USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 LYS NZ :NH3+ 138:sc= 0.509 (180deg=0.00439) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -156:sc= 0.169 (180deg=-0.176) USER MOD Set 2.2: A 95 THR OG1 : rot -77:sc= 0.682 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -129:sc= 1.05 USER MOD Single : A 45 THR OG1 : rot 112:sc= 0.982 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.5) USER MOD Single : A 56 TYR OH : rot 91:sc= 0.625 USER MOD Single : A 57 THR OG1 : rot 9:sc= 0.797 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= 0.78 (180deg=0.165) USER MOD Single : A 68 SER OG : rot -136:sc= 0.816 USER MOD Single : A 69 SER OG : rot -62:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= 0.203 (180deg=0.0536) USER MOD Single : A 77 SER OG : rot 22:sc= 0.365 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 148:sc= -0.303 (180deg=-0.936) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.08) USER MOD Single : A 102 CYS SG : rot 90:sc= -2.64! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 1:sc= -1.15 USER MOD Single : A 107 LYS NZ :NH3+ 178:sc= -0.316 (180deg=-0.328) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 172:sc= 1.06 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -1.712 11.226 8.214 1.00 0.00 N ATOM 149 CA GLY A 31 -0.776 11.423 7.062 1.00 0.00 C ATOM 150 C GLY A 31 -0.963 10.591 5.780 1.00 0.00 C ATOM 151 O GLY A 31 -0.089 10.667 4.918 1.00 0.00 O ATOM 0 HA2 GLY A 31 -0.824 12.474 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.234 11.237 7.427 1.00 0.00 H new ATOM 155 N VAL A 32 -2.070 9.849 5.616 1.00 0.00 N ATOM 156 CA VAL A 32 -2.157 8.817 4.523 1.00 0.00 C ATOM 157 C VAL A 32 -3.585 8.244 4.349 1.00 0.00 C ATOM 158 O VAL A 32 -4.377 8.156 5.284 1.00 0.00 O ATOM 159 CB VAL A 32 -1.248 7.512 4.803 1.00 0.00 C ATOM 160 CG1 VAL A 32 -1.189 6.447 3.661 1.00 0.00 C ATOM 161 CG2 VAL A 32 0.206 7.756 5.110 1.00 0.00 C ATOM 0 H VAL A 32 -2.904 9.926 6.198 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.820 9.367 3.644 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.796 7.153 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.549 5.620 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.193 6.073 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.784 6.904 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.707 6.803 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.674 8.269 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.290 8.373 6.004 1.00 0.00 H new ATOM 171 N LEU A 33 -3.898 7.845 3.113 1.00 0.00 N ATOM 172 CA LEU A 33 -5.041 6.936 2.834 1.00 0.00 C ATOM 173 C LEU A 33 -4.735 6.118 1.535 1.00 0.00 C ATOM 174 O LEU A 33 -3.561 5.813 1.253 1.00 0.00 O ATOM 175 CB LEU A 33 -6.510 7.328 3.226 1.00 0.00 C ATOM 176 CG LEU A 33 -7.486 6.164 3.587 1.00 0.00 C ATOM 177 CD1 LEU A 33 -7.017 5.265 4.749 1.00 0.00 C ATOM 178 CD2 LEU A 33 -8.861 6.731 3.964 1.00 0.00 C ATOM 0 H LEU A 33 -3.382 8.131 2.281 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.101 6.225 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.463 8.006 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.943 7.887 2.397 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.525 5.544 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.758 4.486 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.062 4.806 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.899 5.867 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.536 5.912 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.758 7.393 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.267 7.291 3.122 1.00 0.00 H new ATOM 190 N LYS A 34 -5.739 5.771 0.712 1.00 0.00 N ATOM 191 CA LYS A 34 -5.520 4.810 -0.404 1.00 0.00 C ATOM 192 C LYS A 34 -6.794 4.547 -1.267 1.00 0.00 C ATOM 193 O LYS A 34 -7.930 4.891 -0.925 1.00 0.00 O ATOM 194 CB LYS A 34 -4.943 3.448 0.130 1.00 0.00 C ATOM 195 CG LYS A 34 -5.584 2.838 1.396 1.00 0.00 C ATOM 196 CD LYS A 34 -5.330 1.333 1.541 1.00 0.00 C ATOM 197 CE LYS A 34 -5.908 0.832 2.866 1.00 0.00 C ATOM 198 NZ LYS A 34 -5.874 -0.637 2.878 1.00 0.00 N ATOM 0 H LYS A 34 -6.692 6.127 0.787 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.791 5.286 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.022 2.714 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.881 3.590 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.194 3.351 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.659 3.017 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.787 0.797 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.260 1.131 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.332 1.229 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.932 1.186 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.595 -0.996 3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.069 -0.997 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.934 -0.960 3.185 1.00 0.00 H new ATOM 211 N VAL A 35 -6.550 3.924 -2.423 1.00 0.00 N ATOM 212 CA VAL A 35 -7.627 3.535 -3.395 1.00 0.00 C ATOM 213 C VAL A 35 -7.760 1.977 -3.416 1.00 0.00 C ATOM 214 O VAL A 35 -6.771 1.305 -3.719 1.00 0.00 O ATOM 215 CB VAL A 35 -7.361 4.057 -4.856 1.00 0.00 C ATOM 216 CG1 VAL A 35 -8.650 4.093 -5.708 1.00 0.00 C ATOM 217 CG2 VAL A 35 -6.684 5.436 -4.977 1.00 0.00 C ATOM 0 H VAL A 35 -5.612 3.667 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.551 4.003 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.652 3.319 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.416 4.460 -6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.067 3.089 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.377 4.756 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.554 5.686 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.308 6.191 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.710 5.407 -4.488 1.00 0.00 H new ATOM 227 N ILE A 36 -8.946 1.392 -3.145 1.00 0.00 N ATOM 228 CA ILE A 36 -9.115 -0.102 -3.182 1.00 0.00 C ATOM 229 C ILE A 36 -9.535 -0.606 -4.608 1.00 0.00 C ATOM 230 O ILE A 36 -10.387 -0.006 -5.271 1.00 0.00 O ATOM 231 CB ILE A 36 -9.965 -0.702 -1.977 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.110 -1.568 -1.004 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.212 -1.549 -2.358 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.451 -2.814 -1.624 1.00 0.00 C ATOM 0 H ILE A 36 -9.793 1.906 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.127 -0.525 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.319 0.212 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.328 -0.939 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.745 -1.888 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.704 -1.900 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.906 -0.936 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.901 -2.405 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.881 -3.342 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.222 -3.473 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.783 -2.509 -2.429 1.00 0.00 H new ATOM 246 N LYS A 37 -8.957 -1.737 -5.048 1.00 0.00 N ATOM 247 CA LYS A 37 -9.322 -2.373 -6.349 1.00 0.00 C ATOM 248 C LYS A 37 -9.590 -3.906 -6.175 1.00 0.00 C ATOM 249 O LYS A 37 -10.736 -4.352 -6.290 1.00 0.00 O ATOM 250 CB LYS A 37 -8.283 -1.948 -7.423 1.00 0.00 C ATOM 251 CG LYS A 37 -8.561 -2.503 -8.837 1.00 0.00 C ATOM 252 CD LYS A 37 -7.725 -1.808 -9.928 1.00 0.00 C ATOM 253 CE LYS A 37 -7.863 -2.513 -11.285 1.00 0.00 C ATOM 254 NZ LYS A 37 -7.041 -1.810 -12.289 1.00 0.00 N ATOM 0 H LYS A 37 -8.235 -2.238 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.280 -2.012 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.255 -0.859 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.294 -2.278 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.350 -3.572 -8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.620 -2.384 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.043 -0.770 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.677 -1.795 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.545 -3.552 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.907 -2.524 -11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.134 -2.287 -13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.365 -0.825 -12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.044 -1.822 -11.992 1.00 0.00 H new ATOM 267 N ARG A 38 -8.554 -4.709 -5.891 1.00 0.00 N ATOM 268 CA ARG A 38 -8.707 -6.183 -5.667 1.00 0.00 C ATOM 269 C ARG A 38 -8.606 -6.453 -4.116 1.00 0.00 C ATOM 270 O ARG A 38 -7.622 -7.031 -3.650 1.00 0.00 O ATOM 271 CB ARG A 38 -7.674 -6.997 -6.504 1.00 0.00 C ATOM 272 CG ARG A 38 -7.666 -6.759 -8.034 1.00 0.00 C ATOM 273 CD ARG A 38 -6.518 -7.499 -8.742 1.00 0.00 C ATOM 274 NE ARG A 38 -6.458 -7.100 -10.173 1.00 0.00 N ATOM 275 CZ ARG A 38 -7.092 -7.690 -11.179 1.00 0.00 C ATOM 276 NH1 ARG A 38 -7.885 -8.711 -11.051 1.00 0.00 N ATOM 277 NH2 ARG A 38 -6.906 -7.207 -12.356 1.00 0.00 N ATOM 0 H ARG A 38 -7.593 -4.377 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.682 -6.524 -6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.678 -6.775 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.855 -8.057 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.617 -7.086 -8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.581 -5.690 -8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.571 -7.270 -8.253 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.666 -8.576 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.874 -6.296 -10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.055 -9.112 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.338 -9.111 -11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.292 -6.403 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.373 -7.628 -13.160 1.00 0.00 H new ATOM 290 N GLU A 39 -9.604 -6.013 -3.316 1.00 0.00 N ATOM 291 CA GLU A 39 -9.656 -6.170 -1.826 1.00 0.00 C ATOM 292 C GLU A 39 -9.135 -7.495 -1.176 1.00 0.00 C ATOM 293 O GLU A 39 -8.103 -7.530 -0.506 1.00 0.00 O ATOM 294 CB GLU A 39 -11.083 -5.756 -1.319 1.00 0.00 C ATOM 295 CG GLU A 39 -12.404 -6.135 -2.066 1.00 0.00 C ATOM 296 CD GLU A 39 -12.729 -5.286 -3.301 1.00 0.00 C ATOM 297 OE1 GLU A 39 -13.208 -4.161 -3.245 1.00 0.00 O ATOM 298 OE2 GLU A 39 -12.393 -5.905 -4.465 1.00 0.00 O ATOM 0 H GLU A 39 -10.420 -5.526 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.886 -5.490 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.177 -6.152 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.077 -4.669 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.342 -7.180 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.234 -6.056 -1.364 1.00 0.00 H new ATOM 306 N GLY A 40 -9.900 -8.553 -1.377 1.00 0.00 N ATOM 307 CA GLY A 40 -9.630 -9.892 -0.846 1.00 0.00 C ATOM 308 C GLY A 40 -10.805 -10.883 -0.865 1.00 0.00 C ATOM 309 O GLY A 40 -11.911 -10.597 -1.332 1.00 0.00 O ATOM 0 H GLY A 40 -10.755 -8.510 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.808 -10.326 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.286 -9.789 0.183 1.00 0.00 H new ATOM 313 N THR A 41 -10.532 -12.082 -0.343 1.00 0.00 N ATOM 314 CA THR A 41 -11.547 -13.180 -0.249 1.00 0.00 C ATOM 315 C THR A 41 -12.448 -13.038 1.022 1.00 0.00 C ATOM 316 O THR A 41 -13.652 -12.796 0.918 1.00 0.00 O ATOM 317 CB THR A 41 -10.866 -14.586 -0.366 1.00 0.00 C ATOM 318 OG1 THR A 41 -9.848 -14.765 0.616 1.00 0.00 O ATOM 319 CG2 THR A 41 -10.216 -14.883 -1.724 1.00 0.00 C ATOM 0 H THR A 41 -9.616 -12.335 0.028 1.00 0.00 H new ATOM 0 HA THR A 41 -12.223 -13.087 -1.099 1.00 0.00 H new ATOM 0 HB THR A 41 -11.700 -15.272 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.447 -15.653 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.772 -15.878 -1.705 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.973 -14.838 -2.507 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.441 -14.144 -1.926 1.00 0.00 H new ATOM 327 N GLY A 42 -11.857 -13.189 2.213 1.00 0.00 N ATOM 328 CA GLY A 42 -12.568 -13.075 3.503 1.00 0.00 C ATOM 329 C GLY A 42 -11.897 -13.749 4.714 1.00 0.00 C ATOM 330 O GLY A 42 -12.519 -14.570 5.387 1.00 0.00 O ATOM 0 H GLY A 42 -10.863 -13.396 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.698 -12.017 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.564 -13.501 3.383 1.00 0.00 H new ATOM 334 N THR A 43 -10.637 -13.399 4.998 1.00 0.00 N ATOM 335 CA THR A 43 -9.875 -13.965 6.155 1.00 0.00 C ATOM 336 C THR A 43 -8.764 -12.987 6.680 1.00 0.00 C ATOM 337 O THR A 43 -7.561 -13.258 6.661 1.00 0.00 O ATOM 338 CB THR A 43 -9.432 -15.448 5.949 1.00 0.00 C ATOM 339 OG1 THR A 43 -8.842 -16.191 7.003 1.00 0.00 O ATOM 340 CG2 THR A 43 -8.445 -15.702 4.789 1.00 0.00 C ATOM 0 H THR A 43 -10.107 -12.723 4.448 1.00 0.00 H new ATOM 0 HA THR A 43 -10.577 -14.039 6.986 1.00 0.00 H new ATOM 0 HB THR A 43 -10.453 -15.794 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.006 -16.595 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.207 -16.765 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.899 -15.388 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.531 -15.133 4.958 1.00 0.00 H new ATOM 348 N GLU A 44 -9.220 -11.820 7.177 1.00 0.00 N ATOM 349 CA GLU A 44 -8.383 -10.773 7.827 1.00 0.00 C ATOM 350 C GLU A 44 -7.355 -9.901 7.010 1.00 0.00 C ATOM 351 O GLU A 44 -7.102 -10.056 5.805 1.00 0.00 O ATOM 352 CB GLU A 44 -7.849 -11.335 9.198 1.00 0.00 C ATOM 353 CG GLU A 44 -8.940 -11.235 10.285 1.00 0.00 C ATOM 354 CD GLU A 44 -8.557 -11.541 11.732 1.00 0.00 C ATOM 355 OE1 GLU A 44 -8.955 -10.864 12.676 1.00 0.00 O ATOM 356 OE2 GLU A 44 -7.769 -12.645 11.859 1.00 0.00 O ATOM 0 H GLU A 44 -10.207 -11.566 7.140 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.082 -9.948 7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.542 -12.374 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.966 -10.776 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.345 -10.224 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.749 -11.910 10.006 1.00 0.00 H new ATOM 364 N THR A 45 -6.872 -8.890 7.762 1.00 0.00 N ATOM 365 CA THR A 45 -5.829 -7.899 7.360 1.00 0.00 C ATOM 366 C THR A 45 -4.522 -8.082 8.242 1.00 0.00 C ATOM 367 O THR A 45 -4.614 -8.675 9.328 1.00 0.00 O ATOM 368 CB THR A 45 -6.384 -6.436 7.415 1.00 0.00 C ATOM 369 OG1 THR A 45 -6.522 -5.971 8.753 1.00 0.00 O ATOM 370 CG2 THR A 45 -7.719 -6.152 6.712 1.00 0.00 C ATOM 0 H THR A 45 -7.208 -8.727 8.711 1.00 0.00 H new ATOM 0 HA THR A 45 -5.552 -8.087 6.323 1.00 0.00 H new ATOM 0 HB THR A 45 -5.615 -5.905 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.874 -5.254 8.919 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.978 -5.100 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.628 -6.383 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.501 -6.771 7.152 1.00 0.00 H new ATOM 378 N PRO A 46 -3.288 -7.615 7.866 1.00 0.00 N ATOM 379 CA PRO A 46 -2.057 -7.844 8.673 1.00 0.00 C ATOM 380 C PRO A 46 -2.059 -7.299 10.155 1.00 0.00 C ATOM 381 O PRO A 46 -2.365 -6.115 10.346 1.00 0.00 O ATOM 382 CB PRO A 46 -0.961 -7.142 7.855 1.00 0.00 C ATOM 383 CG PRO A 46 -1.475 -7.128 6.423 1.00 0.00 C ATOM 384 CD PRO A 46 -2.996 -7.035 6.543 1.00 0.00 C ATOM 0 HA PRO A 46 -1.928 -8.916 8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.785 -6.130 8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.013 -7.676 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.071 -6.281 5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.177 -8.030 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.339 -6.002 6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.493 -7.588 5.746 1.00 0.00 H new ATOM 392 N MET A 47 -1.717 -8.081 11.209 1.00 0.00 N ATOM 393 CA MET A 47 -1.670 -7.543 12.604 1.00 0.00 C ATOM 394 C MET A 47 -0.269 -6.909 12.926 1.00 0.00 C ATOM 395 O MET A 47 0.718 -7.188 12.233 1.00 0.00 O ATOM 396 CB MET A 47 -2.086 -8.679 13.582 1.00 0.00 C ATOM 397 CG MET A 47 -1.194 -9.940 13.604 1.00 0.00 C ATOM 398 SD MET A 47 -1.586 -10.967 15.031 1.00 0.00 S ATOM 399 CE MET A 47 -0.195 -12.107 14.947 1.00 0.00 C ATOM 0 H MET A 47 -1.473 -9.068 11.130 1.00 0.00 H new ATOM 0 HA MET A 47 -2.378 -6.723 12.722 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.115 -8.266 14.590 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.102 -8.986 13.334 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.339 -10.511 12.687 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.144 -9.649 13.636 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.266 -12.828 15.762 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.214 -12.634 13.993 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.738 -11.550 15.035 1.00 0.00 H new ATOM 409 N ILE A 48 -0.122 -6.052 13.964 1.00 0.00 N ATOM 410 CA ILE A 48 1.212 -5.450 14.298 1.00 0.00 C ATOM 411 C ILE A 48 2.250 -6.568 14.694 1.00 0.00 C ATOM 412 O ILE A 48 1.963 -7.480 15.476 1.00 0.00 O ATOM 413 CB ILE A 48 1.137 -4.177 15.221 1.00 0.00 C ATOM 414 CG1 ILE A 48 1.792 -2.920 14.570 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.678 -4.361 16.659 1.00 0.00 C ATOM 416 CD1 ILE A 48 3.307 -2.929 14.281 1.00 0.00 C ATOM 0 H ILE A 48 -0.883 -5.761 14.577 1.00 0.00 H new ATOM 0 HA ILE A 48 1.621 -5.005 13.391 1.00 0.00 H new ATOM 0 HB ILE A 48 0.063 -4.017 15.319 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.279 -2.733 13.627 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.586 -2.069 15.219 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.579 -3.424 17.208 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.108 -5.140 17.165 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.729 -4.648 16.618 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.597 -1.980 13.829 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.854 -3.069 15.213 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.542 -3.744 13.596 1.00 0.00 H new ATOM 428 N GLY A 49 3.442 -6.487 14.101 1.00 0.00 N ATOM 429 CA GLY A 49 4.481 -7.551 14.255 1.00 0.00 C ATOM 430 C GLY A 49 4.390 -8.803 13.314 1.00 0.00 C ATOM 431 O GLY A 49 5.242 -9.686 13.434 1.00 0.00 O ATOM 0 H GLY A 49 3.728 -5.707 13.509 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.457 -7.090 14.106 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.449 -7.904 15.286 1.00 0.00 H new ATOM 435 N ASP A 50 3.420 -8.915 12.379 1.00 0.00 N ATOM 436 CA ASP A 50 3.239 -10.103 11.491 1.00 0.00 C ATOM 437 C ASP A 50 4.009 -9.971 10.133 1.00 0.00 C ATOM 438 O ASP A 50 4.254 -8.877 9.616 1.00 0.00 O ATOM 439 CB ASP A 50 1.693 -10.317 11.417 1.00 0.00 C ATOM 440 CG ASP A 50 0.990 -11.017 10.262 1.00 0.00 C ATOM 441 OD1 ASP A 50 -0.053 -10.594 9.765 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.601 -12.176 9.890 1.00 0.00 O ATOM 0 H ASP A 50 2.731 -8.181 12.212 1.00 0.00 H new ATOM 0 HA ASP A 50 3.700 -11.010 11.882 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.417 -10.863 12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.243 -9.327 11.493 1.00 0.00 H new ATOM 448 N ARG A 51 4.378 -11.125 9.556 1.00 0.00 N ATOM 449 CA ARG A 51 5.130 -11.171 8.266 1.00 0.00 C ATOM 450 C ARG A 51 4.147 -11.060 7.064 1.00 0.00 C ATOM 451 O ARG A 51 3.094 -11.701 7.068 1.00 0.00 O ATOM 452 CB ARG A 51 6.016 -12.449 8.256 1.00 0.00 C ATOM 453 CG ARG A 51 7.044 -12.559 7.095 1.00 0.00 C ATOM 454 CD ARG A 51 6.520 -13.279 5.839 1.00 0.00 C ATOM 455 NE ARG A 51 7.582 -13.251 4.799 1.00 0.00 N ATOM 456 CZ ARG A 51 7.779 -14.162 3.855 1.00 0.00 C ATOM 457 NH1 ARG A 51 7.065 -15.236 3.707 1.00 0.00 N ATOM 458 NH2 ARG A 51 8.746 -13.965 3.030 1.00 0.00 N ATOM 0 H ARG A 51 4.174 -12.043 9.951 1.00 0.00 H new ATOM 0 HA ARG A 51 5.800 -10.317 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.558 -12.498 9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.362 -13.320 8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.364 -11.555 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.927 -13.086 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.251 -14.308 6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.618 -12.790 5.472 1.00 0.00 H new ATOM 0 HE ARG A 51 8.220 -12.455 4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.290 -15.425 4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.279 -15.891 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.328 -13.132 3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.931 -14.642 2.290 1.00 0.00 H new ATOM 471 N VAL A 52 4.485 -10.240 6.059 1.00 0.00 N ATOM 472 CA VAL A 52 3.615 -10.006 4.866 1.00 0.00 C ATOM 473 C VAL A 52 4.464 -10.128 3.558 1.00 0.00 C ATOM 474 O VAL A 52 5.541 -9.532 3.462 1.00 0.00 O ATOM 475 CB VAL A 52 2.826 -8.638 4.951 1.00 0.00 C ATOM 476 CG1 VAL A 52 2.239 -8.301 6.341 1.00 0.00 C ATOM 477 CG2 VAL A 52 3.578 -7.381 4.460 1.00 0.00 C ATOM 0 H VAL A 52 5.360 -9.717 6.036 1.00 0.00 H new ATOM 0 HA VAL A 52 2.847 -10.779 4.847 1.00 0.00 H new ATOM 0 HB VAL A 52 2.021 -8.859 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.718 -7.345 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.539 -9.081 6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.046 -8.239 7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.935 -6.507 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.481 -7.242 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.849 -7.505 3.411 1.00 0.00 H new ATOM 487 N PHE A 53 3.962 -10.825 2.532 1.00 0.00 N ATOM 488 CA PHE A 53 4.658 -10.999 1.239 1.00 0.00 C ATOM 489 C PHE A 53 3.830 -10.316 0.097 1.00 0.00 C ATOM 490 O PHE A 53 2.768 -10.760 -0.346 1.00 0.00 O ATOM 491 CB PHE A 53 5.059 -12.478 1.121 1.00 0.00 C ATOM 492 CG PHE A 53 4.093 -13.646 1.325 1.00 0.00 C ATOM 493 CD1 PHE A 53 3.943 -14.219 2.594 1.00 0.00 C ATOM 494 CD2 PHE A 53 3.545 -14.275 0.212 1.00 0.00 C ATOM 495 CE1 PHE A 53 3.282 -15.436 2.735 1.00 0.00 C ATOM 496 CE2 PHE A 53 2.887 -15.495 0.351 1.00 0.00 C ATOM 497 CZ PHE A 53 2.779 -16.087 1.610 1.00 0.00 C ATOM 0 H PHE A 53 3.055 -11.290 2.570 1.00 0.00 H new ATOM 0 HA PHE A 53 5.608 -10.473 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.478 -12.601 0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.874 -12.630 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.340 -13.717 3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.630 -13.817 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.159 -15.875 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.461 -15.982 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.305 -17.052 1.713 1.00 0.00 H new ATOM 507 N VAL A 54 4.371 -9.170 -0.313 1.00 0.00 N ATOM 508 CA VAL A 54 3.783 -8.189 -1.263 1.00 0.00 C ATOM 509 C VAL A 54 4.499 -8.117 -2.645 1.00 0.00 C ATOM 510 O VAL A 54 5.552 -8.707 -2.895 1.00 0.00 O ATOM 511 CB VAL A 54 3.918 -6.757 -0.561 1.00 0.00 C ATOM 512 CG1 VAL A 54 2.820 -6.521 0.459 1.00 0.00 C ATOM 513 CG2 VAL A 54 5.298 -6.396 0.008 1.00 0.00 C ATOM 0 H VAL A 54 5.287 -8.871 0.021 1.00 0.00 H new ATOM 0 HA VAL A 54 2.758 -8.496 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 54 3.793 -6.063 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.949 -5.538 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.849 -6.569 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.872 -7.286 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.258 -5.403 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.581 -7.125 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.036 -6.403 -0.795 1.00 0.00 H new ATOM 523 N HIS A 55 3.891 -7.344 -3.550 1.00 0.00 N ATOM 524 CA HIS A 55 4.584 -6.917 -4.813 1.00 0.00 C ATOM 525 C HIS A 55 4.283 -5.400 -4.990 1.00 0.00 C ATOM 526 O HIS A 55 3.117 -5.046 -5.202 1.00 0.00 O ATOM 527 CB HIS A 55 4.343 -7.772 -6.113 1.00 0.00 C ATOM 528 CG HIS A 55 5.555 -8.468 -6.725 1.00 0.00 C ATOM 529 ND1 HIS A 55 6.812 -7.891 -6.824 1.00 0.00 N ATOM 530 CD2 HIS A 55 5.456 -9.560 -7.599 1.00 0.00 C ATOM 531 CE1 HIS A 55 7.389 -8.752 -7.724 1.00 0.00 C ATOM 532 NE2 HIS A 55 6.669 -9.801 -8.218 1.00 0.00 N ATOM 0 H HIS A 55 2.937 -6.996 -3.454 1.00 0.00 H new ATOM 0 HA HIS A 55 5.649 -7.111 -4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.597 -8.533 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.910 -7.119 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.556 -10.134 -7.766 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.410 -8.600 -8.040 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.945 -10.546 -8.858 1.00 0.00 H new ATOM 540 N TYR A 56 5.283 -4.491 -4.851 1.00 0.00 N ATOM 541 CA TYR A 56 4.982 -3.027 -4.919 1.00 0.00 C ATOM 542 C TYR A 56 5.232 -2.385 -6.347 1.00 0.00 C ATOM 543 O TYR A 56 5.598 -2.980 -7.358 1.00 0.00 O ATOM 544 CB TYR A 56 5.615 -2.187 -3.738 1.00 0.00 C ATOM 545 CG TYR A 56 7.111 -1.873 -3.805 1.00 0.00 C ATOM 546 CD1 TYR A 56 8.060 -2.812 -3.411 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.531 -0.623 -4.266 1.00 0.00 C ATOM 548 CE1 TYR A 56 9.416 -2.500 -3.471 1.00 0.00 C ATOM 549 CE2 TYR A 56 8.882 -0.305 -4.310 1.00 0.00 C ATOM 550 CZ TYR A 56 9.826 -1.243 -3.909 1.00 0.00 C ATOM 551 OH TYR A 56 11.153 -0.923 -3.939 1.00 0.00 O ATOM 0 H TYR A 56 6.264 -4.725 -4.698 1.00 0.00 H new ATOM 0 HA TYR A 56 3.905 -2.967 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.077 -1.241 -3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.427 -2.723 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.745 -3.783 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.799 0.102 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.151 -3.234 -3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.198 0.668 -4.655 1.00 0.00 H new ATOM 0 HH TYR A 56 11.525 -1.152 -4.816 1.00 0.00 H new ATOM 561 N THR A 57 4.884 -1.117 -6.414 1.00 0.00 N ATOM 562 CA THR A 57 5.299 -0.140 -7.457 1.00 0.00 C ATOM 563 C THR A 57 5.288 1.213 -6.710 1.00 0.00 C ATOM 564 O THR A 57 4.418 1.455 -5.869 1.00 0.00 O ATOM 565 CB THR A 57 4.567 -0.054 -8.826 1.00 0.00 C ATOM 566 OG1 THR A 57 4.596 -1.328 -9.456 1.00 0.00 O ATOM 567 CG2 THR A 57 5.292 0.940 -9.764 1.00 0.00 C ATOM 0 H THR A 57 4.272 -0.696 -5.715 1.00 0.00 H new ATOM 0 HA THR A 57 6.258 -0.487 -7.842 1.00 0.00 H new ATOM 0 HB THR A 57 3.544 0.275 -8.646 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.947 -1.995 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.767 0.989 -10.718 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.305 1.929 -9.306 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.315 0.603 -9.930 1.00 0.00 H new ATOM 575 N GLY A 58 6.252 2.110 -6.946 1.00 0.00 N ATOM 576 CA GLY A 58 6.184 3.446 -6.327 1.00 0.00 C ATOM 577 C GLY A 58 6.764 4.604 -7.149 1.00 0.00 C ATOM 578 O GLY A 58 7.592 4.454 -8.051 1.00 0.00 O ATOM 0 H GLY A 58 7.065 1.948 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.140 3.670 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.708 3.408 -5.372 1.00 0.00 H new ATOM 582 N TRP A 59 6.251 5.777 -6.800 1.00 0.00 N ATOM 583 CA TRP A 59 6.495 7.045 -7.495 1.00 0.00 C ATOM 584 C TRP A 59 6.685 8.216 -6.500 1.00 0.00 C ATOM 585 O TRP A 59 6.109 8.264 -5.408 1.00 0.00 O ATOM 586 CB TRP A 59 5.329 7.437 -8.458 1.00 0.00 C ATOM 587 CG TRP A 59 4.747 6.352 -9.388 1.00 0.00 C ATOM 588 CD1 TRP A 59 5.036 6.358 -10.753 1.00 0.00 C ATOM 589 CD2 TRP A 59 3.937 5.230 -9.186 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.500 5.243 -11.424 1.00 0.00 N ATOM 591 CE2 TRP A 59 3.807 4.573 -10.438 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.324 4.662 -8.027 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.089 3.363 -10.532 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.495 3.553 -8.192 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.392 2.903 -9.421 1.00 0.00 C ATOM 0 H TRP A 59 5.631 5.881 -5.997 1.00 0.00 H new ATOM 0 HA TRP A 59 7.405 6.881 -8.071 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.512 7.825 -7.849 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.678 8.258 -9.084 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.608 7.133 -11.241 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.600 4.990 -12.407 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.498 5.081 -7.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.081 2.801 -11.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.922 3.191 -7.352 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.762 2.030 -9.511 1.00 0.00 H new ATOM 606 N LEU A 60 7.524 9.175 -6.885 1.00 0.00 N ATOM 607 CA LEU A 60 7.663 10.442 -6.123 1.00 0.00 C ATOM 608 C LEU A 60 6.478 11.381 -6.529 1.00 0.00 C ATOM 609 O LEU A 60 5.772 11.177 -7.528 1.00 0.00 O ATOM 610 CB LEU A 60 9.040 11.079 -6.463 1.00 0.00 C ATOM 611 CG LEU A 60 9.740 12.043 -5.478 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.774 11.582 -4.014 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.196 12.228 -5.941 1.00 0.00 C ATOM 0 H LEU A 60 8.119 9.113 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 60 7.625 10.272 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.732 10.259 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.919 11.617 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 60 9.152 12.960 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.287 12.330 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.755 11.456 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.305 10.632 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.711 12.906 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.702 11.263 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.207 12.647 -6.947 1.00 0.00 H new ATOM 625 N LEU A 61 6.311 12.468 -5.786 1.00 0.00 N ATOM 626 CA LEU A 61 5.247 13.474 -6.077 1.00 0.00 C ATOM 627 C LEU A 61 5.282 14.167 -7.478 1.00 0.00 C ATOM 628 O LEU A 61 4.231 14.567 -7.984 1.00 0.00 O ATOM 629 CB LEU A 61 5.011 14.445 -4.883 1.00 0.00 C ATOM 630 CG LEU A 61 5.958 15.646 -4.578 1.00 0.00 C ATOM 631 CD1 LEU A 61 7.432 15.248 -4.411 1.00 0.00 C ATOM 632 CD2 LEU A 61 5.836 16.817 -5.566 1.00 0.00 C ATOM 0 H LEU A 61 6.887 12.693 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 61 4.347 12.868 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.012 14.861 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.986 13.831 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 61 5.597 16.000 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.027 16.137 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.527 14.544 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.789 14.781 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.529 17.608 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.075 16.471 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.817 17.203 -5.548 1.00 0.00 H new ATOM 644 N ASP A 62 6.462 14.279 -8.117 1.00 0.00 N ATOM 645 CA ASP A 62 6.549 14.766 -9.528 1.00 0.00 C ATOM 646 C ASP A 62 6.080 13.702 -10.620 1.00 0.00 C ATOM 647 O ASP A 62 6.171 13.986 -11.816 1.00 0.00 O ATOM 648 CB ASP A 62 8.024 15.227 -9.691 1.00 0.00 C ATOM 649 CG ASP A 62 8.312 16.028 -10.955 1.00 0.00 C ATOM 650 OD1 ASP A 62 8.011 17.207 -11.098 1.00 0.00 O ATOM 651 OD2 ASP A 62 8.941 15.288 -11.905 1.00 0.00 O ATOM 0 H ASP A 62 7.361 14.046 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 62 5.849 15.582 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.298 15.831 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.667 14.347 -9.682 1.00 0.00 H new ATOM 657 N GLY A 63 5.569 12.501 -10.249 1.00 0.00 N ATOM 658 CA GLY A 63 5.189 11.426 -11.233 1.00 0.00 C ATOM 659 C GLY A 63 6.388 10.680 -11.859 1.00 0.00 C ATOM 660 O GLY A 63 6.407 10.374 -13.049 1.00 0.00 O ATOM 0 H GLY A 63 5.406 12.241 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.548 10.701 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.598 11.874 -12.032 1.00 0.00 H new ATOM 664 N THR A 64 7.374 10.372 -11.013 1.00 0.00 N ATOM 665 CA THR A 64 8.637 9.708 -11.417 1.00 0.00 C ATOM 666 C THR A 64 8.703 8.329 -10.705 1.00 0.00 C ATOM 667 O THR A 64 8.759 8.272 -9.471 1.00 0.00 O ATOM 668 CB THR A 64 9.797 10.669 -11.025 1.00 0.00 C ATOM 669 OG1 THR A 64 9.683 11.910 -11.718 1.00 0.00 O ATOM 670 CG2 THR A 64 11.176 10.121 -11.383 1.00 0.00 C ATOM 0 H THR A 64 7.327 10.575 -10.014 1.00 0.00 H new ATOM 0 HA THR A 64 8.707 9.515 -12.487 1.00 0.00 H new ATOM 0 HB THR A 64 9.710 10.787 -9.945 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.420 12.500 -11.456 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.941 10.838 -11.084 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.339 9.178 -10.862 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.234 9.956 -12.459 1.00 0.00 H new ATOM 678 N LYS A 65 8.714 7.227 -11.471 1.00 0.00 N ATOM 679 CA LYS A 65 8.730 5.860 -10.886 1.00 0.00 C ATOM 680 C LYS A 65 10.173 5.454 -10.357 1.00 0.00 C ATOM 681 O LYS A 65 11.006 5.024 -11.162 1.00 0.00 O ATOM 682 CB LYS A 65 8.222 4.826 -11.928 1.00 0.00 C ATOM 683 CG LYS A 65 7.881 3.451 -11.287 1.00 0.00 C ATOM 684 CD LYS A 65 7.932 2.250 -12.261 1.00 0.00 C ATOM 685 CE LYS A 65 9.316 1.845 -12.810 1.00 0.00 C ATOM 686 NZ LYS A 65 10.271 1.537 -11.726 1.00 0.00 N ATOM 0 H LYS A 65 8.712 7.246 -12.491 1.00 0.00 H new ATOM 0 HA LYS A 65 8.060 5.862 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.336 5.221 -12.425 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.982 4.686 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.576 3.266 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.883 3.506 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.504 1.385 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.285 2.475 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.209 0.975 -13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.713 2.653 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.890 0.755 -12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.848 2.378 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.748 1.261 -10.871 1.00 0.00 H new ATOM 699 N PHE A 66 10.520 5.564 -9.056 1.00 0.00 N ATOM 700 CA PHE A 66 11.840 5.128 -8.528 1.00 0.00 C ATOM 701 C PHE A 66 12.045 3.583 -8.405 1.00 0.00 C ATOM 702 O PHE A 66 13.172 3.114 -8.602 1.00 0.00 O ATOM 703 CB PHE A 66 12.135 5.868 -7.186 1.00 0.00 C ATOM 704 CG PHE A 66 11.101 5.750 -6.042 1.00 0.00 C ATOM 705 CD1 PHE A 66 10.984 4.584 -5.275 1.00 0.00 C ATOM 706 CD2 PHE A 66 10.204 6.798 -5.833 1.00 0.00 C ATOM 707 CE1 PHE A 66 9.948 4.449 -4.352 1.00 0.00 C ATOM 708 CE2 PHE A 66 9.199 6.675 -4.881 1.00 0.00 C ATOM 709 CZ PHE A 66 9.061 5.503 -4.150 1.00 0.00 C ATOM 0 H PHE A 66 9.902 5.954 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 66 12.573 5.413 -9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.091 5.505 -6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.263 6.927 -7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.700 3.785 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.291 7.706 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.834 3.530 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.520 7.497 -4.709 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.266 5.409 -3.425 1.00 0.00 H new ATOM 719 N ASP A 67 11.020 2.786 -8.028 1.00 0.00 N ATOM 720 CA ASP A 67 11.197 1.313 -7.879 1.00 0.00 C ATOM 721 C ASP A 67 9.862 0.509 -7.914 1.00 0.00 C ATOM 722 O ASP A 67 8.759 1.056 -7.999 1.00 0.00 O ATOM 723 CB ASP A 67 12.054 0.993 -6.613 1.00 0.00 C ATOM 724 CG ASP A 67 12.958 -0.224 -6.771 1.00 0.00 C ATOM 725 OD1 ASP A 67 12.646 -1.355 -6.411 1.00 0.00 O ATOM 726 OD2 ASP A 67 14.120 0.088 -7.414 1.00 0.00 O ATOM 0 H ASP A 67 10.079 3.123 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 67 11.742 0.971 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.668 1.861 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.387 0.831 -5.766 1.00 0.00 H new ATOM 732 N SER A 68 9.994 -0.824 -7.901 1.00 0.00 N ATOM 733 CA SER A 68 8.826 -1.757 -7.938 1.00 0.00 C ATOM 734 C SER A 68 9.016 -3.238 -7.452 1.00 0.00 C ATOM 735 O SER A 68 8.025 -3.953 -7.319 1.00 0.00 O ATOM 736 CB SER A 68 8.280 -1.765 -9.402 1.00 0.00 C ATOM 737 OG SER A 68 9.153 -2.484 -10.278 1.00 0.00 O ATOM 0 H SER A 68 10.897 -1.297 -7.865 1.00 0.00 H new ATOM 0 HA SER A 68 8.141 -1.355 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.289 -2.218 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.169 -0.740 -9.757 1.00 0.00 H new ATOM 0 HG SER A 68 9.271 -1.979 -11.110 1.00 0.00 H new ATOM 743 N SER A 69 10.234 -3.756 -7.194 1.00 0.00 N ATOM 744 CA SER A 69 10.490 -5.227 -6.961 1.00 0.00 C ATOM 745 C SER A 69 10.351 -6.058 -8.303 1.00 0.00 C ATOM 746 O SER A 69 11.246 -6.812 -8.688 1.00 0.00 O ATOM 747 CB SER A 69 9.771 -5.809 -5.726 1.00 0.00 C ATOM 748 OG SER A 69 10.489 -6.927 -5.207 1.00 0.00 O ATOM 0 H SER A 69 11.077 -3.185 -7.137 1.00 0.00 H new ATOM 0 HA SER A 69 11.536 -5.331 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.678 -5.041 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.760 -6.113 -5.997 1.00 0.00 H new ATOM 0 HG SER A 69 10.525 -7.635 -5.883 1.00 0.00 H new ATOM 754 N LEU A 70 9.233 -5.845 -9.025 1.00 0.00 N ATOM 755 CA LEU A 70 8.943 -6.308 -10.414 1.00 0.00 C ATOM 756 C LEU A 70 10.108 -6.021 -11.443 1.00 0.00 C ATOM 757 O LEU A 70 10.405 -6.858 -12.295 1.00 0.00 O ATOM 758 CB LEU A 70 7.612 -5.610 -10.859 1.00 0.00 C ATOM 759 CG LEU A 70 6.305 -5.916 -10.075 1.00 0.00 C ATOM 760 CD1 LEU A 70 5.238 -4.834 -10.310 1.00 0.00 C ATOM 761 CD2 LEU A 70 5.703 -7.272 -10.448 1.00 0.00 C ATOM 0 H LEU A 70 8.454 -5.313 -8.638 1.00 0.00 H new ATOM 0 HA LEU A 70 8.848 -7.394 -10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.775 -4.533 -10.820 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.438 -5.868 -11.904 1.00 0.00 H new ATOM 0 HG LEU A 70 6.593 -5.932 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.339 -5.081 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.620 -3.868 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.998 -4.784 -11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.792 -7.437 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.467 -7.285 -11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.420 -8.062 -10.226 1.00 0.00 H new ATOM 773 N ASP A 71 10.763 -4.843 -11.337 1.00 0.00 N ATOM 774 CA ASP A 71 11.972 -4.454 -12.124 1.00 0.00 C ATOM 775 C ASP A 71 13.183 -5.452 -11.931 1.00 0.00 C ATOM 776 O ASP A 71 13.829 -5.827 -12.911 1.00 0.00 O ATOM 777 CB ASP A 71 12.317 -2.986 -11.712 1.00 0.00 C ATOM 778 CG ASP A 71 11.472 -1.869 -12.328 1.00 0.00 C ATOM 779 OD1 ASP A 71 10.320 -1.997 -12.733 1.00 0.00 O ATOM 780 OD2 ASP A 71 12.130 -0.679 -12.312 1.00 0.00 O ATOM 0 H ASP A 71 10.465 -4.114 -10.689 1.00 0.00 H new ATOM 0 HA ASP A 71 11.764 -4.510 -13.193 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.236 -2.912 -10.628 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.360 -2.800 -11.967 1.00 0.00 H new ATOM 786 N ARG A 72 13.494 -5.870 -10.685 1.00 0.00 N ATOM 787 CA ARG A 72 14.517 -6.905 -10.384 1.00 0.00 C ATOM 788 C ARG A 72 14.083 -8.406 -10.653 1.00 0.00 C ATOM 789 O ARG A 72 14.966 -9.251 -10.808 1.00 0.00 O ATOM 790 CB ARG A 72 14.967 -6.661 -8.913 1.00 0.00 C ATOM 791 CG ARG A 72 16.168 -7.492 -8.383 1.00 0.00 C ATOM 792 CD ARG A 72 17.497 -7.338 -9.149 1.00 0.00 C ATOM 793 NE ARG A 72 18.049 -5.960 -9.018 1.00 0.00 N ATOM 794 CZ ARG A 72 18.233 -5.088 -10.002 1.00 0.00 C ATOM 795 NH1 ARG A 72 17.955 -5.312 -11.252 1.00 0.00 N ATOM 796 NH2 ARG A 72 18.720 -3.941 -9.688 1.00 0.00 N ATOM 0 H ARG A 72 13.041 -5.498 -9.850 1.00 0.00 H new ATOM 0 HA ARG A 72 15.343 -6.790 -11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.216 -5.605 -8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.113 -6.853 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.340 -7.219 -7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.887 -8.545 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.222 -8.058 -8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.339 -7.569 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 72 18.311 -5.657 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.566 -6.212 -11.535 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.126 -4.588 -11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.948 -3.733 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.879 -3.239 -10.411 1.00 0.00 H new ATOM 809 N LYS A 73 12.769 -8.728 -10.684 1.00 0.00 N ATOM 810 CA LYS A 73 12.162 -10.081 -10.914 1.00 0.00 C ATOM 811 C LYS A 73 11.570 -10.732 -9.618 1.00 0.00 C ATOM 812 O LYS A 73 10.488 -11.326 -9.665 1.00 0.00 O ATOM 813 CB LYS A 73 12.931 -11.119 -11.789 1.00 0.00 C ATOM 814 CG LYS A 73 13.184 -10.682 -13.253 1.00 0.00 C ATOM 815 CD LYS A 73 13.991 -11.696 -14.090 1.00 0.00 C ATOM 816 CE LYS A 73 13.209 -12.966 -14.466 1.00 0.00 C ATOM 817 NZ LYS A 73 14.054 -13.828 -15.316 1.00 0.00 N ATOM 0 H LYS A 73 12.053 -8.016 -10.542 1.00 0.00 H new ATOM 0 HA LYS A 73 11.343 -9.798 -11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.891 -11.329 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.369 -12.053 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.224 -10.510 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.714 -9.729 -13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.330 -11.208 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.882 -11.983 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.912 -13.503 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.294 -12.700 -14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.527 -14.687 -15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.316 -13.313 -16.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.915 -14.092 -14.796 1.00 0.00 H new ATOM 830 N ASP A 74 12.250 -10.631 -8.465 1.00 0.00 N ATOM 831 CA ASP A 74 11.782 -11.196 -7.178 1.00 0.00 C ATOM 832 C ASP A 74 10.684 -10.315 -6.484 1.00 0.00 C ATOM 833 O ASP A 74 10.546 -9.111 -6.729 1.00 0.00 O ATOM 834 CB ASP A 74 13.012 -11.323 -6.250 1.00 0.00 C ATOM 835 CG ASP A 74 14.192 -12.170 -6.723 1.00 0.00 C ATOM 836 OD1 ASP A 74 15.264 -11.703 -7.088 1.00 0.00 O ATOM 837 OD2 ASP A 74 13.918 -13.501 -6.696 1.00 0.00 O ATOM 0 H ASP A 74 13.148 -10.152 -8.393 1.00 0.00 H new ATOM 0 HA ASP A 74 11.319 -12.163 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.383 -10.318 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.670 -11.731 -5.299 1.00 0.00 H new ATOM 843 N LYS A 75 9.919 -10.922 -5.568 1.00 0.00 N ATOM 844 CA LYS A 75 8.842 -10.241 -4.827 1.00 0.00 C ATOM 845 C LYS A 75 9.340 -9.384 -3.612 1.00 0.00 C ATOM 846 O LYS A 75 10.496 -9.496 -3.187 1.00 0.00 O ATOM 847 CB LYS A 75 7.791 -11.277 -4.342 1.00 0.00 C ATOM 848 CG LYS A 75 7.248 -12.347 -5.322 1.00 0.00 C ATOM 849 CD LYS A 75 6.158 -13.226 -4.673 1.00 0.00 C ATOM 850 CE LYS A 75 5.532 -14.263 -5.622 1.00 0.00 C ATOM 851 NZ LYS A 75 4.622 -13.627 -6.600 1.00 0.00 N ATOM 0 H LYS A 75 10.028 -11.904 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 75 8.394 -9.539 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.225 -11.805 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.934 -10.718 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.839 -11.856 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.069 -12.979 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.589 -13.747 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.369 -12.580 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.322 -14.796 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.982 -15.004 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.930 -14.327 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.122 -12.836 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.173 -13.270 -7.406 1.00 0.00 H new ATOM 864 N PHE A 76 8.462 -8.529 -3.049 1.00 0.00 N ATOM 865 CA PHE A 76 8.795 -7.767 -1.822 1.00 0.00 C ATOM 866 C PHE A 76 8.171 -8.536 -0.596 1.00 0.00 C ATOM 867 O PHE A 76 7.220 -9.318 -0.704 1.00 0.00 O ATOM 868 CB PHE A 76 8.447 -6.248 -1.990 1.00 0.00 C ATOM 869 CG PHE A 76 9.277 -5.380 -1.022 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.618 -5.119 -1.330 1.00 0.00 C ATOM 871 CD2 PHE A 76 8.776 -4.988 0.224 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.439 -4.467 -0.413 1.00 0.00 C ATOM 873 CE2 PHE A 76 9.609 -4.363 1.151 1.00 0.00 C ATOM 874 CZ PHE A 76 10.934 -4.093 0.828 1.00 0.00 C ATOM 0 H PHE A 76 7.528 -8.348 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 76 9.866 -7.725 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.639 -5.939 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.384 -6.092 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.018 -5.425 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.740 -5.170 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.467 -4.252 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.224 -4.088 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.572 -3.592 1.541 1.00 0.00 H new ATOM 884 N SER A 77 8.727 -8.337 0.597 1.00 0.00 N ATOM 885 CA SER A 77 8.295 -9.073 1.821 1.00 0.00 C ATOM 886 C SER A 77 8.931 -8.395 3.059 1.00 0.00 C ATOM 887 O SER A 77 10.160 -8.315 3.175 1.00 0.00 O ATOM 888 CB SER A 77 8.692 -10.577 1.786 1.00 0.00 C ATOM 889 OG SER A 77 10.108 -10.774 1.752 1.00 0.00 O ATOM 0 H SER A 77 9.483 -7.672 0.760 1.00 0.00 H new ATOM 0 HA SER A 77 7.207 -9.033 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.281 -11.077 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.243 -11.047 0.911 1.00 0.00 H new ATOM 0 HG SER A 77 10.558 -9.978 2.105 1.00 0.00 H new ATOM 895 N PHE A 78 8.096 -7.892 3.965 1.00 0.00 N ATOM 896 CA PHE A 78 8.573 -7.252 5.216 1.00 0.00 C ATOM 897 C PHE A 78 7.870 -7.873 6.472 1.00 0.00 C ATOM 898 O PHE A 78 7.108 -8.845 6.389 1.00 0.00 O ATOM 899 CB PHE A 78 8.416 -5.724 5.085 1.00 0.00 C ATOM 900 CG PHE A 78 7.020 -5.101 5.249 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.130 -4.908 4.185 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.752 -4.518 6.485 1.00 0.00 C ATOM 903 CE1 PHE A 78 4.990 -4.117 4.375 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.625 -3.742 6.669 1.00 0.00 C ATOM 905 CZ PHE A 78 4.747 -3.533 5.623 1.00 0.00 C ATOM 0 H PHE A 78 7.081 -7.909 3.867 1.00 0.00 H new ATOM 0 HA PHE A 78 9.633 -7.451 5.370 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.071 -5.261 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.791 -5.438 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.321 -5.366 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.433 -4.675 7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.300 -3.958 3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.429 -3.297 7.633 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.871 -2.918 5.769 1.00 0.00 H new ATOM 915 N ASP A 79 8.127 -7.308 7.660 1.00 0.00 N ATOM 916 CA ASP A 79 7.437 -7.712 8.898 1.00 0.00 C ATOM 917 C ASP A 79 6.874 -6.372 9.477 1.00 0.00 C ATOM 918 O ASP A 79 7.621 -5.404 9.668 1.00 0.00 O ATOM 919 CB ASP A 79 8.474 -8.540 9.682 1.00 0.00 C ATOM 920 CG ASP A 79 7.880 -9.445 10.757 1.00 0.00 C ATOM 921 OD1 ASP A 79 8.161 -10.631 10.878 1.00 0.00 O ATOM 922 OD2 ASP A 79 6.988 -8.796 11.548 1.00 0.00 O ATOM 0 H ASP A 79 8.812 -6.564 7.792 1.00 0.00 H new ATOM 0 HA ASP A 79 6.570 -8.371 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.037 -9.154 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.185 -7.859 10.150 1.00 0.00 H new ATOM 928 N LEU A 80 5.544 -6.292 9.663 1.00 0.00 N ATOM 929 CA LEU A 80 4.819 -5.050 10.064 1.00 0.00 C ATOM 930 C LEU A 80 5.425 -4.327 11.319 1.00 0.00 C ATOM 931 O LEU A 80 5.397 -4.858 12.432 1.00 0.00 O ATOM 932 CB LEU A 80 3.322 -5.421 10.234 1.00 0.00 C ATOM 933 CG LEU A 80 2.309 -4.274 9.993 1.00 0.00 C ATOM 934 CD1 LEU A 80 2.440 -3.676 8.588 1.00 0.00 C ATOM 935 CD2 LEU A 80 0.891 -4.820 10.182 1.00 0.00 C ATOM 0 H LEU A 80 4.925 -7.093 9.540 1.00 0.00 H new ATOM 0 HA LEU A 80 4.933 -4.302 9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.089 -6.235 9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.175 -5.803 11.244 1.00 0.00 H new ATOM 0 HG LEU A 80 2.519 -3.480 10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.711 -2.876 8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.445 -3.275 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.258 -4.452 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.168 -4.021 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.713 -5.625 9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.781 -5.203 11.197 1.00 0.00 H new ATOM 947 N GLY A 81 6.009 -3.132 11.121 1.00 0.00 N ATOM 948 CA GLY A 81 6.747 -2.407 12.215 1.00 0.00 C ATOM 949 C GLY A 81 8.057 -3.101 12.742 1.00 0.00 C ATOM 950 O GLY A 81 8.456 -2.811 13.870 1.00 0.00 O ATOM 0 H GLY A 81 5.995 -2.637 10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.007 -1.412 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.068 -2.272 13.057 1.00 0.00 H new ATOM 954 N LYS A 82 8.727 -3.982 11.958 1.00 0.00 N ATOM 955 CA LYS A 82 9.877 -4.822 12.438 1.00 0.00 C ATOM 956 C LYS A 82 11.166 -4.641 11.574 1.00 0.00 C ATOM 957 O LYS A 82 12.135 -4.042 12.043 1.00 0.00 O ATOM 958 CB LYS A 82 9.355 -6.291 12.530 1.00 0.00 C ATOM 959 CG LYS A 82 8.308 -6.549 13.647 1.00 0.00 C ATOM 960 CD LYS A 82 8.750 -7.498 14.781 1.00 0.00 C ATOM 961 CE LYS A 82 8.802 -8.979 14.376 1.00 0.00 C ATOM 962 NZ LYS A 82 9.251 -9.787 15.525 1.00 0.00 N ATOM 0 H LYS A 82 8.494 -4.137 10.977 1.00 0.00 H new ATOM 0 HA LYS A 82 10.210 -4.500 13.425 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.915 -6.565 11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.206 -6.953 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.033 -5.591 14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.409 -6.958 13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.736 -7.193 15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.065 -7.386 15.621 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.818 -9.312 14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.482 -9.114 13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.286 -10.790 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.198 -9.475 15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.585 -9.667 16.315 1.00 0.00 H new ATOM 975 N GLY A 83 11.201 -5.136 10.318 1.00 0.00 N ATOM 976 CA GLY A 83 12.336 -4.830 9.374 1.00 0.00 C ATOM 977 C GLY A 83 11.753 -3.770 8.430 1.00 0.00 C ATOM 978 O GLY A 83 11.297 -3.994 7.308 1.00 0.00 O ATOM 0 H GLY A 83 10.479 -5.739 9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.209 -4.454 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.654 -5.719 8.829 1.00 0.00 H new ATOM 982 N GLU A 84 11.666 -2.633 9.095 1.00 0.00 N ATOM 983 CA GLU A 84 10.788 -1.545 8.732 1.00 0.00 C ATOM 984 C GLU A 84 11.138 -0.666 7.491 1.00 0.00 C ATOM 985 O GLU A 84 12.217 -0.172 7.165 1.00 0.00 O ATOM 986 CB GLU A 84 10.228 -0.853 10.007 1.00 0.00 C ATOM 987 CG GLU A 84 11.192 -0.404 11.139 1.00 0.00 C ATOM 988 CD GLU A 84 10.479 -0.279 12.484 1.00 0.00 C ATOM 989 OE1 GLU A 84 9.634 0.574 12.735 1.00 0.00 O ATOM 990 OE2 GLU A 84 10.842 -1.261 13.351 1.00 0.00 O ATOM 0 H GLU A 84 12.223 -2.439 