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 167:sc= -0.138 (180deg=-0.602) 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 167:sc= 0.812 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= -4.06! C(o=-4.1!,f=-4.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.774 F(o=-0.29,f=0.77) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 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= -2.25 X(o=-2.2,f=-2.6) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -51:sc= 0.364 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.308 K(o=-0.31,f=-2!) USER MOD Single : A 75 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-4.4!) 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 -90:sc= -6.05! USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0265 F(o=-0.75,f=-0.026) USER MOD Single : A 99 GLN : amide:sc= 0.459 K(o=0.46,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 1:sc= 0.0582! USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.143 0.166 5.690 1.00 0.00 N ATOM 92 CA MET A 10 -5.874 0.836 5.917 1.00 0.00 C ATOM 93 C MET A 10 -6.069 2.346 6.064 1.00 0.00 C ATOM 94 O MET A 10 -6.817 2.956 5.301 1.00 0.00 O ATOM 95 CB MET A 10 -4.931 0.554 4.745 1.00 0.00 C ATOM 96 CG MET A 10 -3.511 0.272 5.240 1.00 0.00 C ATOM 97 SD MET A 10 -3.490 -1.221 6.218 1.00 0.00 S ATOM 98 CE MET A 10 -2.515 -0.667 7.607 1.00 0.00 C ATOM 0 HA MET A 10 -5.443 0.453 6.842 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.298 -0.300 4.176 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.921 1.408 4.068 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.835 0.170 4.391 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.151 1.111 5.835 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.593 -1.391 8.418 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.472 -0.572 7.305 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.884 0.301 7.947 1.00 0.00 H new ATOM 108 N SER A 11 -5.384 2.907 7.049 1.00 0.00 N ATOM 109 CA SER A 11 -5.473 4.334 7.306 1.00 0.00 C ATOM 110 C SER A 11 -4.451 4.739 8.370 1.00 0.00 C ATOM 111 O SER A 11 -4.335 4.085 9.405 1.00 0.00 O ATOM 112 CB SER A 11 -6.884 4.728 7.747 1.00 0.00 C ATOM 113 OG SER A 11 -7.112 4.440 9.124 1.00 0.00 O ATOM 0 H SER A 11 -4.764 2.398 7.679 1.00 0.00 H new ATOM 0 HA SER A 11 -5.251 4.863 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.036 5.793 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.616 4.196 7.139 1.00 0.00 H new ATOM 0 HG SER A 11 -8.023 4.707 9.368 1.00 0.00 H new ATOM 119 N GLY A 12 -3.737 5.816 8.079 1.00 0.00 N ATOM 120 CA GLY A 12 -2.728 6.317 8.998 1.00 0.00 C ATOM 121 C GLY A 12 -1.757 7.261 8.286 1.00 0.00 C ATOM 122 O GLY A 12 -1.475 7.088 7.101 1.00 0.00 O ATOM 0 H GLY A 12 -3.837 6.356 7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.211 6.841 9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.177 5.481 9.430 1.00 0.00 H new ATOM 126 N TYR A 13 -1.273 8.237 9.039 1.00 0.00 N ATOM 127 CA TYR A 13 -0.340 9.209 8.494 1.00 0.00 C ATOM 128 C TYR A 13 0.919 8.521 7.961 1.00 0.00 C ATOM 129 O TYR A 13 1.516 7.693 8.647 1.00 0.00 O ATOM 130 CB TYR A 13 0.048 10.121 9.660 1.00 0.00 C ATOM 131 CG TYR A 13 -1.008 11.174 10.004 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.257 12.212 9.129 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.711 11.085 11.188 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.250 13.203 9.453 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.705 12.076 11.511 1.00 0.00 C ATOM 136 CZ TYR A 13 -2.925 13.086 10.628 1.00 0.00 C ATOM 137 OH TYR A 13 -3.864 14.022 10.933 1.00 0.00 O ATOM 0 H TYR A 13 -1.509 8.376 10.022 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.795 9.756 7.668 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.235 9.507 10.541 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.984 10.625 9.418 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.707 12.281 8.202 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.516 10.273 11.872 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.454 14.021 8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.263 12.018 12.434 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.266 13.811 11.801 1.00 0.00 H new ATOM 147 N LEU A 14 1.284 8.889 6.742 1.00 0.00 N ATOM 148 CA LEU A 14 2.460 8.318 6.108 1.00 0.00 C ATOM 149 C LEU A 14 3.299 9.441 5.494 1.00 0.00 C ATOM 150 O LEU A 14 2.759 10.456 5.058 1.00 0.00 O ATOM 151 CB LEU A 14 2.057 7.234 5.107 1.00 0.00 C ATOM 152 CG LEU A 14 1.387 5.991 5.698 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.565 5.255 4.639 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.418 5.076 6.362 1.00 0.00 C ATOM 0 H LEU A 14 0.786 9.576 6.176 1.00 0.00 H new ATOM 0 HA LEU A 14 3.086 7.819 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.379 7.676 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.948 6.919 4.564 1.00 0.00 H new ATOM 0 HG LEU A 14 0.695 6.313 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.100 4.376 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.209 5.919 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.217 4.945 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.916 4.201 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.153 4.758 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.921 5.616 7.164 1.00 0.00 H new ATOM 166 N TYR A 15 4.605 9.219 5.478 1.00 0.00 N ATOM 167 CA TYR A 15 5.524 10.200 4.925 1.00 0.00 C ATOM 168 C TYR A 15 5.859 9.875 3.467 1.00 0.00 C ATOM 169 O TYR A 15 6.590 8.926 3.191 1.00 0.00 O ATOM 170 CB TYR A 15 6.800 10.102 5.762 1.00 0.00 C ATOM 171 CG TYR A 15 6.654 10.645 7.185 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.913 11.787 7.415 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.262 9.994 8.239 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.775 12.298 8.754 1.00 0.00 C ATOM 175 CE2 TYR A 15 7.124 10.505 9.578 1.00 0.00 C ATOM 176 CZ TYR A 15 6.387 11.632 9.769 1.00 0.00 C ATOM 177 OH TYR A 15 6.257 12.115 11.034 1.00 0.00 O ATOM 0 H TYR A 15 5.049 8.375 5.839 1.00 0.00 H new ATOM 0 HA TYR A 15 5.083 11.196 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.110 9.058 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.597 10.647 5.256 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.437 12.297 6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.842 9.101 8.059 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.198 13.190 8.948 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.595 10.005 10.411 1.00 0.00 H new ATOM 0 HH TYR A 15 6.746 11.537 11.657 1.00 0.00 H new ATOM 187 N ARG A 16 5.307 10.682 2.573 1.00 0.00 N ATOM 188 CA ARG A 16 5.538 10.493 1.151 1.00 0.00 C ATOM 189 C ARG A 16 6.754 11.303 0.698 1.00 0.00 C ATOM 190 O ARG A 16 6.822 12.509 0.929 1.00 0.00 O ATOM 191 CB ARG A 16 4.317 10.919 0.333 1.00 0.00 C ATOM 192 CG ARG A 16 4.260 10.167 -0.998 1.00 0.00 C ATOM 193 CD ARG A 16 3.265 10.825 -1.957 1.00 0.00 C ATOM 194 NE ARG A 16 2.060 9.977 -2.097 1.00 0.00 N ATOM 195 CZ ARG A 16 1.225 10.026 -3.143 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.458 10.881 -4.148 1.00 0.00 N ATOM 197 NH2 ARG A 16 0.156 9.218 -3.186 1.00 0.00 N ATOM 0 H ARG A 16 4.700 11.468 2.806 1.00 0.00 H new ATOM 0 HA ARG A 16 5.721 9.432 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.408 10.727 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.356 11.992 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.251 10.149 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.971 9.131 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.985 11.810 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.730 10.974 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 16 1.853 9.314 -1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.272 11.495 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.822 10.918 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.021 8.566 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.480 9.255 -3.983 1.00 0.00 H new ATOM 211 N SER A 17 7.685 10.607 0.062 1.00 0.00 N ATOM 212 CA SER A 17 8.896 11.247 -0.425 1.00 0.00 C ATOM 213 C SER A 17 9.116 10.897 -1.898 1.00 0.00 C ATOM 214 O SER A 17 8.351 10.128 -2.478 1.00 0.00 O ATOM 215 CB SER A 17 10.111 10.833 0.407 1.00 0.00 C ATOM 216 OG SER A 17 11.076 10.131 -0.371 1.00 0.00 O ATOM 0 H SER A 17 7.625 9.607 -0.127 1.00 0.00 H new ATOM 0 HA SER A 17 8.775 12.326 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.572 11.720 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.786 10.204 1.235 1.00 0.00 H new ATOM 0 HG SER A 17 11.916 10.066 0.130 1.00 0.00 H new ATOM 222 N LYS A 18 10.166 11.477 -2.460 1.00 0.00 N ATOM 223 CA LYS A 18 10.497 11.235 -3.854 1.00 0.00 C ATOM 224 C LYS A 18 11.903 10.639 -3.944 1.00 0.00 C ATOM 225 O LYS A 18 12.647 10.931 -4.879 1.00 0.00 O ATOM 226 CB LYS A 18 10.318 12.513 -4.676 1.00 0.00 C ATOM 227 CG LYS A 18 8.896 12.612 -5.233 1.00 0.00 C ATOM 228 CD LYS A 18 8.902 12.587 -6.762 1.00 0.00 C ATOM 229 CE LYS A 18 8.590 13.971 -7.335 1.00 0.00 C ATOM 230 NZ LYS A 18 8.856 14.001 -8.791 1.00 0.00 N ATOM 0 H LYS A 18 10.799 12.114 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 18 9.813 10.505 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.530 13.383 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.035 12.525 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.295 11.785 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.428 13.532 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.876 12.253 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.166 11.867 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.547 14.223 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.197 14.724 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.639 14.947 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.857 13.781 -8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.259 13.296 -9.268 1.00 0.00 H new ATOM 244 N GLY A 19 12.225 9.814 -2.959 1.00 0.00 N ATOM 245 CA GLY A 19 13.529 9.173 -2.915 1.00 0.00 C ATOM 246 C GLY A 19 14.061 9.111 -1.482 1.00 0.00 C ATOM 247 O GLY A 19 13.302 9.268 -0.526 1.00 0.00 O ATOM 0 H GLY A 19 11.606 9.574 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.457 8.165 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.230 9.723 -3.543 1.00 0.00 H new ATOM 251 N SER A 20 15.362 8.882 -1.377 1.00 0.00 N ATOM 252 CA SER A 20 16.005 8.797 -0.077 1.00 0.00 C ATOM 253 C SER A 20 16.516 10.175 0.345 1.00 0.00 C ATOM 254 O SER A 20 16.136 10.687 1.397 1.00 0.00 O ATOM 255 CB SER A 20 17.154 7.787 -0.095 1.00 0.00 C ATOM 256 OG SER A 20 16.712 