.00 0.00 O ATOM 773 CB GLN A 51 -3.866 7.262 -7.839 1.00 0.00 C ATOM 774 CG GLN A 51 -3.269 6.802 -9.171 1.00 0.00 C ATOM 775 CD GLN A 51 -3.864 7.589 -10.340 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.245 8.741 -10.217 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.924 6.903 -11.479 1.00 0.00 N ATOM 0 H GLN A 51 -6.146 7.267 -5.841 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.796 7.034 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.767 8.344 -7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.308 6.819 -7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.187 6.933 -9.153 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.459 5.738 -9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.587 5.941 -11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.307 7.340 -12.318 1.00 0.00 H new ATOM 786 N PRO A 52 -5.842 4.579 -8.410 1.00 0.00 N ATOM 787 CA PRO A 52 -6.019 3.150 -8.215 1.00 0.00 C ATOM 788 C PRO A 52 -4.668 2.444 -8.079 1.00 0.00 C ATOM 789 O PRO A 52 -3.651 2.946 -8.554 1.00 0.00 O ATOM 790 CB PRO A 52 -6.814 2.684 -9.423 1.00 0.00 C ATOM 791 CG PRO A 52 -6.653 3.771 -10.473 1.00 0.00 C ATOM 792 CD PRO A 52 -6.083 5.001 -9.787 1.00 0.00 C ATOM 0 HA PRO A 52 -6.548 2.913 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.441 1.728 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.864 2.540 -9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.989 3.436 -11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.613 4.002 -10.934 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.162 5.331 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.781 5.837 -9.829 1.00 0.00 H new ATOM 800 N LEU A 53 -4.702 1.291 -7.427 1.00 0.00 N ATOM 801 CA LEU A 53 -3.494 0.511 -7.223 1.00 0.00 C ATOM 802 C LEU A 53 -3.444 -0.624 -8.248 1.00 0.00 C ATOM 803 O LEU A 53 -2.694 -1.584 -8.080 1.00 0.00 O ATOM 804 CB LEU A 53 -3.403 0.034 -5.772 1.00 0.00 C ATOM 805 CG LEU A 53 -3.401 1.129 -4.704 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.987 0.614 -3.388 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.997 1.710 -4.518 1.00 0.00 C ATOM 0 H LEU A 53 -5.548 0.878 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.611 1.128 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.242 -0.634 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.493 -0.556 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.043 1.940 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.973 1.413 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.014 0.287 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.392 -0.225 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.023 2.486 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.314 0.919 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.653 2.139 -5.459 1.00 0.00 H new ATOM 819 N LEU A 54 -4.253 -0.475 -9.286 1.00 0.00 N ATOM 820 CA LEU A 54 -4.311 -1.476 -10.339 1.00 0.00 C ATOM 821 C LEU A 54 -3.085 -1.331 -11.242 1.00 0.00 C ATOM 822 O LEU A 54 -2.836 -0.257 -11.789 1.00 0.00 O ATOM 823 CB LEU A 54 -5.642 -1.388 -11.089 1.00 0.00 C ATOM 824 CG LEU A 54 -5.922 -2.510 -12.091 1.00 0.00 C ATOM 825 CD1 LEU A 54 -7.397 -2.525 -12.498 1.00 0.00 C ATOM 826 CD2 LEU A 54 -4.994 -2.407 -13.302 1.00 0.00 C ATOM 0 H LEU A 54 -4.874 0.323 -9.421 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.277 -2.479 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.449 -1.372 -10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.675 -0.437 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.712 -3.463 -11.605 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.570 -3.332 -13.211 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.016 -2.682 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.657 -1.572 -12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.214 -3.216 -13.999 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.148 -1.449 -13.798 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.957 -2.483 -12.974 1.00 0.00 H new ATOM 838 N GLY A 55 -2.352 -2.427 -11.372 1.00 0.00 N ATOM 839 CA GLY A 55 -1.159 -2.435 -12.200 1.00 0.00 C ATOM 840 C GLY A 55 0.075 -2.033 -11.389 1.00 0.00 C ATOM 841 O GLY A 55 1.183 -2.486 -11.671 1.00 0.00 O ATOM 0 H GLY A 55 -2.562 -3.316 -10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.012 -3.429 -12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.288 -1.748 -13.037 1.00 0.00 H new ATOM 845 N PHE A 56 -0.160 -1.188 -10.396 1.00 0.00 N ATOM 846 CA PHE A 56 0.918 -0.720 -9.541 1.00 0.00 C ATOM 847 C PHE A 56 1.537 -1.877 -8.756 1.00 0.00 C ATOM 848 O PHE A 56 1.076 -3.014 -8.850 1.00 0.00 O ATOM 849 CB PHE A 56 0.307 0.280 -8.557 1.00 0.00 C ATOM 850 CG PHE A 56 0.097 1.678 -9.140 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.003 1.942 -9.896 1.00 0.00 C ATOM 852 CD2 PHE A 56 1.010 2.658 -8.904 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.198 3.240 -10.437 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.815 3.956 -9.445 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.285 4.220 -10.201 1.00 0.00 C ATOM 0 H PHE A 56 -1.081 -0.815 -10.164 1.00 0.00 H new ATOM 0 HA PHE A 56 1.703 -0.267 -10.147 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.652 -0.106 -8.211 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.954 0.356 -7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.728 1.164 -10.085 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.884 2.449 -8.305 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.072 3.449 -11.036 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.540 4.734 -9.256 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.433 5.207 -10.613 1.00 0.00 H new ATOM 865 N THR A 57 2.573 -1.549 -7.998 1.00 0.00 N ATOM 866 CA THR A 57 3.260 -2.547 -7.196 1.00 0.00 C ATOM 867 C THR A 57 3.852 -1.907 -5.939 1.00 0.00 C ATOM 868 O THR A 57 3.855 -0.684 -5.803 1.00 0.00 O ATOM 869 CB THR A 57 4.307 -3.226 -8.082 1.00 0.00 C ATOM 870 OG1 THR A 57 3.649 -3.387 -9.336 1.00 0.00 O ATOM 871 CG2 THR A 57 4.613 -4.657 -7.635 1.00 0.00 C ATOM 0 H THR A 57 2.953 -0.606 -7.922 1.00 0.00 H new ATOM 0 HA THR A 57 2.569 -3.311 -6.839 1.00 0.00 H new ATOM 0 HB THR A 57 5.225 -2.639 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.257 -3.819 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.361 -5.093 -8.297 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.994 -4.646 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.702 -5.254 -7.675 1.00 0.00 H new ATOM 879 N VAL A 58 4.338 -2.762 -5.051 1.00 0.00 N ATOM 880 CA VAL A 58 4.930 -2.295 -3.809 1.00 0.00 C ATOM 881 C VAL A 58 6.121 -3.186 -3.451 1.00 0.00 C ATOM 882 O VAL A 58 6.168 -4.352 -3.841 1.00 0.00 O ATOM 883 CB VAL A 58 3.868 -2.245 -2.709 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.277 -3.108 -1.513 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.594 -0.803 -2.277 1.00 0.00 C ATOM 0 H VAL A 58 4.334 -3.775 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 58 5.307 -1.279 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 58 2.943 -2.654 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.505 -3.055 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.398 -4.142 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.220 -2.742 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.835 -0.796 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.513 -0.356 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.238 -0.228 -3.132 1.00 0.00 H new ATOM 895 N THR A 59 7.054 -2.604 -2.712 1.00 0.00 N ATOM 896 CA THR A 59 8.242 -3.331 -2.296 1.00 0.00 C ATOM 897 C THR A 59 8.903 -2.635 -1.105 1.00 0.00 C ATOM 898 O THR A 59 8.966 -1.407 -1.055 1.00 0.00 O ATOM 899 CB THR A 59 9.163 -3.465 -3.510 1.00 0.00 C ATOM 900 OG1 THR A 59 9.922 -4.641 -3.242 1.00 0.00 O ATOM 901 CG2 THR A 59 10.211 -2.352 -3.576 1.00 0.00 C ATOM 0 H THR A 59 7.012 -1.637 -2.390 1.00 0.00 H new ATOM 0 HA THR A 59 7.991 -4.333 -1.948 1.00 0.00 H new ATOM 0 HB THR A 59 8.565 -3.455 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.545 -4.804 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.838 -2.495 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.712 -1.385 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.831 -2.382 -2.680 1.00 0.00 H new ATOM 909 N LEU A 60 9.381 -3.449 -0.175 1.00 0.00 N ATOM 910 CA LEU A 60 10.035 -2.927 1.012 1.00 0.00 C ATOM 911 C LEU A 60 11.413 -2.382 0.632 1.00 0.00 C ATOM 912 O LEU A 60 12.115 -2.975 -0.186 1.00 0.00 O ATOM 913 CB LEU A 60 10.076 -3.990 2.112 1.00 0.00 C ATOM 914 CG LEU A 60 10.440 -3.492 3.513 1.00 0.00 C ATOM 915 CD1 LEU A 60 11.833 -2.858 3.525 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.372 -2.537 4.050 1.00 0.00 C ATOM 0 H LEU A 60 9.328 -4.467 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 60 9.466 -2.095 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.099 -4.471 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.795 -4.757 1.822 1.00 0.00 H new ATOM 0 HG LEU A 60 10.471 -4.351 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.067 -2.513 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.572 -3.597 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.854 -2.012 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.655 -2.198 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.285 -1.677 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.414 -3.054 4.101 1.00 0.00 H new ATOM 928 N VAL A 61 11.760 -1.259 1.243 1.00 0.00 N ATOM 929 CA VAL A 61 13.042 -0.628 0.979 1.00 0.00 C ATOM 930 C VAL A 61 13.795 -0.441 2.297 1.00 0.00 C ATOM 931 O VAL A 61 13.197 -0.094 3.314 1.00 0.00 O ATOM 932 CB VAL A 61 12.832 0.684 0.219 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.923 1.633 1.004 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.171 1.350 -0.105 1.00 0.00 C ATOM 0 H VAL A 61 11.175 -0.769 1.920 1.00 0.00 H new ATOM 0 HA VAL A 61 13.657 -1.264 0.341 1.00 0.00 H new ATOM 0 HB VAL A 61 12.337 0.450 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.790 2.557 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.953 1.161 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.378 1.857 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.994 2.280 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.704 1.564 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.770 0.681 -0.722 1.00 0.00 H new ATOM 1033 N SER A 68 12.409 -2.938 7.187 1.00 0.00 N ATOM 1034 CA SER A 68 11.006 -3.173 6.890 1.00 0.00 C ATOM 1035 C SER A 68 10.138 -2.147 7.621 1.00 0.00 C ATOM 1036 O SER A 68 9.065 -2.480 8.122 1.00 0.00 O ATOM 1037 CB SER A 68 10.591 -4.593 7.281 1.00 0.00 C ATOM 1038 OG SER A 68 11.527 -5.567 6.827 1.00 0.00 O ATOM 0 HA SER A 68 10.861 -3.063 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.497 -4.658 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.609 -4.812 6.863 1.00 0.00 H new ATOM 0 HG SER A 68 12.393 -5.138 6.667 1.00 0.00 H new ATOM 1044 N LYS A 69 10.634 -0.919 7.657 1.00 0.00 N ATOM 1045 CA LYS A 69 9.917 0.159 8.318 1.00 0.00 C ATOM 1046 C LYS A 69 9.444 1.168 7.270 1.00 0.00 C ATOM 1047 O LYS A 69 8.604 2.020 7.558 1.00 0.00 O ATOM 1048 CB LYS A 69 10.776 0.776 9.423 1.00 0.00 C ATOM 1049 CG LYS A 69 10.201 2.118 9.880 1.00 0.00 C ATOM 1050 CD LYS A 69 11.116 2.785 10.909 1.00 0.00 C ATOM 1051 CE LYS A 69 11.744 4.059 10.340 1.00 0.00 C ATOM 1052 NZ LYS A 69 13.178 4.135 10.699 1.00 0.00 N ATOM 0 H LYS A 69 11.524 -0.646 