USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 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 11 MET CE :methyl 175:sc= -0.672 (180deg=-0.808) USER MOD Set 1.2: A 36 CYS SG : rot -130:sc= -2.23 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.038) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 42:sc= 0.409 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= -0.0345 (180deg=-0.541) USER MOD Single : A 58 ASN : amide:sc= -0.369 K(o=-0.37,f=-4.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 80:sc= -1.55 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= -0.0474 (180deg=-0.0474) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 7.070 -10.456 2.488 1.00 0.00 N ATOM 109 CA MET A 11 7.166 -9.555 1.344 1.00 0.00 C ATOM 110 C MET A 11 7.897 -8.270 1.722 1.00 0.00 C ATOM 111 O MET A 11 8.943 -7.950 1.156 1.00 0.00 O ATOM 112 CB MET A 11 5.771 -9.223 0.812 1.00 0.00 C ATOM 113 CG MET A 11 5.120 -10.369 0.054 1.00 0.00 C ATOM 114 SD MET A 11 3.344 -10.143 -0.155 1.00 0.00 S ATOM 115 CE MET A 11 3.293 -8.504 -0.874 1.00 0.00 C ATOM 0 HA MET A 11 7.735 -10.059 0.563 1.00 0.00 H new ATOM 0 HB2 MET A 11 5.130 -8.941 1.647 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.839 -8.356 0.155 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.588 -10.464 -0.926 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.303 -11.302 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.266 -8.257 -1.144 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.663 -7.778 -0.150 1.00 0.00 H new ATOM 0 HE3 MET A 11 3.919 -8.478 -1.766 1.00 0.00 H new ATOM 125 N LEU A 12 7.341 -7.539 2.681 1.00 0.00 N ATOM 126 CA LEU A 12 7.939 -6.289 3.134 1.00 0.00 C ATOM 127 C LEU A 12 9.245 -6.548 3.880 1.00 0.00 C ATOM 128 O LEU A 12 10.153 -5.717 3.871 1.00 0.00 O ATOM 129 CB LEU A 12 6.965 -5.530 4.038 1.00 0.00 C ATOM 130 CG LEU A 12 5.658 -5.103 3.368 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.636 -4.682 4.412 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.910 -3.976 2.379 1.00 0.00 C ATOM 0 H LEU A 12 6.476 -7.791 3.160 1.00 0.00 H new ATOM 0 HA LEU A 12 8.157 -5.682 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.727 -6.157 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.466 -4.641 4.421 1.00 0.00 H new ATOM 0 HG LEU A 12 5.256 -5.956 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.713 -4.382 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.433 -5.518 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.028 -3.844 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.969 -3.685 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.335 -3.120 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.607 -4.314 1.612 1.00 0.00 H new ATOM 144 N SER A 13 9.333 -7.707 4.527 1.00 0.00 N ATOM 145 CA SER A 13 10.528 -8.075 5.279 1.00 0.00 C ATOM 146 C SER A 13 11.758 -8.082 4.378 1.00 0.00 C ATOM 147 O SER A 13 12.792 -7.507 4.719 1.00 0.00 O ATOM 148 CB SER A 13 10.345 -9.450 5.924 1.00 0.00 C ATOM 149 OG SER A 13 11.292 -9.658 6.958 1.00 0.00 O ATOM 0 H SER A 13 8.591 -8.407 4.545 1.00 0.00 H new ATOM 0 HA SER A 13 10.679 -7.331 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.336 -9.534 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.451 -10.227 5.167 1.00 0.00 H new ATOM 0 HG SER A 13 11.153 -10.543 7.356 1.00 0.00 H new ATOM 155 N ALA A 14 11.642 -8.738 3.229 1.00 0.00 N ATOM 156 CA ALA A 14 12.746 -8.820 2.280 1.00 0.00 C ATOM 157 C ALA A 14 13.001 -7.472 1.616 1.00 0.00 C ATOM 158 O ALA A 14 14.147 -7.046 1.473 1.00 0.00 O ATOM 159 CB ALA A 14 12.460 -9.882 1.230 1.00 0.00 C ATOM 0 H ALA A 14 10.794 -9.221 2.932 1.00 0.00 H new ATOM 0 HA ALA A 14 13.645 -9.100 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.292 -9.933 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.336 -10.850 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.547 -9.626 0.693 1.00 0.00 H new ATOM 165 N LEU A 15 11.926 -6.804 1.210 1.00 0.00 N ATOM 166 CA LEU A 15 12.033 -5.504 0.560 1.00 0.00 C ATOM 167 C LEU A 15 12.608 -4.463 1.516 1.00 0.00 C ATOM 168 O LEU A 15 13.293 -3.530 1.095 1.00 0.00 O ATOM 169 CB LEU A 15 10.663 -5.047 0.055 1.00 0.00 C ATOM 170 CG LEU A 15 9.997 -5.988 -0.950 1.00 0.00 C ATOM 171 CD1 LEU A 15 8.501 -5.725 -1.018 1.00 0.00 C ATOM 172 CD2 LEU A 15 10.630 -5.833 -2.324 1.00 0.00 C ATOM 0 H LEU A 15 10.970 -7.143 1.320 1.00 0.00 H new ATOM 0 HA LEU A 15 12.710 -5.606 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.999 -4.925 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.772 -4.065 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 15 10.149 -7.014 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.045 -6.404 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.058 -5.887 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.326 -4.695 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.144 -6.510 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.508 -4.805 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.692 -6.072 -2.265 1.00 0.00 H new ATOM 184 N GLY A 16 12.325 -4.629 2.803 1.00 0.00 N ATOM 185 CA GLY A 16 12.821 -3.698 3.798 1.00 0.00 C ATOM 186 C GLY A 16 11.836 -2.583 4.091 1.00 0.00 C ATOM 187 O GLY A 16 12.232 -1.472 4.445 1.00 0.00 O ATOM 0 H GLY A 16 11.760 -5.393 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.039 -4.238 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.760 -3.267 3.452 1.00 0.00 H new ATOM 191 N LEU A 17 10.549 -2.880 3.943 1.00 0.00 N ATOM 192 CA LEU A 17 9.503 -1.895 4.192 1.00 0.00 C ATOM 193 C LEU A 17 8.661 -2.289 5.400 1.00 0.00 C ATOM 194 O LEU A 17 8.695 -3.437 5.845 1.00 0.00 O ATOM 195 CB LEU A 17 8.609 -1.748 2.959 1.00 0.00 C ATOM 196 CG LEU A 17 7.690 -0.525 2.967 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.493 0.746 3.198 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.912 -0.435 1.662 1.00 0.00 C ATOM 0 H LEU A 17 10.205 -3.795 3.652 1.00 0.00 H new ATOM 0 HA LEU A 17 9.982 -0.939 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.243 -1.701 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.995 -2.644 2.865 1.00 0.00 H new ATOM 0 HG LEU A 17 6.979 -0.635 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.822 1.605 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.005 0.683 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.228 0.862 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.263 0.441 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.609 -0.349 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.306 -1.332 1.537 1.00 0.00 H new ATOM 210 N ARG A 18 7.905 -1.331 5.928 1.00 0.00 N ATOM 211 CA ARG A 18 7.053 -1.578 7.085 1.00 0.00 C ATOM 212 C ARG A 18 5.594 -1.273 6.761 1.00 0.00 C ATOM 213 O ARG A 18 5.289 -0.671 5.731 1.00 0.00 O ATOM 214 CB ARG A 18 7.512 -0.729 8.272 1.00 0.00 C ATOM 215 CG ARG A 18 8.891 -1.105 8.791 1.00 0.00 C ATOM 216 CD ARG A 18 8.976 -0.956 10.302 1.00 0.00 C ATOM 217 NE ARG A 18 10.003 -1.820 10.879 1.00 0.00 N ATOM 218 CZ ARG A 18 11.304 -1.541 10.859 1.00 0.00 C ATOM 219 NH1 ARG A 18 11.742 -0.424 10.293 1.00 0.00 N ATOM 220 NH2 ARG A 18 12.170 -2.382 11.408 1.00 0.00 N ATOM 0 H ARG A 18 7.866 -0.376 5.572 1.00 0.00 H new ATOM 0 HA ARG A 18 7.135 -2.633 7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.517 0.320 7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.789 -0.829 9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.118 -2.134 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.644 -0.473 8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.193 0.082 10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.009 -1.196 10.745 1.00 0.00 H new ATOM 0 HE ARG A 18 9.705 -2.688 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.080 0.227 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.740 -0.216 10.281 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.839 -3.242 11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.167 -2.169 11.393 1.00 0.00 H new ATOM 234 N LEU A 