6.469 0.220 1.00 0.00 O ATOM 0 H SER A 20 15.988 8.753 -2.172 1.00 0.00 H new ATOM 0 HA SER A 20 15.267 8.453 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.621 7.787 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.917 8.094 0.620 1.00 0.00 H new ATOM 0 HG SER A 20 17.475 5.854 0.196 1.00 0.00 H new ATOM 262 N LYS A 21 17.371 10.737 -0.497 1.00 0.00 N ATOM 263 CA LYS A 21 17.939 12.047 -0.225 1.00 0.00 C ATOM 264 C LYS A 21 16.847 13.110 -0.362 1.00 0.00 C ATOM 265 O LYS A 21 17.071 14.279 -0.051 1.00 0.00 O ATOM 266 CB LYS A 21 19.157 12.298 -1.115 1.00 0.00 C ATOM 267 CG LYS A 21 20.307 11.357 -0.749 1.00 0.00 C ATOM 268 CD LYS A 21 21.623 12.125 -0.613 1.00 0.00 C ATOM 269 CE LYS A 21 22.500 11.520 0.485 1.00 0.00 C ATOM 270 NZ LYS A 21 23.630 10.771 -0.108 1.00 0.00 N ATOM 0 H LYS A 21 17.684 10.309 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 21 18.307 12.098 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.884 12.155 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.482 13.333 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.081 10.848 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.409 10.587 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.158 12.107 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.416 13.170 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.880 12.311 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.904 10.855 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.215 10.367 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.262 10.004 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.208 11.414 -0.685 1.00 0.00 H new ATOM 284 N LYS A 22 15.689 12.666 -0.830 1.00 0.00 N ATOM 285 CA LYS A 22 14.562 13.565 -1.013 1.00 0.00 C ATOM 286 C LYS A 22 13.874 13.793 0.334 1.00 0.00 C ATOM 287 O LYS A 22 13.976 12.964 1.236 1.00 0.00 O ATOM 288 CB LYS A 22 13.626 13.036 -2.100 1.00 0.00 C ATOM 289 CG LYS A 22 14.203 13.291 -3.494 1.00 0.00 C ATOM 290 CD LYS A 22 13.446 14.416 -4.204 1.00 0.00 C ATOM 291 CE LYS A 22 13.795 14.457 -5.693 1.00 0.00 C ATOM 292 NZ LYS A 22 14.183 15.826 -6.097 1.00 0.00 N ATOM 0 H LYS A 22 15.507 11.696 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 22 14.904 14.538 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.467 11.967 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.652 13.518 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.258 13.553 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.146 12.379 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.373 14.270 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.692 15.372 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.611 13.765 -5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.940 14.126 -6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.417 15.836 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.393 16.478 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.013 16.128 -5.548 1.00 0.00 H new ATOM 306 N PRO A 23 13.169 14.952 0.430 1.00 0.00 N ATOM 307 CA PRO A 23 12.463 15.300 1.652 1.00 0.00 C ATOM 308 C PRO A 23 11.186 14.471 1.803 1.00 0.00 C ATOM 309 O PRO A 23 10.667 13.941 0.822 1.00 0.00 O ATOM 310 CB PRO A 23 12.193 16.792 1.539 1.00 0.00 C ATOM 311 CG PRO A 23 12.340 17.132 0.065 1.00 0.00 C ATOM 312 CD PRO A 23 13.025 15.959 -0.618 1.00 0.00 C ATOM 0 HA PRO A 23 13.042 15.080 2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.193 17.036 1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.897 17.363 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.364 17.318 -0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.927 18.042 -0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.430 15.582 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.994 16.248 -1.025 1.00 0.00 H new ATOM 320 N TRP A 24 10.718 14.384 3.039 1.00 0.00 N ATOM 321 CA TRP A 24 9.512 13.628 3.331 1.00 0.00 C ATOM 322 C TRP A 24 8.343 14.613 3.407 1.00 0.00 C ATOM 323 O TRP A 24 8.545 15.805 3.635 1.00 0.00 O ATOM 324 CB TRP A 24 9.679 12.800 4.607 1.00 0.00 C ATOM 325 CG TRP A 24 10.723 11.688 4.495 1.00 0.00 C ATOM 326 CD1 TRP A 24 12.019 11.735 4.835 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.507 10.353 3.991 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.650 10.533 4.589 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.701 9.665 4.059 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.340 9.746 3.495 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.845 8.335 3.648 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.500 8.416 3.087 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.695 7.710 3.150 1.00 0.00 C ATOM 0 H TRP A 24 11.152 14.825 3.850 1.00 0.00 H new ATOM 0 HA TRP A 24 9.309 12.906 2.540 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.957 13.464 5.425 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.718 12.357 4.869 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.508 12.604 5.249 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.632 10.320 4.764 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.395 10.265 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.791 7.819 3.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.634 7.903 2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.737 6.684 2.816 1.00 0.00 H new ATOM 344 N LYS A 25 7.147 14.078 3.210 1.00 0.00 N ATOM 345 CA LYS A 25 5.946 14.895 3.253 1.00 0.00 C ATOM 346 C LYS A 25 4.882 14.186 4.094 1.00 0.00 C ATOM 347 O LYS A 25 4.478 13.069 3.776 1.00 0.00 O ATOM 348 CB LYS A 25 5.482 15.240 1.837 1.00 0.00 C ATOM 349 CG LYS A 25 6.363 16.328 1.220 1.00 0.00 C ATOM 350 CD LYS A 25 6.792 15.948 -0.198 1.00 0.00 C ATOM 351 CE LYS A 25 6.912 17.188 -1.086 1.00 0.00 C ATOM 352 NZ LYS A 25 8.074 18.008 -0.675 1.00 0.00 N ATOM 0 H LYS A 25 6.984 13.089 3.020 1.00 0.00 H new ATOM 0 HA LYS A 25 6.151 15.850 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.511 14.347 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.446 15.577 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.819 17.272 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.245 16.482 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.748 15.426 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.067 15.257 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.022 16.887 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.999 17.780 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.142 18.846 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.954 18.310 0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.944 17.445 -0.761 1.00 0.00 H new ATOM 366 N HIS A 26 4.459 14.865 5.150 1.00 0.00 N ATOM 367 CA HIS A 26 3.450 14.315 6.038 1.00 0.00 C ATOM 368 C HIS A 26 2.074 14.412 5.376 1.00 0.00 C ATOM 369 O HIS A 26 1.578 15.510 5.125 1.00 0.00 O ATOM 370 CB HIS A 26 3.499 14.998 7.406 1.00 0.00 C ATOM 371 CG HIS A 26 2.507 14.448 8.404 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.377 15.143 8.798 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.487 13.264 9.080 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.715 14.402 9.674 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.404 13.238 9.848 1.00 0.00 N ATOM 0 H HIS A 26 4.797 15.791 5.410 1.00 0.00 H new ATOM 0 HA HIS A 26 3.655 13.259 6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.504 14.897 7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.314 16.064 7.275 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.226 12.480 9.004 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.208 14.672 10.164 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.132 12.473 10.466 1.00 0.00 H new ATOM 383 N LEU A 27 1.496 13.250 5.112 1.00 0.00 N ATOM 384 CA LEU A 27 0.187 13.191 4.483 1.00 0.00 C ATOM 385 C LEU A 27 -0.581 11.985 5.028 1.00 0.00 C ATOM 386 O LEU A 27 -0.013 11.144 5.723 1.00 0.00 O ATOM 387 CB LEU A 27 0.324 13.195 2.959 1.00 0.00 C ATOM 388 CG LEU A 27 0.466 14.569 2.302 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.423 14.511 1.110 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.901 15.135 1.913 1.00 0.00 C ATOM 0 H LEU A 27 1.910 12.342 5.322 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.395 14.079 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.193 12.594 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.549 12.700 2.534 1.00 0.00 H new ATOM 0 HG LEU A 27 0.901 15.252 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.506 15.501 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.406 14.182 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.040 13.808 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.771 16.112 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.387 14.460 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.520 15.237 2.805 1.00 0.00 H new ATOM 402 N TRP A 28 -1.862 11.939 4.692 1.00 0.00 N ATOM 403 CA TRP A 28 -2.715 10.851 5.139 1.00 0.00 C ATOM 404 C TRP A 28 -3.171 10.070 3.905 1.00 0.00 C ATOM 405 O TRP A 28 -3.424 10.657 2.854 1.00 0.00 O ATOM 406 CB TRP A 28 -3.880 11.377 5.979 1.00 0.00 C ATOM 407 CG TRP A 28 -4.787 10.280 6.541 1.00 0.00 C ATOM 408 CD1 TRP A 28 -5.787 9.638 5.921 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.737 9.719 7.870 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.382 8.708 6.749 1.00 0.00 N ATOM 411 CE2 TRP A 28 -5.723 8.759 7.972 1.00 0.00 C ATOM 412 CE3 TRP A 28 -3.886 10.013 8.949 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -5.951 8.015 9.136 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.126 9.261 10.106 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.115 8.291 10.224 1.00 0.00 C ATOM 0 H TRP A 28 -2.330 12.638 4.115 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.166 10.175 5.795 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.482 11.964 6.806 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.479 12.052 5.368 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.089 9.825 4.901 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.162 8.096 6.508 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.108 10.760 8.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.730 7.269 9.