7.239 1.00 0.00 H new ATOM 0 HA LYS A 69 9.027 -0.225 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.831 0.092 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.794 0.917 9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.075 2.776 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.212 1.966 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.546 3.026 11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.901 2.090 11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.633 4.073 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.220 4.933 10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.589 5.005 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.277 4.143 11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.677 3.310 10.310 1.00 0.00 H new ATOM 1066 N VAL A 70 10.003 1.039 6.076 1.00 0.00 N ATOM 1067 CA VAL A 70 9.649 1.930 4.983 1.00 0.00 C ATOM 1068 C VAL A 70 9.622 1.139 3.674 1.00 0.00 C ATOM 1069 O VAL A 70 10.405 0.208 3.491 1.00 0.00 O ATOM 1070 CB VAL A 70 10.611 3.118 4.944 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.052 2.665 5.188 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.492 3.877 3.621 1.00 0.00 C ATOM 0 H VAL A 70 10.699 0.331 5.841 1.00 0.00 H new ATOM 0 HA VAL A 70 8.651 2.342 5.134 1.00 0.00 H new ATOM 0 HB VAL A 70 10.333 3.800 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.716 3.529 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.123 2.190 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.345 1.953 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.187 4.717 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.730 3.207 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.474 4.248 3.505 1.00 0.00 H new ATOM 1082 N PHE A 71 8.712 1.537 2.797 1.00 0.00 N ATOM 1083 CA PHE A 71 8.573 0.877 1.511 1.00 0.00 C ATOM 1084 C PHE A 71 8.397 1.899 0.386 1.00 0.00 C ATOM 1085 O PHE A 71 8.351 3.103 0.637 1.00 0.00 O ATOM 1086 CB PHE A 71 7.321 0.002 1.590 1.00 0.00 C ATOM 1087 CG PHE A 71 6.097 0.718 2.164 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.059 1.050 3.482 1.00 0.00 C ATOM 1089 CD2 PHE A 71 5.046 1.024 1.356 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.923 1.715 4.015 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.910 1.688 1.889 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.873 2.020 3.207 1.00 0.00 C ATOM 0 H PHE A 71 8.064 2.309 2.952 1.00 0.00 H new ATOM 0 HA PHE A 71 9.466 0.290 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.081 -0.362 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.539 -0.872 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.893 0.808 4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.076 0.762 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.893 1.978 5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.075 1.929 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.009 2.526 3.612 1.00 0.00 H new ATOM 1102 N GLN A 72 8.302 1.383 -0.831 1.00 0.00 N ATOM 1103 CA GLN A 72 8.131 2.236 -1.995 1.00 0.00 C ATOM 1104 C GLN A 72 6.939 1.763 -2.829 1.00 0.00 C ATOM 1105 O GLN A 72 6.586 0.585 -2.802 1.00 0.00 O ATOM 1106 CB GLN A 72 9.408 2.276 -2.837 1.00 0.00 C ATOM 1107 CG GLN A 72 10.501 3.087 -2.137 1.00 0.00 C ATOM 1108 CD GLN A 72 11.775 3.135 -2.984 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.306 4.189 -3.292 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.232 1.939 -3.342 1.00 0.00 N ATOM 0 H GLN A 72 8.340 0.385 -1.036 1.00 0.00 H new ATOM 0 HA GLN A 72 7.929 3.251 -1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.762 1.261 -3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.192 2.715 -3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.145 4.100 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.722 2.644 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.738 1.096 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.077 1.865 -3.909 1.00 0.00 H new ATOM 1119 N LEU A 73 6.351 2.706 -3.550 1.00 0.00 N ATOM 1120 CA LEU A 73 5.206 2.401 -4.391 1.00 0.00 C ATOM 1121 C LEU A 73 5.659 2.310 -5.849 1.00 0.00 C ATOM 1122 O LEU A 73 5.865 3.330 -6.504 1.00 0.00 O ATOM 1123 CB LEU A 73 4.085 3.416 -4.157 1.00 0.00 C ATOM 1124 CG LEU A 73 2.797 3.187 -4.951 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.167 1.839 -4.596 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.819 4.347 -4.756 1.00 0.00 C ATOM 0 H LEU A 73 6.646 3.682 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 73 4.787 1.430 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.839 3.417 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.465 4.409 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 73 3.050 3.155 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.253 1.701 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.868 1.037 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.930 1.817 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.912 4.159 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.567 4.436 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.280 5.273 -5.098 1.00 0.00 H new ATOM 1138 N LEU A 74 5.802 1.078 -6.315 1.00 0.00 N ATOM 1139 CA LEU A 74 6.227 0.840 -7.684 1.00 0.00 C ATOM 1140 C LEU A 74 5.010 0.904 -8.609 1.00 0.00 C ATOM 1141 O LEU A 74 3.900 0.562 -8.205 1.00 0.00 O ATOM 1142 CB LEU A 74 7.006 -0.474 -7.782 1.00 0.00 C ATOM 1143 CG LEU A 74 8.443 -0.442 -7.256 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.649 -1.491 -6.162 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.448 -0.600 -8.399 1.00 0.00 C ATOM 0 H LEU A 74 5.631 0.234 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 74 6.917 1.618 -8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.457 -1.241 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.029 -0.783 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 74 8.621 0.534 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.678 -1.447 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.969 -1.291 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.447 -2.483 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.461 -0.574 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.281 -1.553 -8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.319 0.214 -9.112 1.00 0.00 H new ATOM 1157 N HIS A 75 5.261 1.344 -9.834 1.00 0.00 N ATOM 1158 CA HIS A 75 4.200 1.457 -10.820 1.00 0.00 C ATOM 1159 C HIS A 75 4.697 0.940 -12.171 1.00 0.00 C ATOM 1160 O HIS A 75 5.338 1.673 -12.923 1.00 0.00 O ATOM 1161 CB HIS A 75 3.675 2.893 -10.891 1.00 0.00 C ATOM 1162 CG HIS A 75 2.585 3.098 -11.916 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.428 2.411 -12.135 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 2.624 4.110 -12.859 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 0.793 2.973 -13.156 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 1.533 4.027 -13.607 1.00 0.00 N flip ATOM 0 H HIS A 75 6.183 1.626 -10.166 1.00 0.00 H new ATOM 0 HA HIS A 75 3.355 0.837 -10.522 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.296 3.179 -9.910 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.505 3.562 -11.119 1.00 0.00 H new ATOM 0 HD1 HIS A 75 1.105 1.602 -11.604 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.410 4.843 -12.967 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.154 2.649 -13.563 1.00 0.00 H new ATOM 1174 N LYS A 76 4.384 -0.320 -12.438 1.00 0.00 N ATOM 1175 CA LYS A 76 4.792 -0.944 -13.685 1.00 0.00 C ATOM 1176 C LYS A 76 6.239 -1.423 -13.562 1.00 0.00 C ATOM 1177 O LYS A 76 6.797 -1.975 -14.509 1.00 0.00 O ATOM 1178 CB LYS A 76 4.557 0.006 -14.861 1.00 0.00 C ATOM 1179 CG LYS A 76 3.210 0.720 -14.729 1.00 0.00 C ATOM 1180 CD LYS A 76 2.739 1.258 -16.082 1.00 0.00 C ATOM 1181 CE LYS A 76 3.335 2.639 -16.360 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.382 2.552 -17.401 1.00 0.00 N ATOM 0 H LYS A 76 3.853 -0.925 -11.812 1.00 0.00 H new ATOM 0 HA LYS A 76 4.181 -1.824 -13.888 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.360 0.742 -14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.586 -0.553 -15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.467 0.030 -14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.298 1.541 -14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.029 0.567 -16.873 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.651 1.318 -16.095 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.549 3.322 -16.682 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.758 3.050 -15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.776 3.498 -17.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.139 1.916 -17.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.968 2.180 -18.280 1.00 0.00 H new ATOM 1196 N GLY A 77 6.806 -1.194 -12.386 1.00 0.00 N ATOM 1197 CA GLY A 77 8.179 -1.596 -12.127 1.00 0.00 C ATOM 1198 C GLY A 77 9.016 -0.408 -11.649 1.00 0.00 C ATOM 1199 O GLY A 77 10.047 -0.591 -11.003 1.00 0.00 O ATOM 0 H GLY A 77 6.340 -0.736 -11.603 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.195 -2.384 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.617 -2.013 -13.034 1.00 0.00 H new ATOM 1203 N MET A 78 8.542 0.783 -11.985 1.00 0.00 N ATOM 1204 CA MET A 78 9.235 2.000 -11.598 1.00 0.00 C ATOM 1205 C MET A 78 8.652 2.576 -10.306 1.00 0.00 C ATOM 1206 O MET A 78 7.443 2.516 -10.085 1.00 0.00 O ATOM 1207 CB MET A 78 9.112 3.035 -12.718 1.00 0.00 C ATOM 1208 CG MET A 78 9.908 2.604 -13.952 1.00 0.00 C ATOM 1209 SD MET A 78 10.371 4.036 -14.911 1.00 0.00 S ATOM 1210 CE MET A 78 11.872 4.503 -14.066 1.00 0.00 C ATOM 0 H MET A 78 7.687 0.931 -12.521 1.00 0.00 H new ATOM 0 HA MET A 78 10.284 1.759 -11.426 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.063 3.165 -12.984 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.474 4.001 -12.367 1.00 0.00 H new ATOM 0 HG2 MET A 78 10.800 2.057 -13.647 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.311 1.926 -14.561 1.00 0.00 H new ATOM 0 HE1 MET A 78 12.296 5.388 -14.540 1.00 0.00 H new ATOM 0 HE2 MET A 78 11.649 4.723 -13.022 1.00 0.00 H new ATOM 0 HE3 MET A 78 12.589 3.684 -14.119 1.00 0.00 H new ATOM 1220 N VAL A 79 9.539 3.120 -9.485 1.00 0.00 N ATOM 1221 CA VAL A 79 9.128 3.706 -8.221 1.00 0.00 C ATOM 1222 C VAL A 79 8.291 4.958 -8.492 1.00 0.00 C ATOM 1223 O VAL A 79 8.733 5.863 -9.198 1.00 0.00 O ATOM 1224 CB VAL A 79 10.354 3.983 -7.349 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.968 4.767 -6.093 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.073 2.683 -6.985 1.00 0.00 C ATOM 0 H VAL A 79 10.541 3.167 -9.671 1.00 0.00 H new ATOM 0 HA VAL A 79 8.501 3.010 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 79 11.045 4.597 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.858 4.951 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.522 5.719 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.249 4.191 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.941 2.908 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.393 2.033 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.399 2.180 -7.896 1.00 0.00 H new ATOM 1236 N PHE A 80 7.098 4.970 -7.915 1.00 0.00 N ATOM 1237 CA PHE A 80 6.196 6.096 -8.085 1.00 0.00 C ATOM 1238 C PHE A 80 6.289 7.057 -6.898 1.00 0.00 C ATOM 1239 O PHE A 80 6.166 8.270 -7.066 1.00 0.00 O ATOM 1240 CB PHE A 80 4.778 5.527 -8.155 1.00 0.00 C ATOM 1241 CG PHE A 80 3.687 6.590 -8.294 