19 4.696 -1.692 7.646 1.00 0.00 N ATOM 235 CA LEU A 19 3.268 -1.464 7.453 1.00 0.00 C ATOM 236 C LEU A 19 2.825 -0.176 8.139 1.00 0.00 C ATOM 237 O LEU A 19 3.299 0.156 9.226 1.00 0.00 O ATOM 238 CB LEU A 19 2.464 -2.647 7.995 1.00 0.00 C ATOM 239 CG LEU A 19 2.420 -3.872 7.081 1.00 0.00 C ATOM 240 CD1 LEU A 19 2.278 -5.145 7.901 1.00 0.00 C ATOM 241 CD2 LEU A 19 1.281 -3.749 6.080 1.00 0.00 C ATOM 0 H LEU A 19 4.931 -2.191 8.504 1.00 0.00 H new ATOM 0 HA LEU A 19 3.082 -1.367 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.886 -2.944 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.443 -2.317 8.184 1.00 0.00 H new ATOM 0 HG LEU A 19 3.358 -3.924 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.248 -6.006 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.128 -5.239 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.356 -5.103 8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.265 -4.629 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.334 -3.672 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.427 -2.858 5.470 1.00 0.00 H new ATOM 253 N GLY A 20 1.914 0.548 7.496 1.00 0.00 N ATOM 254 CA GLY A 20 1.423 1.792 8.058 1.00 0.00 C ATOM 255 C GLY A 20 2.144 3.004 7.502 1.00 0.00 C ATOM 256 O GLY A 20 1.577 4.095 7.434 1.00 0.00 O ATOM 0 H GLY A 20 1.507 0.295 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.356 1.883 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.540 1.769 9.141 1.00 0.00 H new ATOM 260 N ASP A 21 3.397 2.813 7.104 1.00 0.00 N ATOM 261 CA ASP A 21 4.197 3.900 6.551 1.00 0.00 C ATOM 262 C ASP A 21 3.635 4.363 5.211 1.00 0.00 C ATOM 263 O ASP A 21 2.632 3.834 4.731 1.00 0.00 O ATOM 264 CB ASP A 21 5.652 3.454 6.385 1.00 0.00 C ATOM 265 CG ASP A 21 6.633 4.449 6.972 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.685 5.595 6.477 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.348 4.084 7.929 1.00 0.00 O ATOM 0 H ASP A 21 3.881 1.916 7.154 1.00 0.00 H new ATOM 0 HA ASP A 21 4.159 4.738 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.789 2.486 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.868 3.317 5.326 1.00 0.00 H new ATOM 272 N ARG A 22 4.287 5.354 4.613 1.00 0.00 N ATOM 273 CA ARG A 22 3.851 5.889 3.327 1.00 0.00 C ATOM 274 C ARG A 22 4.615 5.235 2.180 1.00 0.00 C ATOM 275 O ARG A 22 5.713 4.711 2.369 1.00 0.00 O ATOM 276 CB ARG A 22 4.047 7.407 3.291 1.00 0.00 C ATOM 277 CG ARG A 22 2.747 8.185 3.164 1.00 0.00 C ATOM 278 CD ARG A 22 2.979 9.684 3.268 1.00 0.00 C ATOM 279 NE ARG A 22 2.063 10.315 4.214 1.00 0.00 N ATOM 280 CZ ARG A 22 0.793 10.603 3.938 1.00 0.00 C ATOM 281 NH1 ARG A 22 0.286 10.319 2.744 1.00 0.00 N ATOM 282 NH2 ARG A 22 0.029 11.176 4.857 1.00 0.00 N ATOM 0 H ARG A 22 5.118 5.803 4.997 1.00 0.00 H new ATOM 0 HA ARG A 22 2.791 5.665 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.561 7.720 4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.696 7.661 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.276 7.955 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.055 7.868 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.007 9.871 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.855 10.139 2.285 1.00 0.00 H new ATOM 0 HE ARG A 22 2.417 10.549 5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.870 9.878 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.688 10.542 2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.414 11.396 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.944 11.397 4.646 1.00 0.00 H new ATOM 296 N VAL A 23 4.026 5.268 0.988 1.00 0.00 N ATOM 297 CA VAL A 23 4.650 4.679 -0.190 1.00 0.00 C ATOM 298 C VAL A 23 4.478 5.578 -1.409 1.00 0.00 C ATOM 299 O VAL A 23 3.644 6.484 -1.412 1.00 0.00 O ATOM 300 CB VAL A 23 4.061 3.291 -0.503 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.464 2.286 0.565 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.547 3.369 -0.628 1.00 0.00 C ATOM 0 H VAL A 23 3.117 5.697 0.814 1.00 0.00 H new ATOM 0 HA VAL A 23 5.711 4.573 0.034 1.00 0.00 H new ATOM 0 HB VAL A 23 4.464 2.953 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.038 1.311 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.551 2.209 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.092 2.617 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.149 2.379 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.123 3.730 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.283 4.054 -1.433 1.00 0.00 H new ATOM 312 N LEU A 24 5.271 5.323 -2.444 1.00 0.00 N ATOM 313 CA LEU A 24 5.206 6.109 -3.671 1.00 0.00 C ATOM 314 C LEU A 24 4.731 5.256 -4.842 1.00 0.00 C ATOM 315 O LEU A 24 5.387 4.287 -5.222 1.00 0.00 O ATOM 316 CB LEU A 24 6.575 6.714 -3.988 1.00 0.00 C ATOM 317 CG LEU A 24 6.539 8.103 -4.628 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.951 9.120 -3.662 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.933 8.523 -5.066 1.00 0.00 C ATOM 0 H LEU A 24 5.967 4.577 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 24 4.487 6.914 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.152 6.771 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.108 6.037 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 24 5.901 8.060 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.933 10.102 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.935 8.826 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.563 9.162 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.889 9.513 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.594 8.549 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.317 7.808 -5.794 1.00 0.00 H new ATOM 331 N LEU A 25 3.586 5.622 -5.408 1.00 0.00 N ATOM 332 CA LEU A 25 3.022 4.889 -6.536 1.00 0.00 C ATOM 333 C LEU A 25 3.410 5.544 -7.858 1.00 0.00 C ATOM 334 O LEU A 25 3.258 6.753 -8.032 1.00 0.00 O ATOM 335 CB LEU A 25 1.499 4.819 -6.416 1.00 0.00 C ATOM 336 CG LEU A 25 0.978 4.302 -5.074 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.543 4.320 -5.049 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.500 2.899 -4.805 1.00 0.00 C ATOM 0 H LEU A 25 3.030 6.422 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 25 3.427 3.877 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.090 5.815 -6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.117 4.176 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 25 1.342 4.962 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.895 3.949 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.897 5.340 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.928 3.684 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.120 2.547 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.166 2.228 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.590 2.915 -4.779 1.00 0.00 H new ATOM 350 N ASP A 26 3.910 4.736 -8.788 1.00 0.00 N ATOM 351 CA ASP A 26 4.319 5.235 -10.096 1.00 0.00 C ATOM 352 C ASP A 26 5.431 6.273 -9.963 1.00 0.00 C ATOM 353 O ASP A 26 5.595 7.133 -10.827 1.00 0.00 O ATOM 354 CB ASP A 26 3.122 5.844 -10.830 1.00 0.00 C ATOM 355 CG ASP A 26 3.411 6.095 -12.296 1.00 0.00 C ATOM 356 OD1 ASP A 26 3.391 5.123 -13.081 1.00 0.00 O ATOM 357 OD2 ASP A 26 3.657 7.264 -12.663 1.00 0.00 O ATOM 0 H ASP A 26 4.042 3.733 -8.660 1.00 0.00 H new ATOM 0 HA ASP A 26 4.702 4.393 -10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.266 5.176 -10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.845 6.783 -10.351 1.00 0.00 H new ATOM 362 N GLY A 27 6.193 6.185 -8.876 1.00 0.00 N ATOM 363 CA GLY A 27 7.279 7.122 -8.653 1.00 0.00 C ATOM 364 C GLY A 27 6.820 8.567 -8.683 1.00 0.00 C ATOM 365 O GLY A 27 7.451 9.413 -9.316 1.00 0.00 O ATOM 0 H GLY A 27 6.077 5.482 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.742 6.912 -7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.045 6.972 -9.414 1.00 0.00 H new ATOM 369 N GLN A 28 5.717 8.851 -7.996 1.00 0.00 N ATOM 370 CA GLN A 28 5.175 10.204 -7.946 1.00 0.00 C ATOM 371 C GLN A 28 4.053 10.304 -6.919 1.00 0.00 C ATOM 372 