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.500 9.448 10.966 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.238 7.752 11.152 1.00 0.00 H new ATOM 426 N PHE A 29 -3.264 8.760 4.074 1.00 0.00 N ATOM 427 CA PHE A 29 -3.686 7.893 2.987 1.00 0.00 C ATOM 428 C PHE A 29 -4.633 6.802 3.491 1.00 0.00 C ATOM 429 O PHE A 29 -4.672 6.513 4.686 1.00 0.00 O ATOM 430 CB PHE A 29 -2.424 7.236 2.423 1.00 0.00 C ATOM 431 CG PHE A 29 -1.381 8.230 1.909 1.00 0.00 C ATOM 432 CD1 PHE A 29 -0.475 8.770 2.768 1.00 0.00 C ATOM 433 CD2 PHE A 29 -1.360 8.575 0.594 1.00 0.00 C ATOM 434 CE1 PHE A 29 0.493 9.693 2.292 1.00 0.00 C ATOM 435 CE2 PHE A 29 -0.392 9.498 0.117 1.00 0.00 C ATOM 436 CZ PHE A 29 0.514 10.037 0.976 1.00 0.00 C ATOM 0 H PHE A 29 -3.054 8.277 4.948 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.215 8.474 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.971 6.618 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.707 6.569 1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.492 8.496 3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.080 8.147 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.212 10.122 2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.375 9.772 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.251 10.739 0.613 1.00 0.00 H new ATOM 446 N VAL A 30 -5.373 6.226 2.555 1.00 0.00 N ATOM 447 CA VAL A 30 -6.317 5.173 2.890 1.00 0.00 C ATOM 448 C VAL A 30 -6.494 4.251 1.682 1.00 0.00 C ATOM 449 O VAL A 30 -6.136 4.612 0.562 1.00 0.00 O ATOM 450 CB VAL A 30 -7.633 5.785 3.373 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.772 4.767 3.294 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.491 6.341 4.791 1.00 0.00 C ATOM 0 H VAL A 30 -5.338 6.468 1.565 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.937 4.565 3.711 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.880 6.615 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.696 5.227 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.897 4.440 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.536 3.907 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.441 6.770 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.210 5.537 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.721 7.113 4.804 1.00 0.00 H new ATOM 462 N ILE A 31 -7.047 3.077 1.951 1.00 0.00 N ATOM 463 CA ILE A 31 -7.276 2.100 0.900 1.00 0.00 C ATOM 464 C ILE A 31 -8.749 1.686 0.907 1.00 0.00 C ATOM 465 O ILE A 31 -9.124 0.726 1.578 1.00 0.00 O ATOM 466 CB ILE A 31 -6.306 0.924 1.041 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.861 1.376 0.818 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.698 -0.224 0.109 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.902 0.185 0.859 1.00 0.00 C ATOM 0 H ILE A 31 -7.343 2.781 2.881 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.072 2.537 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.371 0.547 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.779 1.881 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.580 2.100 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.993 -1.047 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.702 -0.568 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.678 0.123 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.882 0.534 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.969 -0.303 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.170 -0.525 0.077 1.00 0.00 H new ATOM 481 N LYS A 32 -9.543 2.431 0.152 1.00 0.00 N ATOM 482 CA LYS A 32 -10.967 2.153 0.063 1.00 0.00 C ATOM 483 C LYS A 32 -11.190 0.939 -0.841 1.00 0.00 C ATOM 484 O LYS A 32 -10.976 -0.198 -0.423 1.00 0.00 O ATOM 485 CB LYS A 32 -11.729 3.402 -0.385 1.00 0.00 C ATOM 486 CG LYS A 32 -13.179 3.063 -0.735 1.00 0.00 C ATOM 487 CD LYS A 32 -14.154 3.891 0.104 1.00 0.00 C ATOM 488 CE LYS A 32 -14.209 3.380 1.545 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.502 2.709 1.807 1.00 0.00 N ATOM 0 H LYS A 32 -9.228 3.226 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.368 1.898 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.708 4.149 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.235 3.842 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.355 3.251 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.359 2.001 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.848 4.937 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.149 3.847 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.389 2.684 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.077 4.211 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.523 2.368 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.280 3.383 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.613 1.904 1.158 1.00 0.00 H new ATOM 503 N ASN A 33 -11.616 1.222 -2.063 1.00 0.00 N ATOM 504 CA ASN A 33 -11.870 0.168 -3.030 1.00 0.00 C ATOM 505 C ASN A 33 -10.586 -0.125 -3.808 1.00 0.00 C ATOM 506 O ASN A 33 -10.512 0.130 -5.009 1.00 0.00 O ATOM 507 CB ASN A 33 -12.946 0.588 -4.033 1.00 0.00 C ATOM 508 CG ASN A 33 -13.412 -0.605 -4.870 1.00 0.00 C ATOM 509 OD1 ASN A 33 -14.609 -1.072 -4.527 1.00 0.00 O flip ATOM 510 ND2 ASN A 33 -12.730 -1.071 -5.768 1.00 0.00 N flip ATOM 0 H ASN A 33 -11.792 2.166 -2.406 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.209 -0.714 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.795 1.018 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.553 1.365 -4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.819 -0.664 -5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.071 -1.867 -6.307 1.00 0.00 H new ATOM 517 N LYS A 34 -9.606 -0.656 -3.092 1.00 0.00 N ATOM 518 CA LYS A 34 -8.328 -0.986 -3.700 1.00 0.00 C ATOM 519 C LYS A 34 -7.744 0.265 -4.359 1.00 0.00 C ATOM 520 O LYS A 34 -6.872 0.168 -5.221 1.00 0.00 O ATOM 521 CB LYS A 34 -8.481 -2.170 -4.657 1.00 0.00 C ATOM 522 CG LYS A 34 -7.841 -3.432 -4.074 1.00 0.00 C ATOM 523 CD LYS A 34 -8.674 -4.672 -4.405 1.00 0.00 C ATOM 524 CE LYS A 34 -7.808 -5.933 -4.392 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.616 -7.113 -4.012 1.00 0.00 N ATOM 0 H LYS A 34 -9.671 -0.866 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.616 -1.309 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.538 -2.351 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.017 -1.931 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.833 -3.550 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.747 -3.330 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.483 -4.775 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.136 -4.553 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.367 -6.089 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.984 -5.808 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.013 -7.960 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.016 -6.969 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.388 -7.241 -4.697 1.00 0.00 H new ATOM 539 N VAL A 35 -8.247 1.413 -3.927 1.00 0.00 N ATOM 540 CA VAL A 35 -7.785 2.681 -4.464 1.00 0.00 C ATOM 541 C VAL A 35 -7.053 3.458 -3.367 1.00 0.00 C ATOM 542 O VAL A 35 -7.551 3.578 -2.249 1.00 0.00 O ATOM 543 CB VAL A 35 -8.961 3.456 -5.062 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.505 4.810 -5.608 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.664 2.636 -6.146 1.00 0.00 C ATOM 0 H VAL A 35 -8.970 1.491 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.076 2.516 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.680 3.642 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.360 5.340 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.072 5.401 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.757 4.655 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.496 3.210 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.957 2.404 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.040 1.709 -5.714 1.00 0.00 H new ATOM 555 N LEU A 36 -5.883 3.966 -3.727 1.00 0.00 N ATOM 556 CA LEU A 36 -5.078 4.728 -2.787 1.00 0.00 C ATOM 557 C LEU A 36 -5.509 6.195 -2.826 1.00 0.00 C ATOM 558 O LEU A 36 -5.077 6.950 -3.695 1.00 0.00 O ATOM 559 CB LEU A 36 -3.588 4.517 -3.064 1.00 0.00 C ATOM 560 CG LEU A 36 -2.623 5.176 -2.077 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.231 6.578 -2.546 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.207 5.187 -0.663 1.00 0.00 C ATOM 0 H LEU A 36 -5.474 3.865 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.243 4.374 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.389 3.445 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.368 4.893 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.710 4.581 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.545 7.024 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.745 6.513 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.124 7.197 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.501 5.661 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.144 5.745 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.393 4.163 -0.338 1.00 0.00 H new ATOM 574 N TYR A 37 -6.356 6.556 -1.873 1.00 0.00 N ATOM 575 CA TYR A 37 -6.850 7.919 -1.787 1.00 0.00 C ATOM 576 C TYR A 37 -5.900 8.796 -0.970 1.00 0.00 C ATOM 577 O TYR A 37 -5.426 8.386 0.088 1.00 0.00 O ATOM 578 CB TYR A 37 -8.196 7.835 -1.064 1.00 0.00 C ATOM 579 CG TYR A 37 -9.380 7.536 -1.986 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.903 8.533 -2.784 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.926 6.268 -2.019 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.017 8.251 -3.651 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.040 5.987 -2.886 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.531 6.992 -3.659 1.00 0.00 C ATOM 585 OH TYR A 37 -12.583 6.726 -4.479 1.00 0.00 O ATOM 0 H TYR A 37 -6.713 5.927 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.936 8.359 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.139 7.060 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.379 8.778 -0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.477 9.525 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.517 5.487 -1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.435 9.022 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.476 5.000 -2.922 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.845 5.787 -4.381 1.00 0.00 H new ATOM 595 N THR A 38 -5.650 9.988 -1.492 1.00 0.00 N ATOM 596 CA THR A 38 -4.764 10.927 -0.824 1.00 0.00 C ATOM 597 C THR A 38 -5.559 11.831 0.120 1.00 0.00 C ATOM 598 O THR A 38 -6.668 12.253 -0.206 1.00 0.00 O ATOM 599 CB THR A 38 -3.995 11.698 -1.899 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.042 10.757 -2.386 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.140 12.824 -1.314 1.00 0.00 C ATOM 0 H THR A 38 -6.045 10.325 -2.370 1.00 0.00 H new ATOM 0 HA THR A 38 -4.040 10.409 -0.195 1.00 0.00 H new ATOM 0 HB THR A 38 -4.699 12.114 -2.620 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.501 11.173 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.616 13.339 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.781 