9.927 1.00 0.00 H new ATOM 0 HA GLU A 84 9.935 -2.006 8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.679 0.030 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.502 -1.533 10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.007 -1.122 11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.639 0.555 10.875 1.00 0.00 H new ATOM 998 N VAL A 85 9.993 -0.579 6.873 1.00 0.00 N ATOM 999 CA VAL A 85 9.629 0.028 5.595 1.00 0.00 C ATOM 1000 C VAL A 85 9.481 1.558 5.803 1.00 0.00 C ATOM 1001 O VAL A 85 10.424 2.282 6.132 1.00 0.00 O ATOM 1002 CB VAL A 85 8.379 -0.867 5.173 1.00 0.00 C ATOM 1003 CG1 VAL A 85 8.778 -2.346 4.849 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.159 -0.890 6.141 1.00 0.00 C ATOM 0 H VAL A 85 9.166 -0.988 7.308 1.00 0.00 H new ATOM 0 HA VAL A 85 10.333 0.017 4.763 1.00 0.00 H new ATOM 0 HB VAL A 85 8.042 -0.343 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.888 -2.910 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.491 -2.358 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.233 -2.801 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.382 -1.536 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.473 -1.270 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.767 0.120 6.256 1.00 0.00 H new ATOM 1014 N ILE A 86 8.273 2.022 5.561 1.00 0.00 N ATOM 1015 CA ILE A 86 7.824 3.372 5.945 1.00 0.00 C ATOM 1016 C ILE A 86 6.588 3.215 6.869 1.00 0.00 C ATOM 1017 O ILE A 86 5.818 2.246 6.845 1.00 0.00 O ATOM 1018 CB ILE A 86 7.590 4.401 4.790 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.533 3.956 3.750 1.00 0.00 C ATOM 1020 CG2 ILE A 86 8.941 4.849 4.213 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.326 4.871 2.538 1.00 0.00 C ATOM 0 H ILE A 86 7.555 1.475 5.086 1.00 0.00 H new ATOM 0 HA ILE A 86 8.658 3.839 6.469 1.00 0.00 H new ATOM 0 HB ILE A 86 7.119 5.290 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.811 2.967 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.577 3.850 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.774 5.566 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.535 5.317 4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.475 3.983 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.561 4.446 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.008 5.857 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.262 4.961 1.986 1.00 0.00 H new ATOM 1033 N LYS A 87 6.384 4.249 7.672 1.00 0.00 N ATOM 1034 CA LYS A 87 5.209 4.323 8.584 1.00 0.00 C ATOM 1035 C LYS A 87 3.829 4.453 7.838 1.00 0.00 C ATOM 1036 O LYS A 87 2.804 3.943 8.295 1.00 0.00 O ATOM 1037 CB LYS A 87 5.553 5.339 9.704 1.00 0.00 C ATOM 1038 CG LYS A 87 4.910 5.065 11.078 1.00 0.00 C ATOM 1039 CD LYS A 87 3.570 5.783 11.277 1.00 0.00 C ATOM 1040 CE LYS A 87 2.988 5.489 12.670 1.00 0.00 C ATOM 1041 NZ LYS A 87 1.942 6.470 13.010 1.00 0.00 N ATOM 0 H LYS A 87 7.005 5.056 7.724 1.00 0.00 H new ATOM 0 HA LYS A 87 5.024 3.374 9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.636 5.361 9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.250 6.332 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.759 3.992 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.600 5.376 11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.708 6.857 11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.865 5.464 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.571 4.482 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.782 5.521 13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.142 5.982 13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.330 7.178 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.616 6.944 12.144 1.00 0.00 H new ATOM 1054 N ALA A 88 3.840 5.060 6.635 1.00 0.00 N ATOM 1055 CA ALA A 88 2.729 5.020 5.666 1.00 0.00 C ATOM 1056 C ALA A 88 2.433 3.564 5.197 1.00 0.00 C ATOM 1057 O ALA A 88 1.252 3.256 5.015 1.00 0.00 O ATOM 1058 CB ALA A 88 3.140 5.898 4.470 1.00 0.00 C ATOM 0 H ALA A 88 4.638 5.602 6.304 1.00 0.00 H new ATOM 0 HA ALA A 88 1.815 5.391 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.343 5.896 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.316 6.918 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.053 5.502 4.025 1.00 0.00 H new ATOM 1064 N TRP A 89 3.448 2.670 5.003 1.00 0.00 N ATOM 1065 CA TRP A 89 3.135 1.253 4.725 1.00 0.00 C ATOM 1066 C TRP A 89 2.559 0.535 5.963 1.00 0.00 C ATOM 1067 O TRP A 89 1.620 -0.229 5.804 1.00 0.00 O ATOM 1068 CB TRP A 89 4.331 0.480 4.177 1.00 0.00 C ATOM 1069 CG TRP A 89 4.736 0.762 2.742 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.404 1.839 1.915 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.472 -0.085 1.981 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.870 1.632 0.603 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.527 0.416 0.668 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.171 -1.241 2.353 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.246 -0.292 -0.324 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 6.897 -1.915 1.377 1.00 0.00 C ATOM 1077 CH2 TRP A 89 6.927 -1.459 0.048 1.00 0.00 C ATOM 0 H TRP A 89 4.441 2.899 5.033 1.00 0.00 H new ATOM 0 HA TRP A 89 2.370 1.269 3.949 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.189 0.685 4.817 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.115 -0.585 4.265 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.861 2.715 2.240 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.751 2.238 -0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.147 -1.599 3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.269 0.059 -1.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.448 -2.805 1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.481 -2.014 -0.695 1.00 0.00 H new ATOM 1088 N ASP A 90 3.077 0.747 7.182 1.00 0.00 N ATOM 1089 CA ASP A 90 2.424 0.176 8.395 1.00 0.00 C ATOM 1090 C ASP A 90 0.901 0.536 8.545 1.00 0.00 C ATOM 1091 O ASP A 90 0.109 -0.361 8.831 1.00 0.00 O ATOM 1092 CB ASP A 90 3.318 0.548 9.607 1.00 0.00 C ATOM 1093 CG ASP A 90 2.912 -0.066 10.940 1.00 0.00 C ATOM 1094 OD1 ASP A 90 2.141 0.464 11.730 1.00 0.00 O ATOM 1095 OD2 ASP A 90 3.517 -1.258 11.165 1.00 0.00 O ATOM 0 H ASP A 90 3.920 1.291 7.364 1.00 0.00 H new ATOM 0 HA ASP A 90 2.366 -0.909 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.342 0.247 9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.321 1.633 9.713 1.00 0.00 H new ATOM 1101 N ILE A 91 0.482 1.782 8.260 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.960 2.168 8.289 1.00 0.00 C ATOM 1103 C ILE A 91 -1.793 1.484 7.139 1.00 0.00 C ATOM 1104 O ILE A 91 -2.722 0.692 7.379 1.00 0.00 O ATOM 1105 CB ILE A 91 -1.094 3.737 8.480 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -1.216 4.099 9.994 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -2.312 4.404 7.786 1.00 0.00 C ATOM 1108 CD1 ILE A 91 0.024 3.787 10.853 1.00 0.00 C ATOM 0 H ILE A 91 1.111 2.544 8.007 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.453 1.753 9.168 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.187 4.119 8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.436 5.163 10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.069 3.563 10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.302 5.476 7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.257 4.233 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.234 3.972 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.167 4.077 11.886 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.238 2.719 10.809 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.880 4.344 10.472 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.425 1.768 5.882 1.00 0.00 N ATOM 1121 CA ALA A 92 -2.116 1.202 4.705 1.00 0.00 C ATOM 1122 C ALA A 92 -1.953 -0.331 4.428 1.00 0.00 C ATOM 1123 O ALA A 92 -2.862 -0.931 3.847 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.721 2.101 3.537 1.00 0.00 C ATOM 0 H ALA A 92 -0.650 2.389 5.649 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.190 1.210 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.197 1.742 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.045 3.122 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.638 2.082 3.413 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.837 -0.977 4.823 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.665 -2.451 4.687 1.00 0.00 C ATOM 1132 C VAL A 93 -1.432 -3.175 5.842 1.00 0.00 C ATOM 1133 O VAL A 93 -2.143 -4.129 5.533 1.00 0.00 O ATOM 1134 CB VAL A 93 0.827 -2.846 4.446 1.00 0.00 C ATOM 1135 CG1 VAL A 93 1.031 -4.340 4.214 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.424 -2.214 3.171 1.00 0.00 C ATOM 0 H VAL A 93 -0.035 -0.505 5.241 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.136 -2.820 3.776 1.00 0.00 H new ATOM 0 HB VAL A 93 1.308 -2.495 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.090 -4.542 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.684 -4.894 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.465 -4.653 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.462 -2.528 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.853 -2.540 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.379 -1.128 3.248 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.367 -2.722 7.121 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.240 -3.242 8.216 1.00 0.00 C ATOM 1148 C ALA A 94 -3.780 -3.254 7.905 1.00 0.00 C ATOM 1149 O ALA A 94 -4.504 -4.131 8.378 1.00 0.00 O ATOM 1150 CB ALA A 94 -1.991 -2.413 9.491 1.00 0.00 C ATOM 0 H ALA A 94 -0.718 -1.996 7.424 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.961 -4.288 8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.624 -2.785 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.944 -2.500 9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.228 -1.367 9.297 1.00 0.00 H new ATOM 1156 N THR A 95 -4.260 -2.268 7.124 1.00 0.00 N ATOM 1157 CA THR A 95 -5.678 -2.192 6.678 1.00 0.00 C ATOM 1158 C THR A 95 -6.051 -2.985 5.360 1.00 0.00 C ATOM 1159 O THR A 95 -7.258 -3.104 5.133 1.00 0.00 O ATOM 1160 CB THR A 95 -6.132 -0.694 6.649 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.198 0.142 5.976 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.322 -0.065 8.039 1.00 0.00 C ATOM 0 H THR A 95 -3.683 -1.500 6.781 1.00 0.00 H new ATOM 0 HA THR A 95 -6.255 -2.739 7.424 1.00 0.00 H new ATOM 0 HB THR A 95 -7.088 -0.740 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.432 0.315 6.562 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.637 0.973 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.084 -0.619 8.588 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.381 -0.103 8.587 1.00 0.00 H new ATOM 1170 N MET A 96 -5.152 -3.528 4.485 1.00 0.00 N ATOM 1171 CA MET A 96 -5.602 -4.302 3.270 1.00 0.00 C ATOM 1172 C MET A 96 -5.796 -5.851 3.499 1.00 0.00 C ATOM 1173 O MET A 96 -5.075 -6.474 4.280 1.00 0.00 O ATOM 1174 CB MET A 96 -4.753 -3.972 2.013 1.00 0.00 C ATOM 1175 CG MET A 96 -3.318 -4.511 1.885 1.00 0.00 C ATOM 1176 SD MET A 96 -2.847 -4.339 0.150 1.00 0.00 S ATOM 1177 CE MET A 96 -1.062 -4.199 0.265 1.00 0.00 C ATOM 0 H MET A 96 -4.140 -3.452 4.586 1.00 0.00 H new ATOM 0 HA MET A 96 -6.612 -3.943 3.074 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.310 -4.326 1.145 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.698 -2.886 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.637 -3.953 2.527 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.268 -5.554 2.197 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.605 -4.641 -0.620 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.783 -3.147 0.331 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.712 -4.723 1.154 1.00 0.00 H new ATOM 1187 N LYS A 97 -6.765 -6.483 2.804 1.00 0.00 N ATOM 1188 CA LYS A 97 -7.072 -7.939 2.959 1.00 0.00 C ATOM 1189 C LYS A 97 -6.238 -8.926 2.071 1.00 0.00 C ATOM 1190 O LYS A 97 -5.691 -8.602 0.997 1.00 0.00 O ATOM 1191 CB LYS A 97 -8.605 -8.155 2.739 1.00 0.00 C ATOM 1192 CG LYS A 97 -9.501 -7.943 3.980 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.900 -8.564 3.790 1.00 0.00 C ATOM 1194 CE LYS A 97 -11.765 -8.444 5.051 1.00 0.00 C ATOM 1195 NZ LYS A 97 -13.039 -9.159 4.833 1.00 0.00 N ATOM 0 H LYS A 97 -7.358 -6.011 2.122 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.768 -8.196 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.939 -7.477 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.760 -9.169 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.023 -8.386 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.601 -6.876 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.404 -8.072 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.795 -9.615 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.240 -8.864 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.956 -7.395 5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.725 -8.877 5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.415 -8.920 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.876 -10.185 4.889 1.00 0.00 H new ATOM 1208 N VAL A 98 -6.226 -10.208 2.528 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.538 -11.321 1.807 1.00 0.00 C ATOM 1210 C VAL A 98 -6.133 -11.404 0.333 1.00 0.00 C ATOM 1211 O VAL A 98 -7.357 -11.579 0.217 1.00 0.00 O ATOM 1212 CB VAL A 98 -5.836 -12.721 2.425 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.003 -13.859 1.792 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.663 -12.915 3.944 1.00 0.00 C ATOM 0 H VAL A 98 -6.684 -10.499 3.392 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.470 -11.107 1.856 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.901 -12.766 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.259 -14.806 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.220 -13.919 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.942 -13.656 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.910 -13.943 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.630 -12.706 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.327 -12.233 4.476 1.00 0.00 H new ATOM 1224 N GLY A 99 -5.371 -11.367 -0.762 1.00 0.00 N ATOM 1225 CA GLY A 99 -6.014 -11.390 -2.110 1.00 0.00 C ATOM 1226 C GLY A 99 -5.350 -10.345 -2.981 1.00 0.00 C ATOM 1227 O GLY A 99 -5.048 -10.748 -4.099 1.00 0.00 O ATOM 0 H GLY A 99 -4.352 -11.323 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.913 -12.377 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.081 -11.187 -2.023 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.190 -9.073 -2.513 1.00 0.00 N ATOM 1232 CA GLU A 100 -4.228 -8.108 -3.203 1.00 0.00 C ATOM 1233 C GLU A 100 -4.206 -6.527 -3.276 1.00 0.00 C ATOM 1234 O GLU A 100 -3.515 -5.832 -2.523 1.00 0.00 O ATOM 1235 CB GLU A 100 -3.287 -8.634 -4.375 1.00 0.00 C ATOM 1236 CG GLU A 100 -3.819 -8.693 -5.845 1.00 0.00 C ATOM 1237 CD GLU A 100 -2.731 -8.865 -6.902 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -1.878 -9.745 -6.882 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -2.800 -7.907 -7.865 1.00 0.00 O ATOM 0 H GLU A 100 -5.678 -8.689 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.146 -8.228 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.395 -8.008 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.968 -9.641 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.525 -9.519 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.372 -7.778 -6.056 1.00 0.00 H new ATOM 1247 N LEU A 101 -4.805 -6.004 -4.332 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.570 -4.632 -4.845 1.00 0.00 C ATOM 1249 C LEU A 101 -5.199 -3.353 -4.224 1.00 0.00 C ATOM 1250 O LEU A 101 -6.418 -3.162 -4.248 1.00 0.00 O ATOM 1251 CB LEU A 101 -4.765 -4.665 -6.395 1.00 0.00 C ATOM 1252 CG LEU A 101 -4.410 -3.407 -7.234 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -2.954 -2.942 -7.117 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -4.717 -3.677 -8.717 1.00 0.00 C ATOM 0 H LEU A 101 -5.490 -6.522 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.558 -4.451 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.173 -5.494 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.811 -4.903 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.024 -2.604 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.803 -2.059 -7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.732 -2.698 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.290 -3.739 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.468 -2.795 -9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.124 -4.524 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.777 -3.904 -8.834 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.304 -2.431 -3.818 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.667 -1.055 -3.406 1.00 0.00 C ATOM 1268 C CYS A 102 -3.520 -0.061 -3.786 1.00 0.00 C ATOM 1269 O CYS A 102 -2.338 -0.427 -3.706 1.00 0.00 O ATOM 1270 CB CYS A 102 -4.909 -0.880 -1.888 1.00 0.00 C ATOM 1271 SG CYS A 102 -5.501 -2.378 -1.040 1.00 0.00 S ATOM 0 H CYS A 102 -3.303 -2.618 -3.765 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.601 -0.850 -3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.979 -0.556 -1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.636 -0.082 -1.739 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.484 -3.070 -0.621 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.816 1.204 -4.153 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.781 2.212 -4.388 1.00 0.00 C ATOM 1279 C ARG A 103 -2.788 3.290 -3.261 1.00 0.00 C ATOM 1280 O ARG A 103 -3.750 4.012 -2.999 1.00 0.00 O ATOM 1281 CB ARG A 103 -2.740 2.808 -5.791 1.00 0.00 C ATOM 1282 CG ARG A 103 -4.004 3.332 -6.496 1.00 0.00 C ATOM 1283 CD ARG A 103 -3.714 4.262 -7.691 1.00 0.00 C ATOM 1284 NE ARG A 103 -2.984 3.586 -8.802 1.00 0.00 N ATOM 1285 CZ ARG A 103 -1.705 3.763 -9.119 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -0.884 4.540 -8.476 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -1.255 3.120 -10.136 1.00 0.00 N ATOM 0 H ARG A 103 -4.768 1.544 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.837 1.670 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.033 3.637 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.310 2.047 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.592 2.483 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.616 3.869 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.656 4.657 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.128 5.114 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.515 2.927 -9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.210 5.067 -7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.085 4.623 -8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.873 2.504 -10.664 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.280 3.226 -10.415 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.632 3.361 -2.629 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.303 4.280 -1.511 1.00 0.00 C ATOM 1302 C ILE A 104 -1.043 5.762 -1.972 1.00 0.00 C ATOM 1303 O ILE A 104 -0.475 6.026 -3.037 1.00 0.00 O ATOM 1304 CB ILE A 104 0.023 3.678 -0.845 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.152 2.227 -0.265 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.738 4.632 0.157 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.548 1.797 1.051 1.00 0.00 C ATOM 0 H ILE A 104 -0.847 2.759 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.146 4.338 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 104 0.704 3.585 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.221 2.068 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.174 1.533 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.625 4.141 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.032 5.547 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.059 4.877 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.297 0.760 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.628 1.893 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.211 2.436 1.868 1.00 0.00 H new ATOM 1319 N THR A 105 -1.410 6.732 -1.116 1.00 0.00 N ATOM 1320 CA THR A 105 -1.058 8.175 -1.321 1.00 0.00 C ATOM 1321 C THR A 105 -0.609 8.682 0.085 1.00 0.00 C ATOM 1322 O THR A 105 -1.408 8.631 1.032 1.00 0.00 O ATOM 1323 CB THR A 105 -2.188 8.982 -2.013 1.00 0.00 C ATOM 1324 OG1 THR A 105 -2.582 8.334 -3.218 1.00 0.00 O ATOM 1325 CG2 THR A 105 -1.748 10.391 -2.444 1.00 0.00 C ATOM 0 H THR A 105 -1.952 6.557 -0.270 1.00 0.00 H new ATOM 0 HA THR A 105 -0.245 8.316 -2.033 1.00 0.00 H new ATOM 0 HB THR A 105 -2.988 9.046 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.297 8.849 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.584 10.903 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.428 10.956 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.920 10.314 -3.148 1.00 0.00 H new ATOM 1333 N CYS A 106 0.667 9.113 0.245 1.00 0.00 N ATOM 1334 CA CYS A 106 1.207 9.468 1.590 1.00 0.00 C ATOM 1335 C CYS A 106 2.008 10.809 1.726 1.00 0.00 C ATOM 1336 O CYS A 106 2.655 11.314 0.801 1.00 0.00 O ATOM 1337 CB CYS A 106 2.050 8.255 2.056 1.00 0.00 C ATOM 1338 SG CYS A 106 3.219 7.678 0.789 1.00 0.00 S ATOM 0 H CYS A 106 1.332 9.223 -0.520 1.00 0.00 H new ATOM 0 HA CYS A 106 0.347 9.674 2.227 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.602 8.527 2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.382 7.437 2.327 1.00 0.00 H new ATOM 0 HG CYS A 106 3.126 8.435 -0.264 1.00 0.00 H new ATOM 1344 N LYS A 107 1.992 11.326 2.964 1.00 0.00 N ATOM 1345 CA LYS A 107 2.650 12.600 3.360 1.00 0.00 C ATOM 1346 C LYS A 107 4.082 12.412 4.003 1.00 0.00 C ATOM 1347 O LYS A 107 4.255 11.455 4.773 1.00 0.00 O ATOM 1348 CB LYS A 107 1.714 13.258 4.416 1.00 0.00 C ATOM 1349 CG LYS A 107 1.910 14.773 4.645 1.00 0.00 C ATOM 1350 CD LYS A 107 0.888 15.373 5.636 1.00 0.00 C ATOM 1351 CE LYS A 107 1.319 15.426 7.113 1.00 0.00 C ATOM 1352 NZ LYS A 107 1.406 14.106 7.771 1.00 0.00 N ATOM 0 H LYS A 107 1.514 10.868 3.740 1.00 0.00 H new ATOM 0 HA LYS A 107 2.800 13.204 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.681 13.087 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.856 12.746 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.918 14.950 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.829 15.292 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.652 16.387 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.033 14.794 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.291 15.916 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.612 16.047 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.734 14.227 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.468 13.657 7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.077 13.503 7.253 1.00 0.00 H new ATOM 1365 N PRO A 108 5.090 13.329 3.828 1.00 0.00 N ATOM 1366 CA PRO A 108 6.444 13.215 4.452 1.00 0.00 C ATOM 1367 C PRO A 108 6.625 12.786 5.942 1.00 0.00 C ATOM 1368 O PRO A 108 7.649 12.173 6.245 1.00 0.00 O ATOM 1369 CB PRO A 108 7.042 14.606 4.160 1.00 0.00 C ATOM 1370 CG PRO A 108 6.499 14.911 2.789 1.00 0.00 C ATOM 1371 CD PRO A 108 5.052 14.433 2.843 1.00 0.00 C ATOM 0 HA PRO A 108 6.941 12.345 4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.727 15.346 4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.132 14.590 4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.558 15.976 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.061 14.391 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.378 15.229 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.706 14.090 1.868 1.00 0.00 H new ATOM 1379 N GLU A 109 5.679 13.052 6.866 1.00 0.00 N ATOM 1380 CA GLU A 109 5.826 12.608 8.284 1.00 0.00 C ATOM 1381 C GLU A 109 5.823 11.058 8.505 1.00 0.00 C ATOM 1382 O GLU A 109 6.567 10.522 9.327 1.00 0.00 O ATOM 1383 CB GLU A 109 4.784 13.384 9.141 1.00 0.00 C ATOM 1384 CG GLU A 109 5.012 13.382 10.675 1.00 0.00 C ATOM 1385 CD GLU A 109 6.143 14.286 11.160 1.00 0.00 C ATOM 1386 OE1 GLU A 109 7.247 13.866 11.496 1.00 0.00 O ATOM 1387 OE2 GLU A 109 5.775 15.601 11.184 1.00 0.00 O ATOM 0 H GLU A 109 4.817 13.562 6.670 1.00 0.00 H new ATOM 0 HA GLU A 109 6.831 12.861 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.765 14.419 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.798 12.964 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.087 13.687 11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.220 12.361 10.995 1.00 0.00 H new ATOM 1395 N TYR A 110 4.970 10.367 7.755 1.00 0.00 N ATOM 1396 CA TYR A 110 4.921 8.901 7.669 1.00 0.00 C ATOM 1397 C TYR A 110 5.900 8.296 6.592 1.00 0.00 C ATOM 1398 O TYR A 110 6.002 7.068 6.529 1.00 0.00 O ATOM 1399 CB TYR A 110 3.456 8.594 7.271 1.00 0.00 C ATOM 1400 CG TYR A 110 2.379 8.567 8.380 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.129 9.683 9.185 1.00 0.00 C ATOM 1402 CD2 TYR A 110 1.666 7.387 8.626 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.267 9.593 10.275 1.00 0.00 C ATOM 1404 CE2 TYR A 110 0.791 7.306 9.698 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.607 8.397 10.538 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.271 8.310 11.583 1.00 0.00 O ATOM 0 H TYR A 110 4.269 10.821 7.169 1.00 0.00 H new ATOM 0 HA TYR A 110 5.233 8.456 8.614 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.152 9.335 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.444 7.624 6.774 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.609 10.624 8.959 