O GLN A 28 4.174 11.014 -5.920 1.00 0.00 O ATOM 373 CB GLN A 28 4.658 10.619 -9.326 1.00 0.00 C ATOM 374 CG GLN A 28 4.414 12.113 -9.460 1.00 0.00 C ATOM 375 CD GLN A 28 4.803 12.647 -10.825 1.00 0.00 C ATOM 376 OE1 GLN A 28 4.001 13.286 -11.505 1.00 0.00 O ATOM 377 NE2 GLN A 28 6.039 12.387 -11.231 1.00 0.00 N ATOM 0 H GLN A 28 5.182 8.162 -7.467 1.00 0.00 H new ATOM 0 HA GLN A 28 5.977 10.879 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.378 10.307 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.729 10.088 -9.532 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.360 12.323 -9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.981 12.640 -8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.670 11.853 -10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.358 12.721 -12.140 1.00 0.00 H new ATOM 386 N LYS A 29 2.960 9.590 -7.171 1.00 0.00 N ATOM 387 CA LYS A 29 1.816 9.600 -6.267 1.00 0.00 C ATOM 388 C LYS A 29 2.212 9.102 -4.881 1.00 0.00 C ATOM 389 O LYS A 29 3.121 8.283 -4.741 1.00 0.00 O ATOM 390 CB LYS A 29 0.688 8.732 -6.830 1.00 0.00 C ATOM 391 CG LYS A 29 0.065 9.290 -8.099 1.00 0.00 C ATOM 392 CD LYS A 29 0.504 8.509 -9.327 1.00 0.00 C ATOM 393 CE LYS A 29 0.065 9.195 -10.611 1.00 0.00 C ATOM 394 NZ LYS A 29 -1.307 8.784 -11.018 1.00 0.00 N ATOM 0 H LYS A 29 2.843 8.998 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 29 1.465 10.628 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.076 7.734 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.088 8.623 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.021 9.259 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.346 10.337 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.589 8.402 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.085 7.504 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.095 10.276 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.768 8.956 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.569 9.273 -11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.330 7.756 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.982 9.035 -10.267 1.00 0.00 H new ATOM 408 N THR A 30 1.527 9.605 -3.859 1.00 0.00 N ATOM 409 CA THR A 30 1.807 9.213 -2.483 1.00 0.00 C ATOM 410 C THR A 30 0.607 8.505 -1.864 1.00 0.00 C ATOM 411 O THR A 30 -0.529 8.963 -1.991 1.00 0.00 O ATOM 412 CB THR A 30 2.177 10.439 -1.647 1.00 0.00 C ATOM 413 OG1 THR A 30 1.114 11.376 -1.635 1.00 0.00 O ATOM 414 CG2 THR A 30 3.413 11.154 -2.147 1.00 0.00 C ATOM 0 H THR A 30 0.774 10.285 -3.958 1.00 0.00 H new ATOM 0 HA THR A 30 2.649 8.521 -2.493 1.00 0.00 H new ATOM 0 HB THR A 30 2.379 10.056 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.368 12.152 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.619 12.014 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.263 10.472 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.249 11.492 -3.170 1.00 0.00 H new ATOM 422 N GLY A 31 0.865 7.387 -1.194 1.00 0.00 N ATOM 423 CA GLY A 31 -0.205 6.635 -0.565 1.00 0.00 C ATOM 424 C GLY A 31 0.184 6.105 0.801 1.00 0.00 C ATOM 425 O GLY A 31 1.346 6.187 1.199 1.00 0.00 O ATOM 0 H GLY A 31 1.796 6.988 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.084 7.272 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.486 5.801 -1.208 1.00 0.00 H new ATOM 429 N THR A 32 -0.791 5.558 1.520 1.00 0.00 N ATOM 430 CA THR A 32 -0.545 5.011 2.850 1.00 0.00 C ATOM 431 C THR A 32 -0.827 3.513 2.884 1.00 0.00 C ATOM 432 O THR A 32 -1.945 3.075 2.608 1.00 0.00 O ATOM 433 CB THR A 32 -1.411 5.728 3.887 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.509 7.109 3.589 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.885 5.598 5.300 1.00 0.00 C ATOM 0 H THR A 32 -1.758 5.482 1.205 1.00 0.00 H new ATOM 0 HA THR A 32 0.506 5.170 3.091 1.00 0.00 H new ATOM 0 HB THR A 32 -2.386 5.243 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.068 7.550 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.546 6.129 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.845 4.545 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.116 6.026 5.357 1.00 0.00 H new ATOM 443 N LEU A 33 0.192 2.731 3.225 1.00 0.00 N ATOM 444 CA LEU A 33 0.052 1.281 3.295 1.00 0.00 C ATOM 445 C LEU A 33 -0.710 0.868 4.549 1.00 0.00 C ATOM 446 O LEU A 33 -0.515 1.439 5.622 1.00 0.00 O ATOM 447 CB LEU A 33 1.429 0.613 3.277 1.00 0.00 C ATOM 448 CG LEU A 33 1.416 -0.891 3.000 1.00 0.00 C ATOM 449 CD1 LEU A 33 0.965 -1.168 1.574 1.00 0.00 C ATOM 450 CD2 LEU A 33 2.792 -1.490 3.252 1.00 0.00 C ATOM 0 H LEU A 33 1.123 3.077 3.457 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.514 0.953 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.043 1.101 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.912 0.786 4.239 1.00 0.00 H new ATOM 0 HG LEU A 33 0.706 -1.361 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.962 -2.243 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.040 -0.773 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.650 -0.686 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.765 -2.561 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.521 -1.015 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.077 -1.324 4.291 1.00 0.00 H new ATOM 462 N ARG A 34 -1.581 -0.125 4.407 1.00 0.00 N ATOM 463 CA ARG A 34 -2.373 -0.614 5.529 1.00 0.00 C ATOM 464 C ARG A 34 -2.355 -2.138 5.585 1.00 0.00 C ATOM 465 O ARG A 34 -2.150 -2.728 6.647 1.00 0.00 O ATOM 466 CB ARG A 34 -3.814 -0.113 5.419 1.00 0.00 C ATOM 467 CG ARG A 34 -3.921 1.360 5.060 1.00 0.00 C ATOM 468 CD ARG A 34 -5.112 2.014 5.741 1.00 0.00 C ATOM 469 NE ARG A 34 -4.960 2.054 7.194 1.00 0.00 N ATOM 470 CZ ARG A 34 -5.655 2.861 7.991 1.00 0.00 C ATOM 471 NH1 ARG A 34 -6.553 3.697 7.481 1.00 0.00 N ATOM 472 NH2 ARG A 34 -5.454 2.833 9.301 1.00 0.00 N ATOM 0 H ARG A 34 -1.756 -0.607 3.525 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.931 -0.230 6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.338 -0.701 4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.323 -0.285 6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.006 1.874 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.015 1.466 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.234 3.028 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.020 1.467 5.487 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.280 1.426 7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.712 3.722 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.083 4.314 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.766 2.193 9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.987 3.452 9.912 1.00 0.00 H new ATOM 486 N PHE A 35 -2.571 -2.770 4.437 1.00 0.00 N ATOM 487 CA PHE A 35 -2.581 -4.226 4.356 1.00 0.00 C ATOM 488 C PHE A 35 -1.440 -4.729 3.476 1.00 0.00 C ATOM 489 O PHE A 35 -0.890 -3.982 2.666 1.00 0.00 O ATOM 490 CB PHE A 35 -3.920 -4.718 3.804 1.00 0.00 C ATOM 491 CG PHE A 35 -4.025 -6.215 3.729 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.594 -6.897 2.602 1.00 0.00 C ATOM 493 CD2 PHE A 35 -4.555 -6.940 4.785 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.690 -8.273 2.529 1.00 0.00 C ATOM 495 CE2 PHE A 35 -4.652 -8.317 4.717 1.00 0.00 C ATOM 496 CZ PHE A 35 -4.219 -8.984 3.588 1.00 0.00 C ATOM 0 H PHE A 35 -2.742 -2.297 3.550 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.443 -4.622 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.725 -4.337 4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.068 -4.301 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.178 -6.346 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.896 -6.423 5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.352 -8.792 1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.066 -8.871 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.294 -10.060 3.533 1.00 0.00 H new ATOM 506 N CYS A 36 -1.090 -6.001 3.642 1.00 0.00 N ATOM 507 CA CYS A 36 -0.015 -6.606 2.863 1.00 0.00 C ATOM 508 C CYS A 36 -0.129 -8.126 2.868 1.00 0.00 C ATOM 509 O CYS A 36 -0.697 -8.713 3.788 1.00 0.00 O ATOM 510 CB CYS A 36 1.345 -6.182 3.418 1.00 0.00 C ATOM 511 SG CYS A 36 2.756 -6.851 2.504 1.00 0.00 S ATOM 0 H CYS A 36 -1.535 -6.632 4.308 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.104 -6.257 1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.405 -5.094 3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.416 -6.499 4.458 1.00 0.00 H new ATOM 0 HG CYS A 36 3.595 -7.393 3.336 1.00 0.00 H new ATOM 517 N GLY A 37 0.414 -8.758 1.832 1.00 0.00 N ATOM 518 CA GLY A 37 0.362 -10.205 1.735 1.00 0.00 C ATOM 519 C GLY A 37 -0.479 -10.678 0.566 1.00 0.00 C ATOM 520 O GLY A 37 -0.622 -9.970 -0.430 1.00 0.00 O ATOM 0 H GLY A 37 0.889 -8.294 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.374 -10.596 1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.045 -10.614 2.660 1.00 0.00 H new ATOM 524 N THR A 38 -1.035 -11.880 0.687 1.00 0.00 N ATOM 525 CA THR A 38 -1.865 -12.446 -0.369 1.00 0.00 C ATOM 526 C THR A 38 -3.332 -12.079 -0.165 1.00 0.00 C ATOM 527 O THR A 38 -3.779 -11.871 0.963 1.00 0.00 O ATOM 528 CB THR A 38 -1.710 -13.967 -0.408 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.168 -14.549 0.799 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.281 -14.418 -0.623 1.00 0.00 C ATOM 0 H THR A 38 -0.925 -12.479 1.505 1.00 0.00 H new ATOM 0 HA THR A 38 -1.533 -12.029 -1.320 1.00 0.00 H new ATOM 0 HB THR A 38 -2.309 -14.297 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.062 -15.522 0.754 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.242 -15.507 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.085 -14.027 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.344 -14.045 0.188 1.00 0.00 H new ATOM 538 N THR A 39 -4.075 -12.001 -1.264 1.00 0.00 N ATOM 539 CA THR A 39 -5.491 -11.659 -1.206 1.00 0.00 C ATOM 540 C THR A 39 -6.356 -12.914 -1.288 1.00 0.00 C ATOM 541 O THR A 39 -5.842 -14.029 -1.361 1.00 0.00 O ATOM 542 CB THR A 39 -5.853 -10.702 -2.342 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.127 -11.021 -3.517 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.577 -9.250 -2.013 1.00 0.00 C ATOM 0 H THR A 39 -3.720 -12.170 -2.205 1.00 0.00 H new ATOM 0 HA THR A 39 -5.682 -11.168 -0.252 1.00 0.00 H new ATOM 0 HB THR A 39 -6.925 -10.826 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.111 -11.993 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.856 -8.625 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.160 -8.958 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.516 -9.120 -1.801 1.00 0.00 H new ATOM 552 N GLU A 40 -7.671 -12.722 -1.275 1.00 0.00 N ATOM 553 CA GLU A 40 -8.606 -13.839 -1.349 1.00 0.00 C ATOM 554 C GLU A 40 -8.996 -14.127 -2.794 1.00 0.00 C ATOM 555 O GLU A 40 -8.818 -15.242 -3.286 1.00 0.00 O ATOM 556 CB GLU A 40 -9.857 -13.539 -0.520 1.00 0.00 C ATOM 557 CG GLU A 40 -9.594 -13.476 0.976 1.00 0.00 C ATOM 558 CD GLU A 40 -9.950 -14.768 1.685 1.00 0.00 C ATOM 559 OE1 GLU A 40 -11.131 -15.169 1.633 1.00 0.00 O ATOM 560 OE2 GLU A 40 -9.045 -15.380 2.292 1.00 0.00 O ATOM 0 H GLU A 40 -8.113 -11.805 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.112 -14.722 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.280 -12.589 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.606 -14.306 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.541 -13.250 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.170 -12.658 1.408 1.00 0.00 H new ATOM 567 N PHE A 41 -9.528 -13.115 -3.471 1.00 0.00 N ATOM 568 CA PHE A 41 -9.943 -13.259 -4.862 1.00 0.00 C ATOM 569 C PHE A 41 -8.763 -13.649 -5.746 1.00 0.00 C ATOM 570 O PHE A 41 -8.931 -14.334 -6.755 1.00 0.00 O ATOM 571 CB PHE A 41 -10.566 -11.956 -5.368 1.00 0.00 C ATOM 572 CG PHE A 41 -9.772 -10.733 -5.007 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.553 -10.478 -5.616 1.00 0.00 C ATOM 574 CD2 PHE A 41 -10.243 -9.839 -4.060 1.00 0.00 C ATOM 575 CE1 PHE A 41 -7.820 -9.354 -5.286 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.514 -8.713 -3.726 1.00 0.00 C ATOM 577 CZ PHE A 41 -8.301 -8.470 -4.340 1.00 0.00 C ATOM 0 H PHE A 41 -9.682 -12.186 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.688 -14.053 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.666 -12.007 -6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.572 -11.860 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.172 -11.166 -6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -11.191 -10.024 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.872 -9.167 -5.768 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.893 -8.024 -2.986 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.730 -7.591 -4.081 1.00 0.00 H new ATOM 587 N ALA A 42 -7.570 -13.209 -5.359 1.00 0.00 N ATOM 588 CA ALA A 42 -6.362 -13.512 -6.117 1.00 0.00 C ATOM 589 C ALA A 42 -5.241 -13.980 -5.197 1.00 0.00 C ATOM 590 O ALA A 42 -5.380 -13.963 -3.974 1.00 0.00 O ATOM 591 CB ALA A 42 -5.919 -12.294 -6.914 1.00 0.00 C ATOM 0 H ALA A 42 -7.414 -12.642 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.591 -14.322 -6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.016 -12.535 -7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.710 -12.005 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.713 -11.468 -6.233 1.00 0.00 H new ATOM 597 N SER A 43 -4.129 -14.399 -5.792 1.00 0.00 N ATOM 598 CA SER A 43 -2.983 -14.873 -5.024 1.00 0.00 C ATOM 599 C SER A 43 -1.687 -14.266 -5.552 1.00 0.00 C ATOM 600 O SER A 43 -1.571 -13.959 -6.738 1.00 0.00 O ATOM 601 CB SER A 43 -2.903 -16.400 -5.077 1.00 0.00 C ATOM 602 OG SER A 43 -2.381 -16.925 -3.869 1.00 0.00 O ATOM 0 H SER A 43 -3.997 -14.420 -6.803 1.00 0.00 H new ATOM 0 HA SER A 43 -3.116 -14.559 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.895 -16.813 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.273 -16.706 -5.912 1.00 0.00 H new ATOM 0 HG SER A 43 -2.341 -17.902 -3.927 1.00 0.00 H new ATOM 608 N GLY A 44 -0.714 -14.096 -4.661 1.00 0.00 N ATOM 609 CA GLY A 44 0.561 -13.527 -5.056 1.00 0.00 C ATOM 610 C GLY A 44 1.000 -12.399 -4.143 1.00 0.00 C ATOM 611 O GLY A 44 0.773 -12.446 -2.934 1.00 0.00 O ATOM 0 H GLY A 44 -0.786 -14.342 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.321 -14.309 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.489 -13.156 -6.078 1.00 0.00 H new ATOM 615 N GLN A 45 1.632 -11.384 -4.722 1.00 0.00 N ATOM 616 CA GLN A 45 2.105 -10.239 -3.952 1.00 0.00 C ATOM 617 C GLN A 45 1.169 -9.047 -4.121 1.00 0.00 C ATOM 618 O GLN A 45 1.085 -8.458 -5.198 1.00 0.00 O ATOM 619 CB GLN A 45 3.521 -9.856 -4.386 1.00 0.00 C ATOM 620 CG GLN A 45 4.609 -10.638 -3.669 1.00 0.00 C ATOM 621 CD GLN A 45 4.548 -12.125 -3.964 1.00 0.00 C ATOM 622 OE1 GLN A 45 4.962 -12.576 -5.032 1.00 0.00 O ATOM 623 NE2 GLN A 45 4.030 -12.895 -3.013 1.00 0.00 N ATOM 0 H GLN A 45 1.829 -11.331 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 45 2.119 -10.521 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.618 -10.015 -5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.672 -8.792 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.584 -10.252 -3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.517 -10.480 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.699 -12.478 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.963 -13.903 -3.153 1.00 0.00 H new ATOM 632 N TRP A 46 0.467 -8.696 -3.048 1.00 0.00 N ATOM 633 CA TRP A 46 -0.465 -7.574 -3.077 1.00 0.00 C ATOM 634 C TRP A 46 -0.313 -6.708 -1.831 1.00 0.00 C ATOM 635 O TRP A 46 0.043 -7.201 -0.759 1.00 0.00 O ATOM 636 CB TRP A 46 -1.904 -8.082 -3.187 1.00 0.00 C ATOM 637 CG TRP A 46 -2.234 -8.642 -4.537 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.281 -9.960 -4.889 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.563 -7.900 -5.716 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.619 -10.082 -6.216 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.797 -8.831 -6.744 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.682 -6.536 -6.003 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.144 -8.444 -8.037 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.026 -6.153 -7.286 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.253 -7.103 -8.289 1.00 0.00 C ATOM 0 H TRP A 46 0.526 -9.172 -2.148 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.234 -6.965 -3.951 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.069 -8.851 -2.432 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.589 -7.264 -2.964 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.082 -10.786 -4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.721 -10.961 -6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.508 -5.796 -5.