13.532 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.414 12.405 -0.618 1.00 0.00 H new ATOM 609 N TYR A 39 -4.962 12.102 1.271 1.00 0.00 N ATOM 610 CA TYR A 39 -5.601 12.948 2.265 1.00 0.00 C ATOM 611 C TYR A 39 -4.583 13.877 2.929 1.00 0.00 C ATOM 612 O TYR A 39 -3.434 13.956 2.497 1.00 0.00 O ATOM 613 CB TYR A 39 -6.173 12.000 3.320 1.00 0.00 C ATOM 614 CG TYR A 39 -7.471 11.309 2.898 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.649 12.025 2.845 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.464 9.968 2.569 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.871 11.375 2.447 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.685 9.318 2.171 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.828 10.053 2.130 1.00 0.00 C ATOM 620 OH TYR A 39 -10.982 9.438 1.754 1.00 0.00 O ATOM 0 H TYR A 39 -4.042 11.751 1.538 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.367 13.571 1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.428 11.239 3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.353 12.560 4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.655 13.074 3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.542 9.407 2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.800 11.924 2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.693 8.270 1.911 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.801 8.495 1.556 1.00 0.00 H new ATOM 630 N ALA A 40 -5.042 14.558 3.969 1.00 0.00 N ATOM 631 CA ALA A 40 -4.186 15.479 4.697 1.00 0.00 C ATOM 632 C ALA A 40 -4.380 15.268 6.200 1.00 0.00 C ATOM 633 O ALA A 40 -3.408 15.188 6.950 1.00 0.00 O ATOM 634 CB ALA A 40 -4.495 16.914 4.265 1.00 0.00 C ATOM 0 H ALA A 40 -5.996 14.490 4.325 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.137 15.289 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.853 17.605 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.314 17.019 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.539 17.142 4.480 1.00 0.00 H new ATOM 640 N ALA A 41 -5.642 15.184 6.596 1.00 0.00 N ATOM 641 CA ALA A 41 -5.975 14.984 7.996 1.00 0.00 C ATOM 642 C ALA A 41 -6.525 13.569 8.188 1.00 0.00 C ATOM 643 O ALA A 41 -6.960 12.934 7.229 1.00 0.00 O ATOM 644 CB ALA A 41 -6.966 16.061 8.443 1.00 0.00 C ATOM 0 H ALA A 41 -6.446 15.251 5.972 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.086 15.079 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.216 15.912 9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.516 17.045 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.872 15.994 7.841 1.00 0.00 H new ATOM 688 N VAL A 45 -12.382 16.054 5.374 1.00 0.00 N ATOM 689 CA VAL A 45 -13.717 16.123 4.804 1.00 0.00 C ATOM 690 C VAL A 45 -13.721 15.430 3.440 1.00 0.00 C ATOM 691 O VAL A 45 -14.727 14.846 3.040 1.00 0.00 O ATOM 692 CB VAL A 45 -14.183 17.579 4.737 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.720 18.046 6.091 1.00 0.00 C ATOM 694 CG2 VAL A 45 -13.057 18.492 4.248 1.00 0.00 C ATOM 0 HA VAL A 45 -14.431 15.597 5.438 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.999 17.637 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.044 19.084 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.565 17.422 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.934 17.965 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.414 19.521 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.212 18.427 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.742 18.180 3.252 1.00 0.00 H new ATOM 704 N ALA A 46 -12.585 15.517 2.764 1.00 0.00 N ATOM 705 CA ALA A 46 -12.446 14.906 1.454 1.00 0.00 C ATOM 706 C ALA A 46 -10.970 14.594 1.196 1.00 0.00 C ATOM 707 O ALA A 46 -10.093 15.116 1.882 1.00 0.00 O ATOM 708 CB ALA A 46 -13.040 15.833 0.391 1.00 0.00 C ATOM 0 H ALA A 46 -11.752 16.002 3.099 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.995 13.966 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.935 15.374 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.096 16.000 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.512 16.787 0.404 1.00 0.00 H new ATOM 714 N ALA A 47 -10.742 13.745 0.204 1.00 0.00 N ATOM 715 CA ALA A 47 -9.388 13.358 -0.153 1.00 0.00 C ATOM 716 C ALA A 47 -8.803 14.393 -1.116 1.00 0.00 C ATOM 717 O ALA A 47 -9.530 14.988 -1.910 1.00 0.00 O ATOM 718 CB ALA A 47 -9.400 11.949 -0.749 1.00 0.00 C ATOM 0 H ALA A 47 -11.472 13.315 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.751 13.333 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.384 11.659 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.797 11.247 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.028 11.936 -1.640 1.00 0.00 H new ATOM 724 N LEU A 48 -7.495 14.577 -1.014 1.00 0.00 N ATOM 725 CA LEU A 48 -6.804 15.530 -1.866 1.00 0.00 C ATOM 726 C LEU A 48 -6.760 14.989 -3.297 1.00 0.00 C ATOM 727 O LEU A 48 -6.960 15.737 -4.253 1.00 0.00 O ATOM 728 CB LEU A 48 -5.426 15.861 -1.292 1.00 0.00 C ATOM 729 CG LEU A 48 -5.391 16.241 0.190 1.00 0.00 C ATOM 730 CD1 LEU A 48 -3.977 16.635 0.622 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.411 17.338 0.500 1.00 0.00 C ATOM 0 H LEU A 48 -6.895 14.082 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.346 16.475 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.775 14.999 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.002 16.684 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.674 15.365 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.980 16.900 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.300 15.796 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.642 17.490 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.365 17.589 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.184 18.224 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.412 16.984 0.254 1.00 0.00 H new ATOM 743 N GLU A 49 -6.497 13.695 -3.399 1.00 0.00 N ATOM 744 CA GLU A 49 -6.425 13.046 -4.697 1.00 0.00 C ATOM 745 C GLU A 49 -6.844 11.579 -4.581 1.00 0.00 C ATOM 746 O GLU A 49 -7.036 11.070 -3.478 1.00 0.00 O ATOM 747 CB GLU A 49 -5.021 13.169 -5.294 1.00 0.00 C ATOM 748 CG GLU A 49 -4.755 14.596 -5.777 1.00 0.00 C ATOM 749 CD GLU A 49 -5.730 14.989 -6.890 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.792 14.233 -7.883 1.00 0.00 O ATOM 751 OE2 GLU A 49 -6.390 16.037 -6.722 1.00 0.00 O ATOM 0 H GLU A 49 -6.331 13.078 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.117 13.549 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.278 12.890 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.913 12.473 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.851 15.290 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.731 14.676 -6.141 1.00 0.00 H new ATOM 758 N SER A 50 -6.973 10.940 -5.735 1.00 0.00 N ATOM 759 CA SER A 50 -7.366 9.542 -5.777 1.00 0.00 C ATOM 760 C SER A 50 -6.579 8.810 -6.866 1.00 0.00 C ATOM 761 O SER A 50 -6.313 9.372 -7.928 1.00 0.00 O ATOM 762 CB SER A 50 -8.869 9.399 -6.021 1.00 0.00 C ATOM 763 OG SER A 50 -9.391 10.483 -6.785 1.00 0.00 O ATOM 0 H SER A 50 -6.812 11.365 -6.648 1.00 0.00 H new ATOM 0 HA SER A 50 -7.139 9.094 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.064 8.461 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.388 9.347 -5.064 1.00 0.00 H new ATOM 0 HG SER A 50 -10.353 10.354 -6.921 1.00 0.00 H new ATOM 769 N GLN A 51 -6.230 7.568 -6.566 1.00 0.00 N ATOM 770 CA GLN A 51 -5.479 6.754 -7.506 1.00 0.00 C ATOM 771 C GLN A 51 -5.662 5.269 -7.186 1.00 0.00 C ATOM 772 O GLN A 51 -5.423 4.839 -6.059 1.00 0.00 O ATOM 773 CB GLN A 51 -3.998 7.137 -7.504 1.00 0.00 C ATOM 774 CG GLN A 51 -3.310 6.674 -8.789 1.00 0.00 C ATOM 775 CD GLN A 51 -3.971 7.297 -10.020 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.600 8.341 -9.958 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.795 6.601 -11.140 1.00 0.00 N ATOM 0 H GLN A 51 -6.454 7.105 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.866 6.941 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.898 8.218 -7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.504 6.690 -6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.255 6.948 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.355 5.587 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.257 5.734 -11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.198 6.934 -12.016 1.00 0.00 H new ATOM 786 N PRO A 52 -6.095 4.505 -8.225 1.00 0.00 N ATOM 787 CA PRO A 52 -6.312 3.078 -8.066 1.00 0.00 C ATOM 788 C PRO A 52 -4.982 2.322 -8.020 1.00 0.00 C ATOM 789 O PRO A 52 -4.113 2.536 -8.864 1.00 0.00 O ATOM 790 CB PRO A 52 -7.182 2.678 -9.246 1.00 0.00 C ATOM 791 CG PRO A 52 -7.035 3.793 -10.269 1.00 0.00 C ATOM 792 CD PRO A 52 -6.388 4.980 -9.575 1.00 0.00 C ATOM 0 HA PRO A 52 -6.802 2.830 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.862 1.722 -9.661 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.222 2.561 -8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.424 3.462 -11.109 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.008 4.071 -10.673 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.480 5.294 -10.090 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.057 5.840 -9.556 1.00 0.00 H new ATOM 800 N LEU A 53 -4.866 1.454 -7.026 1.00 0.00 N ATOM 801 CA LEU A 53 -3.656 0.666 -6.859 1.00 0.00 C ATOM 802 C LEU A 53 -3.541 -0.333 -8.012 1.00 0.00 C ATOM 803 O LEU A 53 -2.438 -0.661 -8.446 1.00 0.00 O ATOM 804 CB LEU A 53 -3.628 0.014 -5.475 1.00 0.00 C ATOM 805 CG LEU A 53 -3.491 0.969 -4.287 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.303 0.473 -3.089 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.020 1.191 -3.930 1.00 0.00 C ATOM 0 H LEU A 53 -5.589 1.279 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.775 1.306 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.544 -0.563 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.799 -0.693 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.902 1.936 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.188 1.169 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.355 0.407 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.944 -0.512 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.950 1.873 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.562 0.238 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.499 1.620 -4.786 1.00 0.00 H new ATOM 819 N LEU A 54 -4.695 -0.791 -8.474 1.00 0.00 N ATOM 820 CA LEU A 54 -4.738 -1.746 -9.568 1.00 0.00 C ATOM 821 C LEU A 54 -3.798 -1.281 -10.682 1.00 0.00 C ATOM 822 O LEU A 54 -4.061 -0.278 -11.343 1.00 0.00 O ATOM 823 CB LEU A 54 -6.179 -1.966 -10.032 1.00 0.00 C ATOM 824 