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.741 7.492 -9.310 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.662 6.633 -7.401 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.728 8.479 -9.439 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.649 7.620 -7.529 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.704 8.522 -8.546 1.00 0.00 C ATOM 0 H PHE A 80 6.735 4.218 -7.329 1.00 0.00 H new ATOM 0 HA PHE A 80 6.457 6.649 -8.987 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.714 4.842 -9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.588 4.941 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.555 7.458 -10.019 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.618 5.916 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.771 9.195 -10.246 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.835 7.655 -6.819 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.934 9.273 -8.644 1.00 0.00 H new ATOM 1256 N TYR A 81 6.505 6.480 -5.726 1.00 0.00 N ATOM 1257 CA TYR A 81 6.616 7.270 -4.511 1.00 0.00 C ATOM 1258 C TYR A 81 7.089 6.409 -3.338 1.00 0.00 C ATOM 1259 O TYR A 81 6.918 5.191 -3.349 1.00 0.00 O ATOM 1260 CB TYR A 81 5.207 7.787 -4.215 1.00 0.00 C ATOM 1261 CG TYR A 81 4.855 9.088 -4.939 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.691 10.181 -4.838 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.703 9.167 -5.694 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.360 11.406 -5.520 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.372 10.392 -6.375 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.217 11.450 -6.255 1.00 0.00 C ATOM 1267 OH TYR A 81 3.904 12.607 -6.899 1.00 0.00 O ATOM 0 H TYR A 81 6.606 5.474 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 81 7.338 8.076 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.484 7.021 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.107 7.943 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.593 10.118 -4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.050 8.311 -5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.005 12.269 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.472 10.468 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 81 3.061 12.493 -7.386 1.00 0.00 H new ATOM 1277 N VAL A 82 7.673 7.076 -2.354 1.00 0.00 N ATOM 1278 CA VAL A 82 8.172 6.387 -1.176 1.00 0.00 C ATOM 1279 C VAL A 82 7.170 6.553 -0.032 1.00 0.00 C ATOM 1280 O VAL A 82 6.402 7.513 -0.008 1.00 0.00 O ATOM 1281 CB VAL A 82 9.571 6.897 -0.824 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.202 6.048 0.281 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.467 6.939 -2.064 1.00 0.00 C ATOM 0 H VAL A 82 7.812 8.086 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 82 8.270 5.319 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 82 9.472 7.915 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.196 6.432 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.579 6.092 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.281 5.014 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.455 7.305 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.556 5.937 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.029 7.605 -2.807 1.00 0.00 H new ATOM 1293 N PHE A 83 7.210 5.602 0.890 1.00 0.00 N ATOM 1294 CA PHE A 83 6.315 5.630 2.034 1.00 0.00 C ATOM 1295 C PHE A 83 6.955 4.952 3.247 1.00 0.00 C ATOM 1296 O PHE A 83 7.398 3.808 3.161 1.00 0.00 O ATOM 1297 CB PHE A 83 5.056 4.857 1.637 1.00 0.00 C ATOM 1298 CG PHE A 83 4.177 5.581 0.616 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.542 6.733 0.962 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.030 5.074 -0.637 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.725 7.406 0.014 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.214 5.746 -1.585 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.579 6.898 -1.239 1.00 0.00 C ATOM 0 H PHE A 83 7.849 4.807 0.868 1.00 0.00 H new ATOM 0 HA PHE A 83 6.090 6.661 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.350 3.890 1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.467 4.658 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.659 7.136 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.534 4.159 -0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.220 8.320 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.098 5.343 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.958 7.410 -1.960 1.00 0.00 H new ATOM 1313 N LYS A 84 6.982 5.686 4.350 1.00 0.00 N ATOM 1314 CA LYS A 84 7.560 5.170 5.579 1.00 0.00 C ATOM 1315 C LYS A 84 6.454 4.986 6.620 1.00 0.00 C ATOM 1316 O LYS A 84 5.474 5.730 6.628 1.00 0.00 O ATOM 1317 CB LYS A 84 8.705 6.068 6.051 1.00 0.00 C ATOM 1318 CG LYS A 84 9.125 5.716 7.480 1.00 0.00 C ATOM 1319 CD LYS A 84 10.066 6.778 8.052 1.00 0.00 C ATOM 1320 CE LYS A 84 9.774 7.028 9.533 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.831 7.871 10.135 1.00 0.00 N ATOM 0 H LYS A 84 6.613 6.634 4.418 1.00 0.00 H new ATOM 0 HA LYS A 84 8.004 4.189 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.557 5.959 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.395 7.112 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.241 5.630 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.619 4.744 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.100 6.456 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.954 7.707 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.806 7.516 9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.713 6.078 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.617 8.031 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.749 7.391 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.870 8.785 