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.320 -9.175 -8.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.121 -5.103 -7.519 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.519 -6.771 -9.282 1.00 0.00 H new ATOM 656 N VAL A 47 -0.585 -5.416 -1.978 1.00 0.00 N ATOM 657 CA VAL A 47 -0.478 -4.481 -0.864 1.00 0.00 C ATOM 658 C VAL A 47 -1.510 -3.365 -0.982 1.00 0.00 C ATOM 659 O VAL A 47 -1.602 -2.697 -2.012 1.00 0.00 O ATOM 660 CB VAL A 47 0.927 -3.858 -0.786 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.942 -4.885 -0.311 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.331 -3.282 -2.136 1.00 0.00 C ATOM 0 H VAL A 47 -0.881 -4.992 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.665 -5.051 0.046 1.00 0.00 H new ATOM 0 HB VAL A 47 0.904 -3.044 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.929 -4.425 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.660 -5.245 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.966 -5.723 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.327 -2.846 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.337 -4.076 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.618 -2.512 -2.431 1.00 0.00 H new ATOM 672 N GLY A 48 -2.286 -3.169 0.079 1.00 0.00 N ATOM 673 CA GLY A 48 -3.301 -2.132 0.074 1.00 0.00 C ATOM 674 C GLY A 48 -2.738 -0.767 0.421 1.00 0.00 C ATOM 675 O GLY A 48 -2.139 -0.587 1.481 1.00 0.00 O ATOM 0 H GLY A 48 -2.230 -3.710 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.768 -2.090 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.084 -2.391 0.787 1.00 0.00 H new ATOM 679 N VAL A 49 -2.932 0.196 -0.474 1.00 0.00 N ATOM 680 CA VAL A 49 -2.439 1.550 -0.257 1.00 0.00 C ATOM 681 C VAL A 49 -3.555 2.574 -0.438 1.00 0.00 C ATOM 682 O VAL A 49 -4.364 2.469 -1.360 1.00 0.00 O ATOM 683 CB VAL A 49 -1.284 1.890 -1.219 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.681 3.244 -0.876 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.221 0.801 -1.185 1.00 0.00 C ATOM 0 H VAL A 49 -3.427 0.063 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.071 1.593 0.768 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.685 1.943 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.133 3.465 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.447 4.015 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.296 3.223 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.586 1.059 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.176 0.712 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.663 -0.149 -1.486 1.00 0.00 H new ATOM 695 N GLU A 50 -3.591 3.565 0.448 1.00 0.00 N ATOM 696 CA GLU A 50 -4.607 4.609 0.386 1.00 0.00 C ATOM 697 C GLU A 50 -4.067 5.854 -0.308 1.00 0.00 C ATOM 698 O GLU A 50 -3.104 6.467 0.155 1.00 0.00 O ATOM 699 CB GLU A 50 -5.088 4.964 1.794 1.00 0.00 C ATOM 700 CG GLU A 50 -6.536 5.423 1.844 1.00 0.00 C ATOM 701 CD GLU A 50 -6.769 6.504 2.881 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.506 6.250 4.075 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.214 7.606 2.498 1.00 0.00 O ATOM 0 H GLU A 50 -2.928 3.666 1.217 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.448 4.229 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.969 4.094 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.452 5.751 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.829 5.797 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.177 4.569 2.064 1.00 0.00 H new ATOM 710 N LEU A 51 -4.690 6.222 -1.423 1.00 0.00 N ATOM 711 CA LEU A 51 -4.271 7.396 -2.181 1.00 0.00 C ATOM 712 C LEU A 51 -4.632 8.679 -1.440 1.00 0.00 C ATOM 713 O LEU A 51 -5.782 8.878 -1.048 1.00 0.00 O ATOM 714 CB LEU A 51 -4.920 7.391 -3.566 1.00 0.00 C ATOM 715 CG LEU A 51 -4.577 6.185 -4.441 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.291 6.275 -5.780 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.072 6.086 -4.641 1.00 0.00 C ATOM 0 H LEU A 51 -5.486 5.725 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.188 7.358 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.002 7.434 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.623 8.298 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.917 5.282 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.034 5.408 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.369 6.298 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.983 7.184 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.844 5.223 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.709 6.992 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.583 5.973 -3.673 1.00 0.00 H new ATOM 729 N ASP A 52 -3.644 9.547 -1.253 1.00 0.00 N ATOM 730 CA ASP A 52 -3.858 10.812 -0.559 1.00 0.00 C ATOM 731 C ASP A 52 -4.756 11.734 -1.376 1.00 0.00 C ATOM 732 O ASP A 52 -5.548 12.497 -0.822 1.00 0.00 O ATOM 733 CB ASP A 52 -2.520 11.499 -0.282 1.00 0.00 C ATOM 734 CG ASP A 52 -2.558 12.357 0.968 1.00 0.00 C ATOM 735 OD1 ASP A 52 -3.276 13.380 0.962 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.874 12.006 1.950 1.00 0.00 O ATOM 0 H ASP A 52 -2.687 9.398 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.352 10.599 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.742 10.743 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.249 12.119 -1.137 1.00 0.00 H new ATOM 741 N GLU A 53 -4.629 11.659 -2.697 1.00 0.00 N ATOM 742 CA GLU A 53 -5.430 12.487 -3.591 1.00 0.00 C ATOM 743 C GLU A 53 -6.865 11.969 -3.672 1.00 0.00 C ATOM 744 O GLU A 53 -7.126 10.794 -3.412 1.00 0.00 O ATOM 745 CB GLU A 53 -4.805 12.520 -4.987 1.00 0.00 C ATOM 746 CG GLU A 53 -4.040 13.801 -5.281 1.00 0.00 C ATOM 747 CD GLU A 53 -4.506 14.481 -6.554 1.00 0.00 C ATOM 748 OE1 GLU A 53 -5.008 13.776 -7.454 1.00 0.00 O ATOM 749 OE2 GLU A 53 -4.369 15.719 -6.651 1.00 0.00 O ATOM 0 H GLU A 53 -3.979 11.033 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.451 13.500 -3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.130 11.671 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.592 12.398 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.155 14.489 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.977 13.574 -5.363 1.00 0.00 H new ATOM 756 N PRO A 54 -7.818 12.844 -4.035 1.00 0.00 N ATOM 757 CA PRO A 54 -9.232 12.470 -4.150 1.00 0.00 C ATOM 758 C PRO A 54 -9.493 11.555 -5.343 1.00 0.00 C ATOM 759 O PRO A 54 -10.222 11.914 -6.267 1.00 0.00 O ATOM 760 CB PRO A 54 -9.940 13.813 -4.339 1.00 0.00 C ATOM 761 CG PRO A 54 -8.911 14.703 -4.942 1.00 0.00 C ATOM 762 CD PRO A 54 -7.594 14.266 -4.363 1.00 0.00 C ATOM 0 HA PRO A 54 -9.579 11.910 -3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.808 13.714 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.298 14.209 -3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.908 14.615 -6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.113 15.748 -4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.780 14.390 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.332 14.846 -3.478 1.00 0.00 H new ATOM 770 N GLU A 55 -8.892 10.370 -5.314 1.00 0.00 N ATOM 771 CA GLU A 55 -9.059 9.402 -6.392 1.00 0.00 C ATOM 772 C GLU A 55 -8.831 7.981 -5.887 1.00 0.00 C ATOM 773 O GLU A 55 -7.935 7.734 -5.080 1.00 0.00 O ATOM 774 CB GLU A 55 -8.095 9.715 -7.539 1.00 