CG LEU A 54 -6.404 -3.138 -10.989 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.472 -3.044 -12.199 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.265 -4.476 -10.260 1.00 0.00 C ATOM 0 H LEU A 54 -5.608 -0.518 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.382 -2.721 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.804 -2.116 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.526 -1.054 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.426 -3.081 -11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.652 -3.889 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.663 -2.114 -12.734 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.436 -3.062 -11.862 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.430 -5.292 -10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.264 -4.558 -9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.003 -4.532 -9.459 1.00 0.00 H new ATOM 838 N GLY A 55 -2.721 -2.033 -10.856 1.00 0.00 N ATOM 839 CA GLY A 55 -1.740 -1.711 -11.879 1.00 0.00 C ATOM 840 C GLY A 55 -0.388 -1.364 -11.252 1.00 0.00 C ATOM 841 O GLY A 55 0.658 -1.740 -11.778 1.00 0.00 O ATOM 0 H GLY A 55 -2.506 -2.865 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.624 -2.557 -12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.094 -0.871 -12.476 1.00 0.00 H new ATOM 845 N PHE A 56 -0.454 -0.652 -10.137 1.00 0.00 N ATOM 846 CA PHE A 56 0.752 -0.250 -9.433 1.00 0.00 C ATOM 847 C PHE A 56 1.417 -1.451 -8.756 1.00 0.00 C ATOM 848 O PHE A 56 0.998 -2.590 -8.954 1.00 0.00 O ATOM 849 CB PHE A 56 0.330 0.756 -8.361 1.00 0.00 C ATOM 850 CG PHE A 56 0.135 2.180 -8.885 1.00 0.00 C ATOM 851 CD1 PHE A 56 1.184 3.045 -8.910 1.00 0.00 C ATOM 852 CD2 PHE A 56 -1.087 2.580 -9.326 1.00 0.00 C ATOM 853 CE1 PHE A 56 1.003 4.366 -9.397 1.00 0.00 C ATOM 854 CE2 PHE A 56 -1.268 3.902 -9.813 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.219 4.767 -9.838 1.00 0.00 C ATOM 0 H PHE A 56 -1.324 -0.343 -9.703 1.00 0.00 H new ATOM 0 HA PHE A 56 1.467 0.180 -10.135 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.601 0.417 -7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.084 0.770 -7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.155 2.727 -8.559 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.920 1.893 -9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.836 5.053 -9.417 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.239 4.220 -10.163 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.357 5.772 -10.208 1.00 0.00 H new ATOM 865 N THR A 57 2.443 -1.154 -7.972 1.00 0.00 N ATOM 866 CA THR A 57 3.170 -2.194 -7.265 1.00 0.00 C ATOM 867 C THR A 57 3.799 -1.632 -5.989 1.00 0.00 C ATOM 868 O THR A 57 3.857 -0.417 -5.804 1.00 0.00 O ATOM 869 CB THR A 57 4.191 -2.798 -8.231 1.00 0.00 C ATOM 870 OG1 THR A 57 3.503 -2.846 -9.478 1.00 0.00 O ATOM 871 CG2 THR A 57 4.498 -4.264 -7.918 1.00 0.00 C ATOM 0 H THR A 57 2.788 -0.208 -7.811 1.00 0.00 H new ATOM 0 HA THR A 57 2.502 -2.990 -6.937 1.00 0.00 H new ATOM 0 HB THR A 57 5.113 -2.218 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.093 -3.224 -10.163 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.228 -4.644 -8.633 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.903 -4.344 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.582 -4.851 -7.988 1.00 0.00 H new ATOM 879 N VAL A 58 4.255 -2.542 -5.141 1.00 0.00 N ATOM 880 CA VAL A 58 4.879 -2.153 -3.888 1.00 0.00 C ATOM 881 C VAL A 58 6.027 -3.113 -3.574 1.00 0.00 C ATOM 882 O VAL A 58 6.046 -4.243 -4.059 1.00 0.00 O ATOM 883 CB VAL A 58 3.828 -2.094 -2.777 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.368 -2.697 -1.479 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.344 -0.659 -2.556 1.00 0.00 C ATOM 0 H VAL A 58 4.205 -3.549 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 58 5.305 -1.153 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 58 2.972 -2.691 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.601 -2.643 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.640 -3.739 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.248 -2.140 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.598 -0.645 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.188 -0.030 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.901 -0.279 -3.476 1.00 0.00 H new ATOM 895 N THR A 59 6.957 -2.628 -2.764 1.00 0.00 N ATOM 896 CA THR A 59 8.107 -3.430 -2.380 1.00 0.00 C ATOM 897 C THR A 59 8.806 -2.812 -1.168 1.00 0.00 C ATOM 898 O THR A 59 8.750 -1.600 -0.965 1.00 0.00 O ATOM 899 CB THR A 59 9.017 -3.567 -3.602 1.00 0.00 C ATOM 900 OG1 THR A 59 9.707 -4.795 -3.385 1.00 0.00 O ATOM 901 CG2 THR A 59 10.128 -2.515 -3.626 1.00 0.00 C ATOM 0 H THR A 59 6.938 -1.690 -2.363 1.00 0.00 H new ATOM 0 HA THR A 59 7.806 -4.430 -2.068 1.00 0.00 H new ATOM 0 HB THR A 59 8.420 -3.485 -4.510 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.318 -4.963 -4.132 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.745 -2.657 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.686 -1.519 -3.647 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.746 -2.618 -2.734 1.00 0.00 H new ATOM 909 N LEU A 60 9.449 -3.674 -0.393 1.00 0.00 N ATOM 910 CA LEU A 60 10.158 -3.228 0.794 1.00 0.00 C ATOM 911 C LEU A 60 11.480 -2.577 0.379 1.00 0.00 C ATOM 912 O LEU A 60 12.137 -3.038 -0.553 1.00 0.00 O ATOM 913 CB LEU A 60 10.326 -4.383 1.784 1.00 0.00 C ATOM 914 CG LEU A 60 10.743 -3.995 3.203 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.252 -3.759 3.286 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.946 -2.786 3.698 1.00 0.00 C ATOM 0 H LEU A 60 9.493 -4.679 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 60 9.579 -2.469 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.383 -4.927 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.069 -5.073 1.384 1.00 0.00 H new ATOM 0 HG LEU A 60 10.510 -4.828 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.522 -3.484 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.779 -4.671 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.532 -2.953 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.262 -2.531 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.124 -1.937 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.883 -3.027 3.700 1.00 0.00 H new ATOM 928 N VAL A 61 11.829 -1.516 1.092 1.00 0.00 N ATOM 929 CA VAL A 61 13.060 -0.798 0.809 1.00 0.00 C ATOM 930 C VAL A 61 13.915 -0.742 2.077 1.00 0.00 C ATOM 931 O VAL A 61 13.385 -0.698 3.186 1.00 0.00 O ATOM 932 CB VAL A 61 12.740 0.587 0.242 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.674 1.290 1.085 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.004 1.441 0.133 1.00 0.00 C ATOM 0 H VAL A 61 11.281 -1.137 1.864 1.00 0.00 H new ATOM 0 HA VAL A 61 13.640 -1.320 0.048 1.00 0.00 H new ATOM 0 HB VAL A 61 12.339 0.454 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.464 2.272 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.761 0.694 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.036 1.405 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.748 2.420 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.447 1.562 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.719 0.950 -0.527 1.00 0.00 H new ATOM 1033 N SER A 68 13.025 -1.789 7.562 1.00 0.00 N ATOM 1034 CA SER A 68 11.867 -2.537 7.102 1.00 0.00 C ATOM 1035 C SER A 68 10.584 -1.895 7.634 1.00 0.00 C ATOM 1036 O SER A 68 9.613 -2.590 7.927 1.00 0.00 O ATOM 1037 CB SER A 68 11.948 -4.001 7.537 1.00 0.00 C ATOM 1038 OG SER A 68 10.951 -4.801 6.907 1.00 0.00 O ATOM 0 HA SER A 68 11.854 -2.511 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.935 -4.396 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.833 -4.065 8.619 1.00 0.00 H new ATOM 0 HG SER A 68 10.072 -4.384 7.028 1.00 0.00 H new ATOM 1044 N LYS A 69 10.622 -0.575 7.741 1.00 0.00 N ATOM 1045 CA LYS A 69 9.474 0.169 8.233 1.00 0.00 C ATOM 1046 C LYS A 69 9.063 1.211 7.191 1.00 0.00 C ATOM 1047 O LYS A 69 8.338 2.154 7.504 1.00 0.00 O ATOM 1048 CB LYS A 69 9.770 0.761 9.612 1.00 0.00 C ATOM 1049 CG LYS A 69 10.551 -0.229 10.478 1.00 0.00 C ATOM 1050 CD LYS A 69 11.046 0.438 11.763 1.00 0.00 C ATOM 1051 CE LYS A 69 12.385 -0.154 12.207 1.00 0.00 C ATOM 1052 NZ LYS A 69 13.209 0.876 12.880 1.00 0.00 N ATOM 0 H LYS A 69 11.429 -0.001 7.496 1.00 0.00 H new ATOM 0 HA LYS A 69 8.621 -0.495 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.342 1.682 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.835 1.024 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.916 -1.079 10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.400 -0.618 9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.154 1.511 11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.307 0.307 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.213 -0.990 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.920 -0.548 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.114 0.458 13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.388 1.661 12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.704 1.233 13.716 1.00 0.00 H new ATOM 1066 N VAL A 70 9.545 1.007 5.974 1.00 0.00 N ATOM 1067 CA VAL A 70 9.237 1.917 4.884 1.00 0.00 C ATOM 1068 C VAL A 70 9.218 1.140 3.566 1.00 0.00 C ATOM 1069 O VAL A 70 10.044 0.254 3.352 1.00 0.00 O ATOM 1070 CB VAL A 70 10.230 3.081 4.878 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.665 2.578 5.042 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.084 3.920 3.607 1.00 0.00 C ATOM 0 H VAL A 70 10.147 0.224 5.719 1.00 0.00 H new ATOM 0 HA VAL A 70 8.247 2.353 5.018 1.00 0.00 H new ATOM 0 HB VAL A 70 10.001 3.722 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.351 3.425 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.758 2.045 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.911 1.905 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.801 4.740 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.274 3.295 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.073 4.323 3.551 1.00 0.00 H new ATOM 1082 N PHE A 71 8.268 1.502 2.716 1.00 0.00 N ATOM 1083 CA PHE A 71 8.132 0.850 1.425 1.00 0.00 C ATOM 1084 C PHE A 71 8.072 1.879 0.295 1.00 0.00 C ATOM 1085 O PHE A 71 8.039 3.083 0.547 1.00 0.00 O ATOM 1086 CB PHE A 71 6.817 0.067 1.456 1.00 0.00 C ATOM 1087 CG PHE A 71 5.670 0.805 2.149 1.00 0.00 C ATOM 1088 CD1 PHE A 71 5.719 1.031 3.489 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.601 1.233 1.425 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.654 1.716 4.133 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.537 1.918 2.069 