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.799 6.535 7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.111 10.449 10.914 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.249 6.390 9.881 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.643 7.404 11.623 1.00 0.00 H new ATOM 1416 N ALA A 111 6.575 9.101 5.738 1.00 0.00 N ATOM 1417 CA ALA A 111 7.435 8.564 4.647 1.00 0.00 C ATOM 1418 C ALA A 111 8.952 8.929 4.845 1.00 0.00 C ATOM 1419 O ALA A 111 9.454 8.729 5.954 1.00 0.00 O ATOM 1420 CB ALA A 111 6.745 9.101 3.369 1.00 0.00 C ATOM 0 H ALA A 111 6.544 10.120 5.780 1.00 0.00 H new ATOM 0 HA ALA A 111 7.503 7.477 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.296 8.766 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.723 8.725 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.730 10.191 3.394 1.00 0.00 H new ATOM 1426 N TYR A 112 9.725 9.412 3.833 1.00 0.00 N ATOM 1427 CA TYR A 112 11.155 9.814 4.063 1.00 0.00 C ATOM 1428 C TYR A 112 11.322 11.336 4.497 1.00 0.00 C ATOM 1429 O TYR A 112 12.464 11.770 4.657 1.00 0.00 O ATOM 1430 CB TYR A 112 12.149 9.357 2.925 1.00 0.00 C ATOM 1431 CG TYR A 112 11.741 8.325 1.839 1.00 0.00 C ATOM 1432 CD1 TYR A 112 11.486 7.003 2.224 1.00 0.00 C ATOM 1433 CD2 TYR A 112 11.747 8.639 0.475 1.00 0.00 C ATOM 1434 CE1 TYR A 112 11.221 6.021 1.271 1.00 0.00 C ATOM 1435 CE2 TYR A 112 11.501 7.652 -0.480 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.229 6.347 -0.080 1.00 0.00 C ATOM 1437 OH TYR A 112 10.976 5.381 -1.017 1.00 0.00 O ATOM 0 H TYR A 112 9.400 9.533 2.874 1.00 0.00 H new ATOM 0 HA TYR A 112 11.468 9.236 4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.460 10.260 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.033 8.957 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 112 11.495 6.741 3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.944 9.653 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 112 11.010 5.009 1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.522 7.901 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 112 11.019 5.775 -1.913 1.00 0.00 H new ATOM 1447 N GLY A 113 10.256 12.159 4.721 1.00 0.00 N ATOM 1448 CA GLY A 113 10.378 13.570 5.178 1.00 0.00 C ATOM 1449 C GLY A 113 11.244 13.970 6.376 1.00 0.00 C ATOM 1450 O GLY A 113 12.162 14.777 6.234 1.00 0.00 O ATOM 0 H GLY A 113 9.290 11.859 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.739 14.145 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.368 13.918 5.392 1.00 0.00 H new ATOM 1454 N SER A 114 10.895 13.452 7.554 1.00 0.00 N ATOM 1455 CA SER A 114 11.622 13.763 8.817 1.00 0.00 C ATOM 1456 C SER A 114 13.062 13.153 8.942 1.00 0.00 C ATOM 1457 O SER A 114 13.950 13.833 9.461 1.00 0.00 O ATOM 1458 CB SER A 114 10.702 13.377 10.004 1.00 0.00 C ATOM 1459 OG SER A 114 9.491 14.143 9.984 1.00 0.00 O ATOM 0 H SER A 114 10.111 12.810 7.675 1.00 0.00 H new ATOM 0 HA SER A 114 11.829 14.833 8.820 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.465 12.314 9.955 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.227 13.544 10.945 1.00 0.00 H new ATOM 0 HG SER A 114 8.875 13.799 10.664 1.00 0.00 H new ATOM 1465 N ALA A 115 13.300 11.905 8.488 1.00 0.00 N ATOM 1466 CA ALA A 115 14.636 11.250 8.592 1.00 0.00 C ATOM 1467 C ALA A 115 15.284 10.577 7.327 1.00 0.00 C ATOM 1468 O ALA A 115 16.450 10.188 7.456 1.00 0.00 O ATOM 1469 CB ALA A 115 14.497 10.233 9.748 1.00 0.00 C ATOM 0 H ALA A 115 12.589 11.324 8.044 1.00 0.00 H new ATOM 0 HA ALA A 115 15.352 12.057 8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.442 9.709 9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.236 10.759 10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.715 9.513 9.507 1.00 0.00 H new ATOM 1475 N GLY A 116 14.654 10.416 6.137 1.00 0.00 N ATOM 1476 CA GLY A 116 15.294 9.711 5.000 1.00 0.00 C ATOM 1477 C GLY A 116 15.137 8.170 5.052 1.00 0.00 C ATOM 1478 O GLY A 116 14.861 7.575 6.101 1.00 0.00 O ATOM 0 H GLY A 116 13.714 10.761 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.865 10.079 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.355 9.958 4.982 1.00 0.00 H new ATOM 1482 N SER A 117 15.271 7.498 3.900 1.00 0.00 N ATOM 1483 CA SER A 117 15.190 6.011 3.860 1.00 0.00 C ATOM 1484 C SER A 117 16.585 5.391 4.249 1.00 0.00 C ATOM 1485 O SER A 117 17.582 5.868 3.692 1.00 0.00 O ATOM 1486 CB SER A 117 14.728 5.494 2.488 1.00 0.00 C ATOM 1487 OG SER A 117 14.261 4.148 2.571 1.00 0.00 O ATOM 0 H SER A 117 15.433 7.939 2.995 1.00 0.00 H new ATOM 0 HA SER A 117 14.440 5.696 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.933 6.134 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.554 5.552 1.779 1.00 0.00 H new ATOM 0 HG SER A 117 13.972 3.847 1.684 1.00 0.00 H new ATOM 1493 N PRO A 118 16.718 4.318 5.087 1.00 0.00 N ATOM 1494 CA PRO A 118 18.035 3.763 5.531 1.00 0.00 C ATOM 1495 C PRO A 118 19.349 3.759 4.648 1.00 0.00 C ATOM 1496 O PRO A 118 20.379 4.122 5.225 1.00 0.00 O ATOM 1497 CB PRO A 118 17.628 2.387 6.084 1.00 0.00 C ATOM 1498 CG PRO A 118 16.239 2.628 6.684 1.00 0.00 C ATOM 1499 CD PRO A 118 15.578 3.668 5.773 1.00 0.00 C ATOM 0 HA PRO A 118 18.470 4.491 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 118 17.598 1.633 5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 118 18.333 2.034 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.658 1.706 6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 118 16.311 2.992 7.709 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.898 3.200 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.994 4.388 6.347 1.00 0.00 H new ATOM 1507 N PRO A 119 19.429 3.404 3.328 1.00 0.00 N ATOM 1508 CA PRO A 119 20.722 3.416 2.581 1.00 0.00 C ATOM 1509 C PRO A 119 21.310 4.794 2.099 1.00 0.00 C ATOM 1510 O PRO A 119 22.485 5.059 2.358 1.00 0.00 O ATOM 1511 CB PRO A 119 20.435 2.416 1.441 1.00 0.00 C ATOM 1512 CG PRO A 119 18.925 2.507 1.201 1.00 0.00 C ATOM 1513 CD PRO A 119 18.335 2.741 2.592 1.00 0.00 C ATOM 0 HA PRO A 119 21.546 3.149 3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 119 20.993 2.673 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 119 20.729 1.404 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.679 3.323 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.537 1.592 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.444 3.367 2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.043 1.804 3.066 1.00 0.00 H new ATOM 1521 N LYS A 120 20.545 5.632 1.371 1.00 0.00 N ATOM 1522 CA LYS A 120 21.055 6.928 0.798 1.00 0.00 C ATOM 1523 C LYS A 120 20.026 8.108 0.557 1.00 0.00 C ATOM 1524 O LYS A 120 20.425 9.160 0.046 1.00 0.00 O ATOM 1525 CB LYS A 120 21.739 6.623 -0.581 1.00 0.00 C ATOM 1526 CG LYS A 120 23.100 5.888 -0.571 1.00 0.00 C ATOM 1527 CD LYS A 120 23.719 5.760 -1.981 1.00 0.00 C ATOM 1528 CE LYS A 120 25.102 5.086 -2.014 1.00 0.00 C ATOM 1529 NZ LYS A 120 25.017 3.643 -1.712 1.00 0.00 N ATOM 0 H LYS A 120 19.565 5.447 1.156 1.00 0.00 H new ATOM 0 HA LYS A 120 21.718 7.300 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.044 6.029 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.875 7.570 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 120 23.793 6.424 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 120 22.968 4.893 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 120 23.037 5.191 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 120 23.804 6.755 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 120 25.551 5.226 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 120 25.759 5.570 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 25.969 3.225 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 24.612 3.510 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 24.410 3.176 -2.416 1.00 0.00 H new ATOM 1542 N ILE A 121 18.737 8.003 0.915 1.00 0.00 N ATOM 1543 CA ILE A 121 17.707 9.047 0.591 1.00 0.00 C ATOM 1544 C ILE A 121 17.736 10.306 1.576 1.00 0.00 C ATOM 1545 O ILE A 121 17.794 10.060 2.786 1.00 0.00 O ATOM 1546 CB ILE A 121 16.276 8.403 0.475 1.00 0.00 C ATOM 1547 CG1 ILE A 121 16.193 7.319 -0.639 1.00 0.00 C ATOM 1548 CG2 ILE A 121 15.207 9.486 0.200 1.00 0.00 C ATOM 1549 CD1 ILE A 121 14.844 6.643 -0.921 1.00 0.00 C ATOM 0 H ILE A 121 18.365 7.207 1.433 1.00 0.00 H new ATOM 0 HA ILE A 121 17.971 9.455 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 121 16.083 7.920 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 121 16.533 7.776 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 121 16.908 6.535 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.226 9.018 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.202 10.208 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.439 9.997 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 121 14.962 5.916 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 121 14.496 6.136 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 121 14.115 7.396 -1.219 1.00 0.00 H new ATOM 1561 N PRO A 122 17.620 11.629 1.187 1.00 0.00 N ATOM 1562 CA PRO A 122 17.614 12.759 2.166 1.00 0.00 C ATOM 1563 C PRO A 122 16.174 13.226 2.668 1.00 0.00 C ATOM 1564 O PRO A 122 15.165 12.626 2.273 1.00 0.00 O ATOM 1565 CB PRO A 122 18.320 13.821 1.292 1.00 0.00 C ATOM 1566 CG PRO A 122 17.695 13.643 -0.092 1.00 0.00 C ATOM 1567 CD PRO A 122 17.486 12.131 -0.209 1.00 0.00 C ATOM 0 HA PRO A 122 18.081 12.523 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.155 14.827 1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 122 19.398 13.662 1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 122 16.753 14.184 -0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 122 18.351 14.018 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.505 11.896 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 122 18.227 11.677 -0.867 1.00 0.00 H new ATOM 1575 N PRO A 123 16.027 14.303 3.505 1.00 0.00 N ATOM 1576 CA PRO A 123 14.693 14.816 3.949 1.00 0.00 C ATOM 1577 C PRO A 123 13.709 15.407 2.866 1.00 0.00 C ATOM 1578 O PRO A 123 14.038 15.623 1.699 1.00 0.00 O ATOM 1579 CB PRO A 123 15.098 15.866 5.012 1.00 0.00 C ATOM 1580 CG PRO A 123 16.432 15.377 5.562 1.00 0.00 C ATOM 1581 CD PRO A 123 17.137 14.843 4.321 1.00 0.00 C ATOM 0 HA PRO A 123 14.075 13.987 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 123 15.193 16.858 4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 123 14.349 15.938 5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 123 16.996 16.183 6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 123 16.298 14.601 6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 123 17.677 15.630 3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 123 17.864 14.071 4.572 1.00 0.00 H new ATOM 1589 N ASN A 124 12.473 15.688 3.320 1.00 0.00 N ATOM 1590 CA ASN A 124 11.348 16.272 2.520 1.00 0.00 C ATOM 1591 C ASN A 124 10.853 15.470 1.246 1.00 0.00 C ATOM 1592 O ASN A 124 10.721 16.037 0.158 1.00 0.00 O ATOM 1593 CB ASN A 124 11.640 17.783 2.295 1.00 0.00 C ATOM 1594 CG ASN A 124 10.420 18.655 1.952 1.00 0.00 C ATOM 1595 OD1 ASN A 124 9.274 18.220 1.925 1.00 0.00 O ATOM 1596 ND2 ASN A 124 10.583 19.935 1.729 1.00 0.00 N ATOM 0 H ASN A 124 12.207 15.513 4.289 1.00 0.00 H new ATOM 0 HA ASN A 124 10.444 16.163 3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.107 18.182 3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 124 12.369 17.877 1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.774 20.527 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.519 20.340 1.742 1.00 0.00 H new ATOM 1603 N ALA A 125 10.493 14.178 1.391 1.00 0.00 N ATOM 1604 CA ALA A 125 10.016 13.347 0.252 1.00 0.00 C ATOM 1605 C ALA A 125 8.513 12.912 0.381 1.00 0.00 C ATOM 1606 O ALA A 125 8.167 12.058 1.206 1.00 0.00 O ATOM 1607 CB ALA A 125 10.973 12.145 0.192 1.00 0.00 C ATOM 0 H ALA A 125 10.521 13.683 2.282 1.00 0.00 H new ATOM 0 HA ALA A 125 10.033 13.921 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.681 11.488 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 125 11.991 12.498 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 125 10.927 11.596 1.132 1.00 0.00 H new ATOM 1613 N THR A 126 7.604 13.525 -0.409 1.00 0.00 N ATOM 1614 CA THR A 126 6.147 13.151 -0.439 1.00 0.00 C ATOM 1615 C THR A 126 6.003 11.902 -1.400 1.00 0.00 C ATOM 1616 O THR A 126 6.583 11.949 -2.494 1.00 0.00 O ATOM 1617 CB THR A 126 5.336 14.374 -0.955 1.00 0.00 C ATOM 1618 OG1 THR A 126 5.535 15.517 -0.130 1.00 0.00 O ATOM 1619 CG2 THR A 126 3.820 14.152 -1.004 1.00 0.00 C ATOM 0 H THR A 126 7.843 14.287 -1.043 1.00 0.00 H new ATOM 0 HA THR A 126 5.765 12.888 0.547 1.00 0.00 H new ATOM 0 HB THR A 126 5.713 14.521 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.014 16.269 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 126 3.332 15.053 -1.375 1.00 0.00 H