0.00 C ATOM 775 CG GLU A 55 -8.794 10.104 -8.831 1.00 0.00 C ATOM 776 CD GLU A 55 -8.926 8.942 -9.796 1.00 0.00 C ATOM 777 OE1 GLU A 55 -8.077 8.027 -9.742 1.00 0.00 O ATOM 778 OE2 GLU A 55 -9.877 8.947 -10.604 1.00 0.00 O ATOM 0 H GLU A 55 -8.285 10.057 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.083 9.475 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.433 10.526 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.467 8.843 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.785 10.494 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.239 10.909 -9.312 1.00 0.00 H new ATOM 785 N GLY A 56 -9.646 7.048 -6.369 1.00 0.00 N ATOM 786 CA GLY A 56 -9.517 5.664 -5.955 1.00 0.00 C ATOM 787 C GLY A 56 -10.450 4.741 -6.714 1.00 0.00 C ATOM 788 O GLY A 56 -10.499 4.771 -7.943 1.00 0.00 O ATOM 0 H GLY A 56 -10.394 7.227 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.488 5.338 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.724 5.587 -4.888 1.00 0.00 H new ATOM 792 N LYS A 57 -11.192 3.918 -5.980 1.00 0.00 N ATOM 793 CA LYS A 57 -12.128 2.982 -6.590 1.00 0.00 C ATOM 794 C LYS A 57 -12.909 2.220 -5.525 1.00 0.00 C ATOM 795 O LYS A 57 -14.110 1.993 -5.664 1.00 0.00 O ATOM 796 CB LYS A 57 -11.382 1.999 -7.493 1.00 0.00 C ATOM 797 CG LYS A 57 -12.212 1.504 -8.669 1.00 0.00 C ATOM 798 CD LYS A 57 -11.886 2.267 -9.942 1.00 0.00 C ATOM 799 CE LYS A 57 -10.802 1.568 -10.748 1.00 0.00 C ATOM 800 NZ LYS A 57 -9.463 2.180 -10.525 1.00 0.00 N ATOM 0 H LYS A 57 -11.163 3.881 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.834 3.554 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.480 2.479 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.062 1.143 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.028 0.441 -8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.272 1.614 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.786 2.366 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.560 3.276 -9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.769 0.513 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.051 1.615 -11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.147 2.652 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.524 2.878 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.781 1.439 -10.266 1.00 0.00 H new ATOM 814 N ASN A 58 -12.217 1.827 -4.459 1.00 0.00 N ATOM 815 CA ASN A 58 -12.845 1.091 -3.368 1.00 0.00 C ATOM 816 C ASN A 58 -12.819 1.903 -2.077 1.00 0.00 C ATOM 817 O ASN A 58 -12.341 3.037 -2.056 1.00 0.00 O ATOM 818 CB ASN A 58 -12.137 -0.249 -3.156 1.00 0.00 C ATOM 819 CG ASN A 58 -12.153 -1.115 -4.399 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.724 -0.740 -5.424 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.523 -2.282 -4.316 1.00 0.00 N ATOM 0 H ASN A 58 -11.221 2.006 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.885 0.907 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.105 -0.068 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.617 -0.785 -2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.499 -2.907 -5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.063 -2.553 -3.447 1.00 0.00 H new ATOM 828 N ASP A 59 -13.336 1.315 -1.004 1.00 0.00 N ATOM 829 CA ASP A 59 -13.372 1.983 0.292 1.00 0.00 C ATOM 830 C ASP A 59 -12.599 1.186 1.338 1.00 0.00 C ATOM 831 O ASP A 59 -12.920 1.227 2.525 1.00 0.00 O ATOM 832 CB ASP A 59 -14.818 2.178 0.749 1.00 0.00 C ATOM 833 CG ASP A 59 -15.404 3.492 0.270 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.973 4.551 0.771 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.294 3.461 -0.606 1.00 0.00 O ATOM 0 H ASP A 59 -13.736 0.377 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.898 2.958 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.428 1.355 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.860 2.140 1.838 1.00 0.00 H new ATOM 840 N GLY A 60 -11.578 0.463 0.888 1.00 0.00 N ATOM 841 CA GLY A 60 -10.775 -0.332 1.798 1.00 0.00 C ATOM 842 C GLY A 60 -11.251 -1.769 1.889 1.00 0.00 C ATOM 843 O GLY A 60 -10.442 -2.697 1.913 1.00 0.00 O ATOM 0 H GLY A 60 -11.293 0.414 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.736 -0.317 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.801 0.120 2.790 1.00 0.00 H new ATOM 847 N SER A 61 -12.566 -1.953 1.940 1.00 0.00 N ATOM 848 CA SER A 61 -13.148 -3.288 2.030 1.00 0.00 C ATOM 849 C SER A 61 -13.693 -3.737 0.678 1.00 0.00 C ATOM 850 O SER A 61 -14.292 -2.948 -0.053 1.00 0.00 O ATOM 851 CB SER A 61 -14.262 -3.311 3.077 1.00 0.00 C ATOM 852 OG SER A 61 -15.220 -2.298 2.825 1.00 0.00 O ATOM 0 H SER A 61 -13.249 -1.195 1.921 1.00 0.00 H new ATOM 0 HA SER A 61 -12.362 -3.981 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.749 -4.286 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.835 -3.173 4.070 1.00 0.00 H new ATOM 0 HG SER A 61 -15.922 -2.335 3.507 1.00 0.00 H new ATOM 858 N VAL A 62 -13.481 -5.008 0.352 1.00 0.00 N ATOM 859 CA VAL A 62 -13.951 -5.562 -0.911 1.00 0.00 C ATOM 860 C VAL A 62 -14.776 -6.825 -0.682 1.00 0.00 C ATOM 861 O VAL A 62 -14.265 -7.832 -0.194 1.00 0.00 O ATOM 862 CB VAL A 62 -12.777 -5.894 -1.851 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.288 -6.281 -3.230 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.817 -4.717 -1.939 1.00 0.00 C ATOM 0 H VAL A 62 -12.986 -5.673 0.946 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.576 -4.801 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.235 -6.746 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.444 -6.512 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.932 -7.157 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.855 -5.452 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.993 -4.968 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.345 -3.845 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.424 -4.493 -0.947 1.00 0.00 H new ATOM 874 N GLY A 63 -16.055 -6.761 -1.038 1.00 0.00 N ATOM 875 CA GLY A 63 -16.930 -7.906 -0.864 1.00 0.00 C ATOM 876 C GLY A 63 -17.028 -8.344 0.585 1.00 0.00 C ATOM 877 O GLY A 63 -17.434 -7.567 1.449 1.00 0.00 O ATOM 0 H GLY A 63 -16.501 -5.938 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.925 -7.659 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.562 -8.736 -1.468 1.00 0.00 H new ATOM 881 N GLY A 64 -16.657 -9.593 0.850 1.00 0.00 N ATOM 882 CA GLY A 64 -16.711 -10.110 2.204 1.00 0.00 C ATOM 883 C GLY A 64 -15.370 -10.041 2.910 1.00 0.00 C ATOM 884 O GLY A 64 -15.114 -10.801 3.843 1.00 0.00 O ATOM 0 H GLY A 64 -16.320 -10.255 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.447 -9.545 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.052 -11.145 2.180 1.00 0.00 H new ATOM 888 N VAL A 65 -14.513 -9.128 2.462 1.00 0.00 N ATOM 889 CA VAL A 65 -13.192 -8.963 3.058 1.00 0.00 C ATOM 890 C VAL A 65 -12.930 -7.503 3.409 1.00 0.00 C ATOM 891 O VAL A 65 -13.213 -6.603 2.619 1.00 0.00 O ATOM 892 CB VAL A 65 -12.081 -9.460 2.111 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.729 -9.421 2.807 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.389 -10.863 1.610 1.00 0.00 C ATOM 0 H VAL A 65 -14.710 -8.492 1.689 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.177 -9.563 3.968 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.041 -8.793 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.957 -9.775 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.505 -8.398 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.755 -10.062 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.593 -11.194 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.460 -11.545 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.335 -10.857 1.069 1.00 0.00 H new ATOM 904 N ARG A 66 -12.386 -7.274 4.600 1.00 0.00 N ATOM 905 CA ARG A 66 -12.084 -5.922 5.057 1.00 0.00 C ATOM 906 C ARG A 66 -10.588 -5.748 5.292 1.00 0.00 C ATOM 907 O ARG A 66 -9.976 -6.503 6.049 1.00 0.00 O ATOM 908 CB ARG A 66 -12.855 -5.612 6.342 1.00 0.00 C ATOM 909 CG ARG A 66 -13.359 -4.180 6.418 1.00 0.00 C ATOM 910 CD ARG A 66 -13.548 -3.732 7.858 1.00 0.00 C ATOM 911 NE ARG A 66 -14.352 -2.516 7.951 1.00 0.00 N ATOM 912 CZ ARG A 66 -14.425 -1.757 9.042 1.00 0.00 C ATOM 913 NH1 ARG A 66 -13.743 -2.083 10.133 1.00 0.00 N ATOM 914 NH2 ARG A 66 -15.180 -0.668 9.042 1.00 0.00 N ATOM 0 H ARG A 66 -12.145 -8.008 5.266 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.393 -5.224 4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.704 -6.292 6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.210 -5.808 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.652 -3.517 5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.305 -4.097 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.029 -4.529 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.574 -3.558 8.315 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.889 -2.232 7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.159 -2.919 10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.803 -1.497 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.705 -0.412 8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.236 -0.086 9.878 1.00 0.00 H new ATOM 928 N TYR A 67 -10.003 -4.749 4.639 1.00 0.00 N ATOM 929 CA TYR A 67 -8.578 -4.475 4.778 1.00 0.00 C ATOM 930 C TYR A 67 -8.343 -3.203 5.586 1.00 0.00 C ATOM 931 O TYR A 67 -7.385 -3.111 6.352 1.00 0.00 O ATOM 932 CB TYR A 67 -7.926 -4.343 3.400 1.00 0.00 C ATOM 933 CG TYR A 67 -8.205 -5.513 2.483 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.484 -5.750 1.996 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.187 -6.379 2.102 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.742 -6.818 1.158 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.437 -7.449 1.264 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.716 -7.663 0.795 1.00 0.00 C ATOM 939 OH TYR A 67 -8.969 -8.727 -0.040 1.00 0.00 O ATOM 0 H TYR A 67 -10.494 -4.116 4.008 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.124 -5.311 5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.281 -3.428 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.848 -4.240 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.290 -5.089 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.184 -6.213 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.743 -6.989 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.635 -8.114 0.978 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.139 -9.223 -0.199 1.00 0.00 H new ATOM 949 N PHE A 68 -9.226 -2.226 5.411 1.00 0.00 N ATOM 950 CA PHE A 68 -9.116 -0.958 6.123 1.00 0.00 C ATOM 951 C PHE A 68 -10.292 -0.045 5.793 1.00 0.00 C ATOM 952 O PHE A 68 -11.127 -0.372 4.950 1.00 0.00 O ATOM 953 CB PHE A 68 -7.801 -0.263 5.768 1.00 0.00 C ATOM 954 CG PHE A 68 -7.539 -0.194 4.290 1.00 0.00 C ATOM 955 CD1 PHE A 68 -6.862 -1.216 3.644 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.973 0.892 3.547 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.621 -1.155 2.284 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.735 0.959 2.187 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.058 -0.066 1.555 1.00 0.00 C ATOM 0 H PHE A 68 -10.026 -2.288 4.782 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.131 -1.168 7.193 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.813 0.748 6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.978 -0.791 6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.519 -2.070 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.503 1.696 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.092 -1.958 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.078 1.811 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.871 -0.016 0.493 1.00 0.00 H new ATOM 969 N ILE A 69 -10.351 1.102 6.463 1.00 0.00 N ATOM 970 CA ILE A 69 -11.425 2.062 6.239 1.00 0.00 C ATOM 971 C ILE A 69 -10.881 3.380 5.697 1.00 0.00 C ATOM 972 O ILE A 69 -10.048 4.028 6.332 1.00 0.00 O ATOM 973 CB ILE A 69 -12.211 2.341 7.535 1.00 0.00 C ATOM 974 CG1 ILE A 69 -11.251 2.626 8.691 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.116 1.165 7.868 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.951 2.948 9.993 1.00 0.00 C ATOM 0 H ILE A 69 -9.668 1.388 7.165 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.096 1.617 5.504 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.834 3.222 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.606 1.760 8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.605 3.461 8.419 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.665 1.377 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.821 1.006 7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.512 0.268 8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.208 3.139 10.768 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -12.574 3.833 9.862 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.575 2.105 10.289 1.00 0.00 H new ATOM 988 N CYS A 70 -11.356 3.769 4.518 1.00 0.00 N ATOM 989 CA CYS A 70 -10.918 5.010 3.890 1.00 0.00 C ATOM 990 C CYS A 70 -12.098 5.752 3.268 1.00 0.00 C ATOM 991 O CYS A 70 -13.136 5.154 2.982 1.00 0.00 O ATOM 992 CB CYS A 70 -9.864 4.718 2.819 1.00 0.00 C ATOM 993 SG CYS A 70 -10.393 3.525 1.568 1.00 0.00 S ATOM 0 H CYS A 70 -12.044 3.243 3.979 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.479 5.643 4.661 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.596 5.652 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.963 4.344 3.304 1.00 0.00 H new ATOM 0 HG CYS A 70 -11.146 4.121 0.691 1.00 0.00 H new ATOM 999 N PRO A 71 -11.955 7.071 3.050 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.017 7.892 2.460 1.00 0.00 C ATOM 1001 C PRO A 71 -13.538 7.309 1.149 1.00 0.00 C ATOM 1002 O PRO A 71 -12.901 6.443 0.549 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.333 9.238 2.212 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.218 9.282 3.199 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.751 7.863 3.362 1.00 0.00 C ATOM 0 HA PRO A 71 -13.889 7.957 3.110 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.961 9.311 1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.025 10.067 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.409 9.921 2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.555 9.693 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.930 7.630 2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.394 7.671 4.374 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.708 7.779 0.684 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.313 7.299 -0.563 1.00 0.00 C ATOM 1015 C PRO A 72 -14.346 7.372 -1.739 1.00 0.00 C ATOM 1016 O PRO A 72 -13.895 8.452 -2.120 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.490 8.253 -0.779 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.833 8.749 0.582 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.534 8.813 1.337 1.00 0.00 C ATOM 0 HA PRO A 72 -15.605 6.251 -0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.217 9.074 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.335 7.740 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.305 9.730 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.539 8.080 1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.075 9.799 1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.675 8.604 2.398 1.00 0.00 H new ATOM 1027 N LYS A 73 -14.030 6.214 -2.312 1.00 0.00 N ATOM 1028 CA LYS A 73 -13.116 6.147 -3.446 1.00 0.00 C ATOM 1029 C LYS A 73 -11.747 6.708 -3.074 1.00 0.00 C ATOM 1030 O LYS A 73 -11.504 7.909 -3.194 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.690 6.917 -4.637 1.00 0.00 C ATOM 1032 CG LYS A 73 -15.016 6.366 -5.135 1.00 0.00 C ATOM 1033 CD LYS A 73 -14.825 5.445 -6.330 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.703 4.208 -6.227 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.151 4.547 -6.294 1.00 0.00 N ATOM 0 H LYS A 73 -14.394 5.310 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.996 5.100 