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.585 2.144 3.409 1.00 0.00 C ATOM 0 H PHE A 71 7.585 2.238 2.896 1.00 0.00 H new ATOM 0 HA PHE A 71 8.988 0.201 1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.520 -0.166 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.984 -0.883 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.567 0.690 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.562 1.052 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.693 1.897 5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.689 2.260 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.774 2.663 3.898 1.00 0.00 H new ATOM 1102 N GLN A 72 8.060 1.369 -0.928 1.00 0.00 N ATOM 1103 CA GLN A 72 8.005 2.229 -2.098 1.00 0.00 C ATOM 1104 C GLN A 72 6.860 1.801 -3.018 1.00 0.00 C ATOM 1105 O GLN A 72 6.557 0.614 -3.126 1.00 0.00 O ATOM 1106 CB GLN A 72 9.340 2.224 -2.845 1.00 0.00 C ATOM 1107 CG GLN A 72 10.365 3.116 -2.143 1.00 0.00 C ATOM 1108 CD GLN A 72 11.652 3.223 -2.963 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.160 4.300 -3.231 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.150 2.051 -3.346 1.00 0.00 N ATOM 0 H GLN A 72 8.087 0.370 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 72 7.816 3.250 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.722 1.205 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.190 2.571 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.943 4.109 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.591 2.710 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.675 1.186 -3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.007 2.017 -3.898 1.00 0.00 H new ATOM 1119 N LEU A 73 6.255 2.791 -3.657 1.00 0.00 N ATOM 1120 CA LEU A 73 5.150 2.532 -4.564 1.00 0.00 C ATOM 1121 C LEU A 73 5.684 2.428 -5.994 1.00 0.00 C ATOM 1122 O LEU A 73 5.900 3.442 -6.656 1.00 0.00 O ATOM 1123 CB LEU A 73 4.056 3.588 -4.391 1.00 0.00 C ATOM 1124 CG LEU A 73 2.781 3.373 -5.209 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.069 2.087 -4.786 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.862 4.593 -5.123 1.00 0.00 C ATOM 0 H LEU A 73 6.509 3.774 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 73 4.679 1.577 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.784 3.632 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.473 4.560 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 73 3.062 3.256 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.166 1.958 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.732 1.236 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.801 2.150 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.963 4.414 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.585 4.767 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.382 5.469 -5.511 1.00 0.00 H new ATOM 1138 N LEU A 74 5.881 1.192 -6.429 1.00 0.00 N ATOM 1139 CA LEU A 74 6.385 0.941 -7.769 1.00 0.00 C ATOM 1140 C LEU A 74 5.229 1.024 -8.768 1.00 0.00 C ATOM 1141 O LEU A 74 4.101 0.651 -8.449 1.00 0.00 O ATOM 1142 CB LEU A 74 7.145 -0.386 -7.816 1.00 0.00 C ATOM 1143 CG LEU A 74 8.577 -0.358 -7.276 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.805 -1.487 -6.269 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.594 -0.395 -8.418 1.00 0.00 C ATOM 0 H LEU A 74 5.701 0.353 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 74 7.108 1.706 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.579 -1.126 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.174 -0.729 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 74 8.724 0.582 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.830 -1.445 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.114 -1.374 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.633 -2.448 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.603 -0.374 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.457 -1.308 -8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.447 0.471 -9.064 1.00 0.00 H new ATOM 1157 N HIS A 75 5.550 1.514 -9.956 1.00 0.00 N ATOM 1158 CA HIS A 75 4.553 1.650 -11.004 1.00 0.00 C ATOM 1159 C HIS A 75 5.146 1.197 -12.339 1.00 0.00 C ATOM 1160 O HIS A 75 6.049 1.841 -12.871 1.00 0.00 O ATOM 1161 CB HIS A 75 4.006 3.078 -11.051 1.00 0.00 C ATOM 1162 CG HIS A 75 3.222 3.394 -12.303 1.00 0.00 C ATOM 1163 ND1 HIS A 75 3.794 3.401 -13.563 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.907 3.714 -12.474 1.00 0.00 C ATOM 1165 CE1 HIS A 75 2.856 3.712 -14.446 1.00 0.00 C ATOM 1166 NE2 HIS A 75 1.688 3.906 -13.769 1.00 0.00 N ATOM 0 H HIS A 75 6.487 1.822 -10.216 1.00 0.00 H new ATOM 0 HA HIS A 75 3.702 1.004 -10.787 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.366 3.240 -10.183 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.838 3.778 -10.969 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.771 3.201 -13.776 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.170 3.797 -11.689 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.992 3.797 -15.514 1.00 0.00 H new ATOM 1174 N LYS A 76 4.614 0.093 -12.843 1.00 0.00 N ATOM 1175 CA LYS A 76 5.080 -0.453 -14.106 1.00 0.00 C ATOM 1176 C LYS A 76 6.502 -0.989 -13.932 1.00 0.00 C ATOM 1177 O LYS A 76 7.156 -1.353 -14.908 1.00 0.00 O ATOM 1178 CB LYS A 76 4.947 0.586 -15.221 1.00 0.00 C ATOM 1179 CG LYS A 76 3.594 0.465 -15.925 1.00 0.00 C ATOM 1180 CD LYS A 76 3.421 1.566 -16.973 1.00 0.00 C ATOM 1181 CE LYS A 76 3.773 1.052 -18.371 1.00 0.00 C ATOM 1182 NZ LYS A 76 2.544 0.728 -19.129 1.00 0.00 N ATOM 0 H LYS A 76 3.865 -0.438 -12.399 1.00 0.00 H new ATOM 0 HA LYS A 76 4.457 -1.294 -14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.056 1.587 -14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.751 0.453 -15.945 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.514 -0.512 -16.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.791 0.528 -15.191 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.392 1.925 -16.962 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.057 2.415 -16.723 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.350 1.805 -18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.402 0.166 -18.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.801 0.381 -20.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.008 -0.007 -18.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.958 1.582 -19.221 1.00 0.00 H new ATOM 1196 N GLY A 77 6.940 -1.020 -12.681 1.00 0.00 N ATOM 1197 CA GLY A 77 8.273 -1.505 -12.367 1.00 0.00 C ATOM 1198 C GLY A 77 9.198 -0.351 -11.977 1.00 0.00 C ATOM 1199 O GLY A 77 10.383 -0.560 -11.722 1.00 0.00 O ATOM 0 H GLY A 77 6.395 -0.717 -11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.219 -2.225 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.685 -2.031 -13.228 1.00 0.00 H new ATOM 1203 N MET A 78 8.623 0.841 -11.943 1.00 0.00 N ATOM 1204 CA MET A 78 9.381 2.029 -11.589 1.00 0.00 C ATOM 1205 C MET A 78 8.792 2.707 -10.351 1.00 0.00 C ATOM 1206 O MET A 78 7.582 2.914 -10.268 1.00 0.00 O ATOM 1207 CB MET A 78 9.371 3.011 -12.762 1.00 0.00 C ATOM 1208 CG MET A 78 9.827 4.402 -12.318 1.00 0.00 C ATOM 1209 SD MET A 78 11.060 5.029 -13.446 1.00 0.00 S ATOM 1210 CE MET A 78 12.422 5.265 -12.316 1.00 0.00 C ATOM 0 H MET A 78 7.640 1.010 -12.155 1.00 0.00 H new ATOM 0 HA MET A 78 10.404 1.729 -11.364 1.00 0.00 H new ATOM 0 HB2 MET A 78 10.026 2.645 -13.553 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.367 3.071 -13.182 1.00 0.00 H new ATOM 0 HG2 MET A 78 8.974 5.080 -12.285 1.00 0.00 H new ATOM 0 HG3 MET A 78 10.236 4.355 -11.309 1.00 0.00 H new ATOM 0 HE1 MET A 78 13.282 5.656 -12.860 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.132 5.972 -11.539 1.00 0.00 H new ATOM 0 HE3 MET A 78 12.685 4.311 -11.858 1.00 0.00 H new ATOM 1220 N VAL A 79 9.674 3.034 -9.418 1.00 0.00 N ATOM 1221 CA VAL A 79 9.256 3.685 -8.188 1.00 0.00 C ATOM 1222 C VAL A 79 8.464 4.949 -8.528 1.00 0.00 C ATOM 1223 O VAL A 79 8.873 5.730 -9.385 1.00 0.00 O ATOM 1224 CB VAL A 79 10.473 3.962 -7.303 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.073 4.744 -6.050 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.190 2.662 -6.932 1.00 0.00 C ATOM 0 H VAL A 79 10.677 2.860 -9.489 1.00 0.00 H new ATOM 0 HA VAL A 79 8.596 3.033 -7.616 1.00 0.00 H new ATOM 0 HB VAL A 79 11.169 4.577 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.956 4.928 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.629 5.696 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.348 4.166 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.051 2.888 -6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.505 2.011 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.526 2.160 -7.839 1.00 0.00 H new ATOM 1236 N PHE A 80 7.344 5.110 -7.838 1.00 0.00 N ATOM 1237 CA PHE A 80 6.491 6.266 -8.056 1.00 0.00 C ATOM 1238 C PHE A 80 6.492 7.187 -6.834 1.00 0.00 C ATOM 1239 O PHE A 80 6.333 8.399 -6.965 1.00 0.00 O ATOM 1240 CB PHE A 80 5.073 5.739 -8.282 1.00 0.00 C ATOM 1241 CG PHE A 80 4.033 6.834 -8.525 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.051 7.543 -9.686 1.00 0.00 C ATOM 1243 CD2 PHE A 80 3.091 7.099 -7.581 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.086 8.560 -9.912 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.126 8.116 -7.807 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.144 8.825 -8.968 1.00 0.00 C ATOM 0 H PHE A 80 7.008 4.459 -7.128 1.00 0.00 H new ATOM 0 HA PHE A 80 6.853 6.840 -8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.080 5.063 -9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.772 5.153 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.799 7.332 -10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.077 6.536 -6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.100 9.123 -10.834 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.378 8.327 -7.057 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.410 9.598 -9.140 1.00 0.00 H new ATOM 1256 N TYR A 81 6.672 6.575 -5.672 1.00 0.00 N ATOM 1257 CA TYR A 81 6.696 7.325 -4.428 1.00 0.00 C ATOM 1258 C TYR A 81 7.138 6.438 -3.262 1.00 0.00 C ATOM 1259 O TYR A 81 7.040 5.214 -3.336 1.00 0.00 O ATOM 1260 CB TYR A 81 5.257 7.785 -4.185 1.00 0.00 C ATOM 1261 CG TYR A 81 4.941 9.168 -4.757 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.796 10.225 -4.518 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.802 9.359 -5.513 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.499 11.527 -5.056 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.505 10.662 -6.051 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.368 11.681 -5.796 1.00 0.00 C ATOM 