new ATOM 0 HG22 THR A 126 3.596 13.318 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.453 13.926 -0.003 1.00 0.00 H new ATOM 1627 N LEU A 127 5.249 10.819 -1.086 1.00 0.00 N ATOM 1628 CA LEU A 127 5.286 9.589 -1.938 1.00 0.00 C ATOM 1629 C LEU A 127 3.903 9.030 -2.369 1.00 0.00 C ATOM 1630 O LEU A 127 2.819 9.366 -1.882 1.00 0.00 O ATOM 1631 CB LEU A 127 6.093 8.497 -1.151 1.00 0.00 C ATOM 1632 CG LEU A 127 7.562 8.774 -0.780 1.00 0.00 C ATOM 1633 CD1 LEU A 127 8.081 7.655 0.134 1.00 0.00 C ATOM 1634 CD2 LEU A 127 8.414 8.846 -2.048 1.00 0.00 C ATOM 0 H LEU A 127 4.627 10.764 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 127 5.762 9.867 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.553 8.292 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.070 7.582 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 127 7.627 9.727 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.121 7.852 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.479 7.618 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.013 6.699 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.452 9.042 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.351 7.898 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.047 9.649 -2.688 1.00 0.00 H new ATOM 1646 N VAL A 128 4.032 8.117 -3.326 1.00 0.00 N ATOM 1647 CA VAL A 128 2.910 7.433 -4.011 1.00 0.00 C ATOM 1648 C VAL A 128 3.323 5.928 -4.178 1.00 0.00 C ATOM 1649 O VAL A 128 4.412 5.649 -4.687 1.00 0.00 O ATOM 1650 CB VAL A 128 2.664 8.221 -5.358 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.719 7.530 -6.339 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.107 9.659 -5.186 1.00 0.00 C ATOM 0 H VAL A 128 4.944 7.814 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 128 1.965 7.431 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 128 3.679 8.251 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.610 8.144 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.127 6.557 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.744 7.395 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.972 10.117 -6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.148 9.618 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.809 10.254 -4.601 1.00 0.00 H new ATOM 1662 N PHE A 129 2.522 4.943 -3.722 1.00 0.00 N ATOM 1663 CA PHE A 129 2.848 3.489 -3.959 1.00 0.00 C ATOM 1664 C PHE A 129 1.586 2.706 -4.473 1.00 0.00 C ATOM 1665 O PHE A 129 0.445 3.146 -4.387 1.00 0.00 O ATOM 1666 CB PHE A 129 3.591 2.726 -2.818 1.00 0.00 C ATOM 1667 CG PHE A 129 4.953 3.224 -2.331 1.00 0.00 C ATOM 1668 CD1 PHE A 129 5.007 4.293 -1.444 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.129 2.527 -2.643 1.00 0.00 C ATOM 1670 CE1 PHE A 129 6.224 4.700 -0.909 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.344 2.916 -2.084 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.391 4.005 -1.218 1.00 0.00 C ATOM 0 H PHE A 129 1.662 5.103 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 129 3.606 3.522 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.926 2.704 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.721 1.695 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.099 4.810 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.093 1.686 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.265 5.557 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.247 2.374 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.332 4.311 -0.786 1.00 0.00 H new ATOM 1682 N GLU A 130 1.799 1.533 -5.063 1.00 0.00 N ATOM 1683 CA GLU A 130 0.750 0.603 -5.536 1.00 0.00 C ATOM 1684 C GLU A 130 1.199 -0.767 -5.024 1.00 0.00 C ATOM 1685 O GLU A 130 2.158 -1.350 -5.539 1.00 0.00 O ATOM 1686 CB GLU A 130 0.664 0.776 -7.062 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.381 0.033 -7.890 1.00 0.00 C ATOM 1688 CD GLU A 130 0.025 -1.349 -8.410 1.00 0.00 C ATOM 1689 OE1 GLU A 130 0.308 -1.577 -9.581 1.00 0.00 O ATOM 1690 OE2 GLU A 130 0.051 -2.293 -7.437 1.00 0.00 O ATOM 0 H GLU A 130 2.740 1.180 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.265 0.769 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.522 1.840 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.639 0.507 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.281 -0.080 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.647 0.656 -8.744 1.00 0.00 H new ATOM 1698 N VAL A 131 0.537 -1.245 -3.966 1.00 0.00 N ATOM 1699 CA VAL A 131 0.999 -2.476 -3.279 1.00 0.00 C ATOM 1700 C VAL A 131 -0.016 -3.642 -3.466 1.00 0.00 C ATOM 1701 O VAL A 131 -1.227 -3.495 -3.265 1.00 0.00 O ATOM 1702 CB VAL A 131 1.359 -2.153 -1.790 1.00 0.00 C ATOM 1703 CG1 VAL A 131 2.263 -3.260 -1.208 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.138 -0.844 -1.508 1.00 0.00 C ATOM 0 H VAL A 131 -0.300 -0.819 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 131 1.919 -2.836 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 131 0.371 -2.062 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.506 -3.024 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.740 -4.216 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.182 -3.324 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.318 -0.751 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.092 -0.867 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.554 0.009 -1.853 1.00 0.00 H new ATOM 1714 N GLU A 132 0.511 -4.815 -3.845 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.308 -6.031 -4.078 1.00 0.00 C ATOM 1716 C GLU A 132 0.040 -7.111 -3.030 1.00 0.00 C ATOM 1717 O GLU A 132 1.134 -7.674 -3.058 1.00 0.00 O ATOM 1718 CB GLU A 132 -0.060 -6.548 -5.514 1.00 0.00 C ATOM 1719 CG GLU A 132 -0.634 -5.646 -6.633 1.00 0.00 C ATOM 1720 CD GLU A 132 -0.112 -5.928 -8.038 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -0.312 -6.974 -8.648 1.00 0.00 O ATOM 1722 OE2 GLU A 132 0.573 -4.871 -8.556 1.00 0.00 O ATOM 0 H GLU A 132 1.509 -4.956 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.366 -5.789 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.014 -6.655 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -0.496 -7.543 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.719 -5.751 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.416 -4.607 -6.385 1.00 0.00 H new ATOM 1730 N LEU A 133 -0.885 -7.411 -2.114 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.633 -8.410 -1.042 1.00 0.00 C ATOM 1732 C LEU A 133 -1.119 -9.863 -1.357 1.00 0.00 C ATOM 1733 O LEU A 133 -2.319 -10.160 -1.455 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.221 -7.939 0.318 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.257 -8.162 1.505 1.00 0.00 C ATOM 1736 CD1 LEU A 133 -0.802 -7.511 2.781 1.00 0.00 C ATOM 1737 CD2 LEU A 133 0.173 -9.617 1.717 1.00 0.00 C ATOM 0 H LEU A 133 -1.812 -6.987 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 133 0.454 -8.468 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -1.468 -6.879 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.152 -8.473 0.509 1.00 0.00 H new ATOM 0 HG LEU A 133 0.670 -7.657 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -0.106 -7.682 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.919 -6.439 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.769 -7.949 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 133 0.848 -9.676 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -0.706 -10.232 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.684 -9.979 0.825 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.146 -10.780 -1.409 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.394 -12.219 -1.643 1.00 0.00 C ATOM 1751 C PHE A 134 -0.895 -12.910 -0.322 1.00 0.00 C ATOM 1752 O PHE A 134 -2.052 -13.338 -0.288 1.00 0.00 O ATOM 1753 CB PHE A 134 0.849 -12.839 -2.355 1.00 0.00 C ATOM 1754 CG PHE A 134 1.296 -12.207 -3.692 1.00 0.00 C ATOM 1755 CD1 PHE A 134 0.456 -12.210 -4.812 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.543 -11.576 -3.776 1.00 0.00 C ATOM 1757 CE1 PHE A 134 0.852 -11.582 -5.990 1.00 0.00 C ATOM 1758 CE2 PHE A 134 2.942 -10.961 -4.957 1.00 0.00 C ATOM 1759 CZ PHE A 134 2.094 -10.961 -6.063 1.00 0.00 C ATOM 0 H PHE A 134 0.841 -10.551 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.218 -12.393 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.690 -12.793 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.642 -13.894 -2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.504 -12.702 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 134 3.199 -11.567 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 134 0.195 -11.577 -6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.909 -10.483 -5.017 1.00 0.00 H new ATOM 0 HZ PHE A 134 2.402 -10.478 -6.978 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.095 -13.018 0.767 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.568 -13.574 2.069 1.00 0.00 C ATOM 1771 C GLU A 135 0.346 -13.035 3.234 1.00 0.00 C ATOM 1772 O GLU A 135 1.435 -12.478 3.054 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.732 -15.126 1.977 1.00 0.00 C ATOM 1774 CG GLU A 135 -1.360 -15.846 3.202 1.00 0.00 C ATOM 1775 CD GLU A 135 -1.643 -17.331 2.989 1.00 0.00 C ATOM 1776 OE1 GLU A 135 -0.821 -18.136 2.565 1.00 0.00 O ATOM 1777 OE2 GLU A 135 -2.911 -17.673 3.344 1.00 0.00 O ATOM 0 H GLU A 135 0.883 -12.728 0.774 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.571 -13.222 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.344 -15.350 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.252 -15.560 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.690 -15.736 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.293 -15.345 3.463 1.00 0.00 H new ATOM 1785 N PHE A 136 -0.167 -13.146 4.458 1.00 0.00 N ATOM 1786 CA PHE A 136 0.504 -12.689 5.709 1.00 0.00 C ATOM 1787 C PHE A 136 0.162 -13.792 6.777 1.00 0.00 C ATOM 1788 O PHE A 136 0.780 -14.857 6.811 1.00 0.00 O ATOM 1789 CB PHE A 136 0.102 -11.211 6.065 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.356 -10.771 5.848 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -1.689 -10.318 4.574 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -2.376 -10.942 6.789 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.000 -10.104 4.211 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -3.704 -10.781 6.417 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.999 -10.362 5.126 1.00 0.00 C ATOM 0 H PHE A 136 -1.082 -13.564 4.629 1.00 0.00 H new ATOM 0 HA PHE A 136 1.588 -12.609 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.345 -11.046 7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.739 -10.545 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.904 -10.131 3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.130 -11.200 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -3.242 -9.739 3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -4.497 -10.979 7.122 1.00 0.00 H new ATOM 0 HZ PHE A 136 -5.031 -10.236 4.833 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.851 -13.540 7.621 1.00 0.00 N ATOM 1806 CA LYS A 137 -1.404 -14.521 8.602 1.00 0.00 C ATOM 1807 C LYS A 137 -2.422 -15.584 7.989 1.00 0.00 C ATOM 1808 O LYS A 137 -2.306 -16.748 8.378 1.00 0.00 O ATOM 1809 CB LYS A 137 -1.888 -13.704 9.845 1.00 0.00 C ATOM 1810 CG LYS A 137 -2.724 -14.465 10.899 1.00 0.00 C ATOM 1811 CD LYS A 137 -3.014 -13.603 12.147 1.00 0.00 C ATOM 1812 CE LYS A 137 -3.850 -14.315 13.223 1.00 0.00 C ATOM 1813 NZ LYS A 137 -5.288 -14.320 12.884 1.00 0.00 N ATOM 0 H LYS A 137 -1.325 -12.637 7.651 1.00 0.00 H new ATOM 0 HA LYS A 137 -0.627 -15.210 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -1.010 -13.291 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -2.479 -12.861 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -3.666 -14.783 10.452 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.192 -15.368 11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.067 -13.290 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -3.536 -12.698 11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -3.499 -15.341 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -3.704 -13.820 14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -5.819 -14.809 13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -5.628 -13.341 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -5.430 -14.814 11.980 1.00 0.00 H new ATOM 1826 N GLY A 138 -3.421 -15.289 7.106 1.00 0.00 N ATOM 1827 CA GLY A 138 -4.330 -16.333 6.541 1.00 0.00 C ATOM 1828 C GLY A 138 -5.561 -16.845 7.344 1.00 0.00 C ATOM 1829 O GLY A 138 -6.408 -17.488 6.720 1.00 0.00 O ATOM 0 H GLY A 138 -3.616 -14.345 6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.705 -15.950 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.714 -17.203 6.312 1.00 0.00 H new