9.640 1.00 0.00 H new ATOM 1335 N ALA A 85 6.647 3.991 7.473 1.00 0.00 N ATOM 1336 CA ALA A 85 5.678 3.701 8.516 1.00 0.00 C ATOM 1337 C ALA A 85 6.340 3.874 9.884 1.00 0.00 C ATOM 1338 O ALA A 85 7.524 3.584 10.046 1.00 0.00 O ATOM 1339 CB ALA A 85 5.118 2.291 8.314 1.00 0.00 C ATOM 0 H ALA A 85 7.460 3.375 7.463 1.00 0.00 H new ATOM 0 HA ALA A 85 4.840 4.396 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.391 2.073 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.633 2.228 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.931 1.566 8.362 1.00 0.00 H new ATOM 1345 N ASP A 86 5.546 4.347 10.834 1.00 0.00 N ATOM 1346 CA ASP A 86 6.040 4.563 12.183 1.00 0.00 C ATOM 1347 C ASP A 86 6.850 3.342 12.626 1.00 0.00 C ATOM 1348 O ASP A 86 8.041 3.454 12.914 1.00 0.00 O ATOM 1349 CB ASP A 86 4.886 4.747 13.170 1.00 0.00 C ATOM 1350 CG ASP A 86 4.976 6.000 14.044 1.00 0.00 C ATOM 1351 OD1 ASP A 86 4.680 7.089 13.506 1.00 0.00 O ATOM 1352 OD2 ASP A 86 5.338 5.840 15.229 1.00 0.00 O ATOM 0 H ASP A 86 4.564 4.587 10.696 1.00 0.00 H new ATOM 0 HA ASP A 86 6.656 5.462 12.176 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.951 4.779 12.611 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.840 3.872 13.819 1.00 0.00 H new ATOM 1357 N ASP A 87 6.172 2.205 12.667 1.00 0.00 N ATOM 1358 CA ASP A 87 6.814 0.965 13.070 1.00 0.00 C ATOM 1359 C ASP A 87 6.908 0.029 11.864 1.00 0.00 C ATOM 1360 O ASP A 87 6.304 0.288 10.824 1.00 0.00 O ATOM 1361 CB ASP A 87 6.005 0.255 14.157 1.00 0.00 C ATOM 1362 CG ASP A 87 6.145 0.849 15.560 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.919 2.072 15.684 1.00 0.00 O ATOM 1364 OD2 ASP A 87 6.476 0.067 16.477 1.00 0.00 O ATOM 0 H ASP A 87 5.184 2.116 12.428 1.00 0.00 H new ATOM 0 HA ASP A 87 7.804 1.208 13.457 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.952 0.272 13.875 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.309 -0.791 14.190 1.00 0.00 H new ATOM 1369 N ALA A 88 7.672 -1.039 12.042 1.00 0.00 N ATOM 1370 CA ALA A 88 7.853 -2.015 10.981 1.00 0.00 C ATOM 1371 C ALA A 88 6.566 -2.826 10.814 1.00 0.00 C ATOM 1372 O ALA A 88 6.072 -2.989 9.700 1.00 0.00 O ATOM 1373 CB ALA A 88 9.061 -2.898 11.300 1.00 0.00 C ATOM 0 H ALA A 88 8.173 -1.250 12.905 1.00 0.00 H new ATOM 0 HA ALA A 88 8.054 -1.517 10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.197 -3.630 10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.954 -2.278 11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.894 -3.416 12.245 1.00 0.00 H new ATOM 1379 N HIS A 89 6.061 -3.312 11.938 1.00 0.00 N ATOM 1380 CA HIS A 89 4.841 -4.102 11.930 1.00 0.00 C ATOM 1381 C HIS A 89 3.771 -3.384 11.106 1.00 0.00 C ATOM 1382 O HIS A 89 2.969 -4.026 10.430 1.00 0.00 O ATOM 1383 CB HIS A 89 4.384 -4.409 13.358 1.00 0.00 C ATOM 1384 CG HIS A 89 5.147 -5.533 14.018 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.558 -6.736 14.367 1.00 0.00 N ATOM 1386 CD2 HIS A 89 6.456 -5.624 14.389 1.00 0.00 C ATOM 1387 CE1 HIS A 89 5.480 -7.508 14.922 1.00 0.00 C ATOM 1388 NE2 HIS A 89 6.656 -6.817 14.936 1.00 0.00 N ATOM 0 H HIS A 89 6.474 -3.174 12.860 1.00 0.00 H new ATOM 0 HA HIS A 89 5.029 -5.065 11.456 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.488 -3.509 13.963 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.324 -4.663 13.343 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.204 -4.855 14.260 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.327 -8.509 15.298 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.543 -7.160 15.306 1.00 0.00 H new ATOM 1396 N SER A 90 3.792 -2.062 11.191 1.00 0.00 N ATOM 1397 CA SER A 90 2.833 -1.250 10.461 1.00 0.00 C ATOM 1398 C SER A 90 3.094 -1.356 8.958 1.00 0.00 C ATOM 1399 O SER A 90 2.169 -1.576 8.177 1.00 0.00 O ATOM 1400 CB SER A 90 2.895 0.212 10.910 1.00 0.00 C ATOM 1401 OG SER A 90 2.890 0.336 12.329 1.00 0.00 O ATOM 0 H SER A 90 4.458 -1.533 11.754 1.00 0.00 H new ATOM 0 HA SER A 90 1.833 -1.626 10.676 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.796 0.676 10.509 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.045 0.755 10.496 1.00 0.00 H new ATOM 0 HG SER A 90 2.932 1.284 12.575 1.00 0.00 H new ATOM 1407 N THR A 91 4.358 -1.193 8.596 1.00 0.00 N ATOM 1408 CA THR A 91 4.753 -1.268 7.200 1.00 0.00 C ATOM 1409 C THR A 91 4.133 -2.499 6.535 1.00 0.00 C ATOM 1410 O THR A 91 3.394 -2.377 5.560 1.00 0.00 O ATOM 1411 CB THR A 91 6.281 -1.249 7.138 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.637 0.003 7.719 1.00 0.00 O ATOM 1413 CG2 THR A 91 6.809 -1.158 5.705 1.00 0.00 C ATOM 0 H THR A 91 5.122 -1.009 9.246 1.00 0.00 H new ATOM 0 HA THR A 91 4.380 -0.412 6.638 1.00 0.00 H new ATOM 0 HB THR A 91 6.674 -2.148 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.728 0.677 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.899 -1.148 5.719 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.461 -2.019 5.134 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.444 -0.242 5.240 1.00 0.00 H new ATOM 1421 N GLN A 92 4.458 -3.658 7.090 1.00 0.00 N ATOM 1422 CA GLN A 92 3.942 -4.910 6.564 1.00 0.00 C ATOM 1423 C GLN A 92 2.478 -4.750 6.152 1.00 0.00 C ATOM 1424 O GLN A 92 2.075 -5.212 5.085 1.00 0.00 O ATOM 1425 CB GLN A 92 4.105 -6.041 7.582 1.00 0.00 C ATOM 1426 CG GLN A 92 5.553 -6.534 7.626 1.00 0.00 C ATOM 1427 CD GLN A 92 5.903 -7.322 6.362 1.00 0.00 C ATOM 1428 OE1 GLN A 92 6.518 -6.602 5.429 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 5.632 -8.506 6.243 1.00 0.00 N flip ATOM 0 H GLN A 92 5.072 -3.756 7.898 1.00 0.00 H new ATOM 0 HA GLN A 92 4.521 -5.175 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.806 -5.692 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.443 -6.867 