1267 OH TYR A 81 4.088 12.911 -6.304 1.00 0.00 O ATOM 0 H TYR A 81 6.802 5.569 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 81 7.396 8.158 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.575 7.057 -4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.066 7.795 -3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.688 10.075 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.134 8.532 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.159 12.363 -4.876 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.617 10.826 -6.643 1.00 0.00 H new ATOM 0 HH TYR A 81 3.251 12.872 -6.812 1.00 0.00 H new ATOM 1277 N VAL A 82 7.615 7.090 -2.212 1.00 0.00 N ATOM 1278 CA VAL A 82 8.073 6.376 -1.032 1.00 0.00 C ATOM 1279 C VAL A 82 7.058 6.562 0.097 1.00 0.00 C ATOM 1280 O VAL A 82 6.292 7.525 0.096 1.00 0.00 O ATOM 1281 CB VAL A 82 9.481 6.840 -0.653 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.141 5.855 0.314 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.344 7.047 -1.899 1.00 0.00 C ATOM 0 H VAL A 82 7.694 8.105 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 82 8.141 5.307 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 82 9.392 7.800 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.141 6.208 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.542 5.779 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.211 4.875 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.339 7.377 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.421 6.109 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.887 7.804 -2.537 1.00 0.00 H new ATOM 1293 N PHE A 83 7.084 5.625 1.033 1.00 0.00 N ATOM 1294 CA PHE A 83 6.175 5.673 2.166 1.00 0.00 C ATOM 1295 C PHE A 83 6.787 4.989 3.390 1.00 0.00 C ATOM 1296 O PHE A 83 7.148 3.815 3.333 1.00 0.00 O ATOM 1297 CB PHE A 83 4.908 4.920 1.756 1.00 0.00 C ATOM 1298 CG PHE A 83 4.076 5.635 0.690 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.373 6.753 1.013 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.040 5.153 -0.582 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.600 7.417 0.023 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.268 5.817 -1.571 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.564 6.935 -1.248 1.00 0.00 C ATOM 0 H PHE A 83 7.720 4.828 1.030 1.00 0.00 H new ATOM 0 HA PHE A 83 5.965 6.709 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.188 3.935 1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.289 4.762 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.402 7.136 2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.599 4.265 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.041 8.305 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.240 5.434 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.977 7.440 -2.001 1.00 0.00 H new ATOM 1313 N LYS A 84 6.886 5.754 4.468 1.00 0.00 N ATOM 1314 CA LYS A 84 7.448 5.236 5.703 1.00 0.00 C ATOM 1315 C LYS A 84 6.315 4.924 6.683 1.00 0.00 C ATOM 1316 O LYS A 84 5.303 5.622 6.710 1.00 0.00 O ATOM 1317 CB LYS A 84 8.495 6.203 6.262 1.00 0.00 C ATOM 1318 CG LYS A 84 8.917 5.797 7.676 1.00 0.00 C ATOM 1319 CD LYS A 84 9.564 6.971 8.413 1.00 0.00 C ATOM 1320 CE LYS A 84 10.951 6.593 8.935 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.216 7.258 10.230 1.00 0.00 N ATOM 0 H LYS A 84 6.586 6.728 4.511 1.00 0.00 H new ATOM 0 HA LYS A 84 7.977 4.301 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.367 6.218 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.090 7.215 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.047 5.448 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.618 4.964 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.645 7.826 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.929 7.277 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.019 5.512 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.711 6.882 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.162 6.991 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.171 8.290 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.501 6.962 10.925 1.00 0.00 H new ATOM 1335 N ALA A 85 6.523 3.873 7.463 1.00 0.00 N ATOM 1336 CA ALA A 85 5.532 3.460 8.442 1.00 0.00 C ATOM 1337 C ALA A 85 6.021 3.828 9.844 1.00 0.00 C ATOM 1338 O ALA A 85 7.219 4.005 10.061 1.00 0.00 O ATOM 1339 CB ALA A 85 5.262 1.961 8.293 1.00 0.00 C ATOM 0 H ALA A 85 7.363 3.295 7.437 1.00 0.00 H new ATOM 0 HA ALA A 85 4.588 3.980 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.519 1.650 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.888 1.757 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.186 1.407 8.456 1.00 0.00 H new ATOM 1345 N ASP A 86 5.069 3.933 10.759 1.00 0.00 N ATOM 1346 CA ASP A 86 5.387 4.278 12.134 1.00 0.00 C ATOM 1347 C ASP A 86 6.138 3.115 12.786 1.00 0.00 C ATOM 1348 O ASP A 86 7.206 3.307 13.366 1.00 0.00 O ATOM 1349 CB ASP A 86 4.117 4.535 12.947 1.00 0.00 C ATOM 1350 CG ASP A 86 3.763 6.010 13.144 1.00 0.00 C ATOM 1351 OD1 ASP A 86 4.671 6.760 13.562 1.00 0.00 O ATOM 1352 OD2 ASP A 86 2.592 6.354 12.872 1.00 0.00 O ATOM 0 H ASP A 86 4.077 3.785 10.575 1.00 0.00 H new ATOM 0 HA ASP A 86 5.996 5.182 12.122 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.281 4.039 12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.230 4.070 13.926 1.00 0.00 H new ATOM 1357 N ASP A 87 5.550 1.933 12.669 1.00 0.00 N ATOM 1358 CA ASP A 87 6.149 0.739 13.240 1.00 0.00 C ATOM 1359 C ASP A 87 6.489 -0.243 12.116 1.00 0.00 C ATOM 1360 O ASP A 87 6.248 0.043 10.944 1.00 0.00 O ATOM 1361 CB ASP A 87 5.183 0.042 14.200 1.00 0.00 C ATOM 1362 CG ASP A 87 4.914 0.794 15.505 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.786 1.605 15.883 1.00 0.00 O ATOM 1364 OD2 ASP A 87 3.841 0.541 16.095 1.00 0.00 O ATOM 0 H ASP A 87 4.665 1.777 12.187 1.00 0.00 H new ATOM 0 HA ASP A 87 7.044 1.039 13.785 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.234 -0.115 13.687 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.582 -0.943 14.441 1.00 0.00 H new ATOM 1369 N ALA A 88 7.043 -1.379 12.513 1.00 0.00 N ATOM 1370 CA ALA A 88 7.418 -2.404 11.555 1.00 0.00 C ATOM 1371 C ALA A 88 6.164 -3.150 11.095 1.00 0.00 C ATOM 1372 O ALA A 88 5.872 -3.204 9.901 1.00 0.00 O ATOM 1373 CB ALA A 88 8.454 -3.338 12.184 1.00 0.00 C ATOM 0 H ALA A 88 7.241 -1.612 13.486 1.00 0.00 H new ATOM 0 HA ALA A 88 7.877 -1.955 10.674 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.735 -4.107 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.337 -2.765 12.466 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.029 -3.809 13.071 1.00 0.00 H new ATOM 1379 N HIS A 89 5.455 -3.706 12.066 1.00 0.00 N ATOM 1380 CA HIS A 89 4.239 -4.446 11.776 1.00 0.00 C ATOM 1381 C HIS A 89 3.365 -3.639 10.814 1.00 0.00 C ATOM 1382 O HIS A 89 2.777 -4.197 9.888 1.00 0.00 O ATOM 1383 CB HIS A 89 3.509 -4.820 13.068 1.00 0.00 C ATOM 1384 CG HIS A 89 4.011 -6.091 13.710 1.00 0.00 C ATOM 1385 ND1 HIS A 89 3.396 -7.317 13.527 1.00 0.00 N ATOM 1386 CD2 HIS A 89 5.075 -6.313 14.535 1.00 0.00 C ATOM 1387 CE1 HIS A 89 4.067 -8.229 14.215 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.107 -7.605 14.840 1.00 0.00 N ATOM 0 H HIS A 89 5.700 -3.659 13.055 1.00 0.00 H new ATOM 0 HA HIS A 89 4.489 -5.386 11.284 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.609 -4.001 13.780 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.446 -4.928 12.854 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.773 -5.565 14.881 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.832 -9.282 14.271 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.795 -8.056 15.442 1.00 0.00 H new ATOM 1396 N SER A 90 3.306 -2.340 11.066 1.00 0.00 N ATOM 1397 CA SER A 90 2.513 -1.451 10.233 1.00 0.00 C ATOM 1398 C SER A 90 2.954 -1.570 8.773 1.00 0.00 C ATOM 1399 O SER A 90 2.161 -1.946 7.911 1.00 0.00 O ATOM 1400 CB SER A 90 2.633 -0.001 10.707 1.00 0.00 C ATOM 1401 OG SER A 90 1.886 0.235 11.898 1.00 0.00 O ATOM 0 H SER A 90 3.794 -1.881 11.835 1.00 0.00 H new ATOM 0 HA SER A 90 1.467 -1.747 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.682 0.237 10.884 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.283 0.668 9.921 1.00 0.00 H new ATOM 0 HG SER A 90 1.990 1.171 12.169 1.00 0.00 H new ATOM 1407 N THR A 91 4.217 -1.244 8.541 1.00 0.00 N ATOM 1408 CA THR A 91 4.772 -1.310 7.200 1.00 0.00 C ATOM 1409 C THR A 91 4.257 -2.552 6.470 1.00 0.00 C ATOM 1410 O THR A 91 3.764 -2.457 5.347 1.00 0.00 O ATOM 1411 CB THR A 91 6.297 -1.263 7.317 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.624 0.097 7.044 1.00 0.00 O ATOM 1413 CG2 THR A 91 6.995 -2.045 6.202 1.00 0.00 C ATOM 0 H THR A 91 4.872 -0.933 9.259 1.00 0.00 H new ATOM 0 HA THR A 91 4.451 -0.461 6.597 1.00 0.00 H new ATOM 0 HB THR A 91 6.599 -1.664 8.285 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.776 0.210 6.082 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.075 -1.979 6.332 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.688 -3.090 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.720 -1.624 5.235 1.00 0.00 H new ATOM 1421 N GLN A 92 4.389 -3.689 7.137 1.00 0.00 N ATOM 1422 CA GLN A 92 3.943 -4.948 6.566 1.00 0.00 C ATOM 1423 C GLN A 92 2.474 -4.852 6.151 1.00 0.00 C ATOM 1424 O GLN A 92 2.099 -5.309 5.072 1.00 0.00 O ATOM 1425 CB GLN A 92 4.162 -6.103 7.546 1.00 0.00 C ATOM 1426 CG GLN A 92 5.628 -6.540 7.560 1.00 0.00 C ATOM 1427 CD GLN A 92 5.931 -7.481 6.393 1.00 0.00 C ATOM 1428 OE1 GLN A 92 6.388 -6.865 5.306 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 5.761 -8.687 6.473 1.00 0.00 N flip ATOM 0 H GLN A 92 4.799 -3.764 8.068 1.00 0.00 H new ATOM 0 HA GLN A 92 4.539 -5.152 5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.861 -5.797 8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.530 -6.946 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.273 -5.663 7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.853 -7.039 8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.407 -9.096 7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.973 -9.286 5.675 1.00 0.00 H new ATOM 1438 N ARG A 93 1.682 -4.254 7.029 1.00 0.00 N ATOM 1439 CA ARG A 93 0.262 -4.092 6.767 1.00 0.00 C ATOM 1440 C ARG A 93 0.047 -3.282 5.486 1.00 0.00 C ATOM 1441 O ARG A 93 -0.740 -3.672 4.626 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.436 -3.386 7.931 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.300 -4.195 9.223 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.524 -4.005 10.120 1.00 0.00 C ATOM 1445 NE ARG A 93 -1.157 -3.219 11.319 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.996 -2.952 12.329 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -3.255 -3.408 12.292 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.575 -2.231 13.377 1.00 0.00 N ATOM 0 H ARG A 93 1.997 -3.876 7.922 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.168 -5.086 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.005 -2.395 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.491 -3.244 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.181 -5.252 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.598 -3.886 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.313 -3.495 9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.920 -4.976 10.419 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.205 -2.858 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.575 -3.958 11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.894 -3.205 13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.616 -1.885 13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.214 -2.028 14.146 1.00 0.00 H new ATOM 1462 N TRP A 94 0.762 -2.170 5.401 1.00 0.00 N ATOM 1463 CA TRP A 94 0.660 -1.302 4.240 1.00 0.00 C ATOM 1464 C TRP A 94 1.149 -2.084 3.020 1.00 0.00 C ATOM 1465 O TRP A 94 0.483 -2.110 1.987 1.00 0.00 O ATOM 1466 CB TRP A 94 1.428 0.003 4.461 1.00 0.00 C ATOM 1467 CG TRP A 94 0.659 1.049 5.271 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.850 1.408 6.548 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.438 1.861 4.803 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.040 2.389 6.936 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.848 2.673 5.841 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.063 1.909 3.545 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.899 3.591 5.727 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.112 2.831 3.447 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.537 3.656 4.482 1.00 0.00 C ATOM 0 H TRP A 94 1.414 -1.850 6.117 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.375 -1.005 4.071 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.364 -0.221 4.972 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.688 0.428 3.492 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.605 0.983 7.192 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.095 2.825 7.856 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.758 1.284 2.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.201 4.215 6.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.627 2.907 2.501 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.355 4.344 4.327 1.00 0.00 H new ATOM 1486 N ILE A 95 2.309 -2.703 3.180 1.00 0.00 N ATOM 1487 CA ILE A 95 2.896 -3.485 2.105 1.00 0.00 C ATOM 1488 C ILE A 95 1.851 -4.461 1.561 1.00 0.00 C ATOM 1489 O ILE A 95 1.392 -4.318 0.429 1.00 0.00 O ATOM 1490 CB ILE A 95 4.184 -4.162 2.575 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.312 -3.141 2.739 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.578 -5.304 1.636 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.615 -3.825 3.160 1.00 0.00 C ATOM 0 H ILE A 95 2.859 -2.679 4.039 1.00 0.00 H new ATOM 0 HA ILE A 95 3.188 -2.837 1.279 1.00 0.00 H new ATOM 0 HB ILE A 95 4.000 -4.600 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.464 -2.608 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.029 -2.398 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.497 -5.768 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.781 -6.047 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.737 -4.911 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.400 -3.077 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.467 -4.337 4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.908 -4.549 2.400 1.00 0.00 H new ATOM 1505 N ASP A 96 1.505 -5.432 2.394 1.00 0.00 N ATOM 1506 CA ASP A 96 0.523 -6.432 2.011 1.00 0.00 C ATOM 1507 C ASP A 96 -0.738 -5.732 1.499 1.00 0.00 C ATOM 1508 O ASP A 96 -1.341 -6.171 0.521 1.00 0.00 O ATOM 1509 CB ASP A 96 0.128 -7.302 3.207 1.00 0.00 C ATOM 1510 CG ASP A 96 0.067 -8.804 2.921 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.057 -9.153 1.721 1.00 0.00 O ATOM 1512 OD2 ASP A 96 0.033 -9.568 3.909 1.00 0.00 O ATOM 0 H ASP A 96 1.887 -5.547 3.333 1.00 0.00 H new ATOM 0 HA ASP A 96 0.965 -7.060 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.840 -7.130 4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.847 -6.976 3.568 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.098 -4.656 2.183 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.276 -3.892 1.809 1.00 0.00 C ATOM 1519 C ALA A 97 -2.130 -3.413 0.363 1.00 0.00 C ATOM 1520 O ALA A 97 -3.039 -3.590 -0.447 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.465 -2.733 2.790 1.00 0.00 C ATOM 0 H ALA A 97 -0.595 -4.295 2.994 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.170 -4.514 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.349 -2.160 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.593 -3.127 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.588 -2.086 2.762 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.980 -2.818 0.084 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.704 -2.312 -1.250 1.00 0.00 C ATOM 1529 C PHE A 98 -0.551 -3.460 -2.251 1.00 0.00 C ATOM 1530 O PHE A 98 -1.114 -3.416 -3.343 1.00 0.00 O ATOM 1531 CB PHE A 98 0.614 -1.540 -1.172 1.00 0.00 C ATOM 1532 CG PHE A 98 0.442 -0.028 -1.021 1.00 0.00 C ATOM 1533 CD1 PHE A 98 0.317 0.756 -2.125 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.413 0.533 0.218 1.00 0.00 C ATOM 1535 CE1 PHE A 98 0.156 2.160 -1.985 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.253 1.937 0.358 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.128 2.721 -0.746 1.00 0.00 C ATOM 0 H PHE A 98 -0.228 -2.675 0.759 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.526 -1.680 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.193 -1.915 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.195 -1.741 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.340 0.311 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.512 -0.089 1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.056 2.782 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.231 2.382 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.007 3.789 -0.639 1.00 0.00 H new ATOM 1547 N GLN A 99 0.214 -4.461 -1.841 1.00 0.00 N ATOM 1548 CA GLN A 99 0.448 -5.619 -2.687 1.00 0.00 C ATOM 1549 C GLN A 99 -0.873 -6.322 -3.002 1.00 0.00 C ATOM 1550 O GLN A 99 -1.247 -6.457 -4.167 1.00 0.00 O ATOM 1551 CB GLN A 99 1.441 -6.583 -2.035 1.00 0.00 C ATOM 1552 CG GLN A 99 2.870 -6.300 -2.503 1.00 0.00 C ATOM 1553 CD GLN A 99 3.035 -6.626 -3.988 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.400 -7.517 -4.529 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.920 -5.857 -4.616 1.00 0.00 N ATOM 0 H GLN A 99 0.680 -4.494 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 99 0.887 -5.277 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.385 -6.490 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.171 -7.610 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.113 -5.252 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.573 -6.892 -1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.417 -5.129 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.101 -5.995 -5.610 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.545 -6.753 -1.945 1.00 0.00 N ATOM 1565 CA GLU A 100 -2.817 -7.439 -2.094 1.00 0.00 C ATOM 1566 C GLU A 100 -3.795 -6.575 -2.892 1.00 0.00 C ATOM 1567 O GLU A 100 -4.720 -7.094 -3.517 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.402 -7.813 -0.731 1.00 0.00 C ATOM 1569 CG GLU A 100 -2.549 -8.880 -0.042 1.00 0.00 C ATOM 1570 CD GLU A 100 -3.394 -9.724 0.914 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -3.546 -9.286 2.075 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -3.868 -10.789 0.463 1.00 0.00 O ATOM 0 H GLU A 100 -1.232 -6.640 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.646 -8.364 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.460 -6.926 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.420 -8.182 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.090 -9.524 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.738 -8.403 0.508 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.558 -5.273 -2.846 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.407 -4.332 -3.558 1.00 0.00 C ATOM 1581 C GLY A 101 -4.164 -4.407 -5.067 1.00 0.00 C ATOM 1582 O GLY A 101 -5.100 -4.602 -5.841 1.00 0.00 O ATOM 0 H GLY A 101 -2.790 -4.847 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.454 -4.547 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.211 -3.320 -3.204 1.00 0.00 H new ATOM 1586 N THR A 102 -2.903 -4.247 -5.439 1.00 0.00 N ATOM 1587 CA THR A 102 -2.525 -4.293 -6.841 1.00 0.00 C ATOM 1588 C THR A 102 -2.975 -5.613 -7.471 1.00 0.00 C ATOM 1589 O THR A 102 -3.359 -5.648 -8.639 1.00 0.00 O ATOM 1590 CB THR A 102 -1.015 -4.061 -6.932 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.470 -4.924 -5.938 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.610 -2.659 -6.471 1.00 0.00 C ATOM 0 H THR A 102 -2.130 -4.085 -4.794 1.00 0.00 H new ATOM 0 HA THR A 102 -3.024 -3.509 -7.411 1.00 0.00 H new ATOM 0 HB THR A 102 -0.685 -4.215 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.194 -5.423 -5.506 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.471 -2.546 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.102 -1.914 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.910 -2.517 -5.433 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.914 -6.666 -6.670 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.311 -7.984 -7.134 1.00 0.00 C ATOM 1602 C VAL A 103 -4.797 -8.198 -6.841 1.00 0.00 C ATOM 1603 O VAL A 103 -5.512 -7.249 -6.521 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.417 -9.053 -6.501 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.954 -8.853 -6.904 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.570 -9.065 -4.979 1.00 0.00 C ATOM 0 H VAL A 103 -2.595 -6.633 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.178 -8.065 -8.213 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.738 -10.024 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.340 -9.626 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.863 -8.919 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.616 -7.872 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.924 -9.834 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.288 -8.092 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.607 -9.278 -4.719 1.00 0.00 H new