7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.227 -5.684 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.700 -7.164 8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.158 -8.999 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.879 -9.002 5.387 1.00 0.00 H new ATOM 1438 N ARG A 93 1.721 -4.093 7.019 1.00 0.00 N ATOM 1439 CA ARG A 93 0.309 -3.866 6.758 1.00 0.00 C ATOM 1440 C ARG A 93 0.129 -3.079 5.459 1.00 0.00 C ATOM 1441 O ARG A 93 -0.410 -3.598 4.483 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.346 -3.098 7.907 1.00 0.00 C ATOM 1443 CG ARG A 93 0.060 -3.684 9.261 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.083 -3.571 10.272 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.544 -3.239 11.610 1.00 0.00 N ATOM 1446 CZ ARG A 93 0.074 -4.118 12.410 1.00 0.00 C ATOM 1447 NH1 ARG A 93 0.236 -5.387 12.013 1.00 0.00 N ATOM 1448 NH2 ARG A 93 0.532 -3.727 13.608 1.00 0.00 N ATOM 0 H ARG A 93 2.058 -3.711 7.902 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.172 -4.840 6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.056 -2.048 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.430 -3.134 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.340 -4.730 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.938 -3.161 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.787 -2.802 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.635 -4.510 10.316 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.650 -2.281 11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.111 -5.684 11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.707 -6.056 12.622 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.410 -2.760 13.910 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.003 -4.396 14.217 1.00 0.00 H new ATOM 1462 N TRP A 94 0.592 -1.837 5.488 1.00 0.00 N ATOM 1463 CA TRP A 94 0.489 -0.973 4.325 1.00 0.00 C ATOM 1464 C TRP A 94 0.945 -1.770 3.101 1.00 0.00 C ATOM 1465 O TRP A 94 0.292 -1.743 2.059 1.00 0.00 O ATOM 1466 CB TRP A 94 1.285 0.317 4.528 1.00 0.00 C ATOM 1467 CG TRP A 94 0.480 1.452 5.164 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.608 1.966 6.395 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.591 2.198 4.547 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.297 2.984 6.615 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -1.050 3.129 5.456 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.153 2.088 3.263 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -2.091 4.023 5.178 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.193 2.988 3.001 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.666 3.932 3.905 1.00 0.00 C ATOM 0 H TRP A 94 1.039 -1.409 6.299 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.543 -0.657 4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.150 0.103 5.156 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.666 0.652 3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.329 1.626 7.124 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.395 3.530 7.471 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.810 1.366 2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.432 4.744 5.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.660 2.946 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.474 4.593 3.626 1.00 0.00 H new ATOM 1486 N ILE A 95 2.063 -2.462 3.268 1.00 0.00 N ATOM 1487 CA ILE A 95 2.614 -3.265 2.190 1.00 0.00 C ATOM 1488 C ILE A 95 1.526 -4.193 1.644 1.00 0.00 C ATOM 1489 O ILE A 95 1.034 -3.992 0.535 1.00 0.00 O ATOM 1490 CB ILE A 95 3.871 -4.001 2.659 1.00 0.00 C ATOM 1491 CG1 ILE A 95 4.971 -3.012 3.051 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.348 -4.999 1.602 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.099 -3.718 3.806 1.00 0.00 C ATOM 0 H ILE A 95 2.602 -2.483 4.134 1.00 0.00 H new ATOM 0 HA ILE A 95 2.934 -2.628 1.365 1.00 0.00 H new ATOM 0 HB ILE A 95 3.619 -4.573 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.371 -2.534 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.550 -2.222 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.243 -5.509 1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.564 -5.732 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.578 -4.468 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.868 -2.993 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.700 -4.174 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.534 -4.491 3.172 1.00 0.00 H new ATOM 1505 N ASP A 96 1.183 -5.188 2.448 1.00 0.00 N ATOM 1506 CA ASP A 96 0.163 -6.147 2.059 1.00 0.00 C ATOM 1507 C ASP A 96 -1.052 -5.397 1.510 1.00 0.00 C ATOM 1508 O ASP A 96 -1.614 -5.784 0.487 1.00 0.00 O ATOM 1509 CB ASP A 96 -0.297 -6.978 3.259 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.686 -8.422 2.933 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.179 -8.929 1.910 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.481 -8.985 3.716 1.00 0.00 O ATOM 0 H ASP A 96 1.593 -5.351 3.367 1.00 0.00 H new ATOM 0 HA ASP A 96 0.591 -6.808 1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.502 -6.991 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.152 -6.482 3.719 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.422 -4.337 2.214 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.560 -3.530 1.809 1.00 0.00 C ATOM 1519 C ALA A 97 -2.344 -3.032 0.379 1.00 0.00 C ATOM 1520 O ALA A 97 -3.289 -2.953 -0.404 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.752 -2.383 2.803 1.00 0.00 C ATOM 0 H ALA A 97 -0.954 -4.019 3.062 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.474 -4.124 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.606 -1.777 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.932 -2.790 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.856 -1.763 2.821 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.094 -2.709 0.081 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.742 -2.221 -1.241 1.00 0.00 C ATOM 1529 C PHE A 98 -0.529 -3.382 -2.215 1.00 0.00 C ATOM 1530 O PHE A 98 -0.770 -3.243 -3.414 1.00 0.00 O ATOM 1531 CB PHE A 98 0.569 -1.446 -1.097 1.00 0.00 C ATOM 1532 CG PHE A 98 0.383 0.029 -0.735 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.301 0.854 -1.573 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.902 0.516 0.424 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.474 2.223 -1.237 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.729 1.885 0.760 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.045 2.709 -0.078 1.00 0.00 C ATOM 0 H PHE A 98 -0.312 -2.776 0.733 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.544 -1.595 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.179 -1.924 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.123 -1.513 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.712 0.468 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.446 -0.139 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.018 2.878 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.141 2.271 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.086 3.750 0.177 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.081 -4.500 -1.665 1.00 0.00 N ATOM 1548 CA GLN A 99 0.167 -5.684 -2.470 1.00 0.00 C ATOM 1549 C GLN A 99 -1.157 -6.329 -2.886 1.00 0.00 C ATOM 1550 O GLN A 99 -1.425 -6.493 -4.075 1.00 0.00 O ATOM 1551 CB GLN A 99 1.051 -6.682 -1.720 1.00 0.00 C ATOM 1552 CG GLN A 99 2.521 -6.261 -1.775 1.00 0.00 C ATOM 1553 CD GLN A 99 3.436 -7.403 -1.329 1.00 0.00 C ATOM 1554 OE1 GLN A 99 3.054 -8.562 -1.295 1.00 0.00 O ATOM 1555 NE2 GLN A 99 4.662 -7.014 -0.990 1.00 0.00 N ATOM 0 H GLN A 99 0.117 -4.612 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 99 0.701 -5.382 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.727 -6.751 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.937 -7.674 -2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.779 -5.959 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.678 -5.393 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.917 -6.028 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.348 -7.702 -0.679 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.949 -6.678 -1.883 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.238 -7.302 -2.130 1.00 0.00 C ATOM 1566 C GLU A 100 -4.041 -6.480 -3.140 1.00 0.00 C ATOM 1567 O GLU A 100 -4.779 -7.036 -3.952 1.00 0.00 O ATOM 1568 CB GLU A 100 -4.019 -7.482 -0.826 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.939 -8.929 -0.335 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.320 -9.446 0.073 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -6.059 -9.875 -0.840 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -5.606 -9.401 1.289 1.00 0.00 O ATOM 0 H GLU A 100 -1.723 -6.541 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.065 -8.292 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.620 -6.813 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.061 -7.204 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.528 -9.562 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.258 -8.992 0.514 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.869 -5.169 -3.058 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.568 -4.264 -3.955 1.00 0.00 C ATOM 1581 C GLY A 101 -4.133 -4.485 -5.405 1.00 0.00 C ATOM 1582 O GLY A 101 -4.957 -4.799 -6.263 1.00 0.00 O ATOM 0 H GLY A 101 -3.255 -4.711 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.644 -4.418 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.368 -3.232 -3.665 1.00 0.00 H new ATOM 1586 N THR A 102 -2.840 -4.312 -5.633 1.00 0.00 N ATOM 1587 CA THR A 102 -2.285 -4.489 -6.965 1.00 0.00 C ATOM 1588 C THR A 102 -2.667 -5.861 -7.524 1.00 0.00 C ATOM 1589 O THR A 102 -3.023 -5.980 -8.695 1.00 0.00 O ATOM 1590 CB THR A 102 -0.774 -4.266 -6.881 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.360 -5.097 -5.799 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.415 -2.851 -6.421 1.00 0.00 C ATOM 0 H THR A 102 -2.160 -4.051 -4.919 1.00 0.00 H new ATOM 0 HA THR A 102 -2.697 -3.762 -7.665 1.00 0.00 H new ATOM 0 HB THR A 102 -0.325 -4.456 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.144 -5.526 -5.397 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.669 -2.746 -6.379 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.822 -2.125 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.836 -2.672 -5.431 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.579 -6.862 -6.660 1.00 0.00 N ATOM 1601 CA VAL A 103 -2.911 -8.221 -7.053 1.00 0.00 C ATOM 1602 C VAL A 103 -4.421 -8.428 -6.929 1.00 0.00 C ATOM 1603 O VAL A 103 -5.181 -7.463 -6.857 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.099 -9.218 -6.224 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.599 -8.952 -6.360 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.531 -9.189 -4.756 1.00 0.00 C ATOM 0 H VAL A 103 -2.283 -6.759 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.645 -8.394 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.297 -10.217 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.045 -9.675 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.306 -9.047 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.375 -7.944 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.939 -9.907 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.376 -8.189 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.587 -9.451 -4.682 1.00 0.00 H new