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.823 7.961 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.968 6.898 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.510 5.821 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.673 7.191 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.061 5.984 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.779 5.145 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.454 3.518 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.494 3.692 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.715 3.676 -6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.395 5.185 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.356 5.017 -7.199 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.856 5.831 -2.623 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.511 6.240 -2.235 1.00 0.00 C ATOM 1051 C GLN A 74 -8.613 5.025 -2.022 1.00 0.00 C ATOM 1052 O GLN A 74 -7.458 5.013 -2.448 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.562 7.083 -0.958 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.660 8.307 -1.002 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.382 9.580 -0.605 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.312 10.017 -1.283 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.956 10.181 0.499 1.00 0.00 N ATOM 0 H GLN A 74 -11.041 4.833 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.092 6.840 -3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.589 7.405 -0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.276 6.461 -0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.812 8.152 -0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.258 8.421 -2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.181 9.783 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.403 11.041 0.817 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.151 4.005 -1.362 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.384 2.800 -1.107 1.00 0.00 C ATOM 1068 C GLY A 75 -8.197 1.957 -2.353 1.00 0.00 C ATOM 1069 O GLY A 75 -9.167 1.472 -2.934 1.00 0.00 O ATOM 0 H GLY A 75 -10.104 3.991 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.408 3.073 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.888 2.207 -0.343 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.945 1.782 -2.763 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.632 0.993 -3.949 1.00 0.00 C ATOM 1075 C LEU A 76 -5.447 0.069 -3.691 1.00 0.00 C ATOM 1076 O LEU A 76 -4.413 0.497 -3.179 1.00 0.00 O ATOM 1077 CB LEU A 76 -6.333 1.914 -5.135 1.00 0.00 C ATOM 1078 CG LEU A 76 -6.999 1.510 -6.452 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -7.450 2.740 -7.224 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -6.048 0.671 -7.293 1.00 0.00 C ATOM 0 H LEU A 76 -6.131 2.176 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.500 0.378 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.651 2.925 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.254 1.948 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.879 0.909 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.921 2.431 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.166 3.303 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.587 3.368 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.537 0.392 -8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.150 1.249 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.774 -0.230 -6.743 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.603 -1.201 -4.051 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.545 -2.187 -3.859 1.00 0.00 C ATOM 1094 C PHE A 77 -3.725 -2.361 -5.134 1.00 0.00 C ATOM 1095 O PHE A 77 -4.211 -2.107 -6.235 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.141 -3.530 -3.436 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.148 -3.417 -2.326 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.444 -3.006 -2.588 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -5.797 -3.724 -1.020 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.372 -2.901 -1.570 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -6.721 -3.622 0.002 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.010 -3.210 -0.273 1.00 0.00 C ATOM 0 H PHE A 77 -6.452 -1.572 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.885 -1.825 -3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.615 -3.996 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.335 -4.192 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.733 -2.765 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.790 -4.046 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.379 -2.578 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.435 -3.864 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.734 -3.129 0.524 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.480 -2.798 -4.975 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.593 -3.007 -6.113 1.00 0.00 C ATOM 1114 C ALA A 78 -0.445 -3.942 -5.749 1.00 0.00 C ATOM 1115 O ALA A 78 -0.154 -4.154 -4.572 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.053 -1.675 -6.612 1.00 0.00 C ATOM 0 H ALA A 78 -2.063 -3.014 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.169 -3.475 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.392 -1.846 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.883 -1.038 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.497 -1.185 -5.813 1.00 0.00 H new ATOM 1122 N SER A 79 0.205 -4.498 -6.767 1.00 0.00 N ATOM 1123 CA SER A 79 1.322 -5.410 -6.552 1.00 0.00 C ATOM 1124 C SER A 79 2.562 -4.650 -6.093 1.00 0.00 C ATOM 1125 O SER A 79 2.773 -3.499 -6.475 1.00 0.00 O ATOM 1126 CB SER A 79 1.630 -6.183 -7.836 1.00 0.00 C ATOM 1127 OG SER A 79 0.438 -6.551 -8.508 1.00 0.00 O ATOM 0 H SER A 79 -0.023 -4.333 -7.747 1.00 0.00 H new ATOM 0 HA SER A 79 1.039 -6.115 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.248 -5.571 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.207 -7.076 -7.597 1.00 0.00 H new ATOM 0 HG SER A 79 0.662 -7.042 -9.326 1.00 0.00 H new ATOM 1133 N VAL A 80 3.379 -5.301 -5.272 1.00 0.00 N ATOM 1134 CA VAL A 80 4.599 -4.688 -4.759 1.00 0.00 C ATOM 1135 C VAL A 80 5.493 -4.197 -5.894 1.00 0.00 C ATOM 1136 O VAL A 80 6.227 -3.221 -5.741 1.00 0.00 O ATOM 1137 CB VAL A 80 5.395 -5.674 -3.885 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.636 -5.989 -2.606 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.701 -6.947 -4.661 1.00 0.00 C ATOM 0 H VAL A 80 3.218 -6.254 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 80 4.292 -3.837 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 80 6.341 -5.206 -3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.215 -6.687 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.474 -5.070 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.673 -6.436 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.264 -7.633 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.768 -7.420 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.291 -6.702 -5.544 1.00 0.00 H new ATOM 1149 N SER A 81 5.425 -4.880 -7.032 1.00 0.00 N ATOM 1150 CA SER A 81 6.226 -4.515 -8.192 1.00 0.00 C ATOM 1151 C SER A 81 5.948 -3.076 -8.622 1.00 0.00 C ATOM 1152 O SER A 81 6.803 -2.419 -9.216 1.00 0.00 O ATOM 1153 CB SER A 81 5.943 -5.469 -9.354 1.00 0.00 C ATOM 1154 OG SER A 81 6.816 -6.585 -9.323 1.00 0.00 O ATOM 0 H SER A 81 4.822 -5.690 -7.175 1.00 0.00 H new ATOM 0 HA SER A 81 7.277 -4.593 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.909 -5.811 -9.304 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.058 -4.939 -10.300 1.00 0.00 H new ATOM 0 HG SER A 81 6.613 -7.180 -10.075 1.00 0.00 H new ATOM 1160 N LYS A 82 4.746 -2.594 -8.321 1.00 0.00 N ATOM 1161 CA LYS A 82 4.358 -1.235 -8.678 1.00 0.00 C ATOM 1162 C LYS A 82 4.302 -0.339 -7.443 1.00 0.00 C ATOM 1163 O LYS A 82 3.390 0.475 -7.295 1.00 0.00 O ATOM 1164 CB LYS A 82 2.999 -1.241 -9.381 1.00 0.00 C ATOM 1165 CG LYS A 82 2.901 -2.262 -10.504 1.00 0.00 C ATOM 1166 CD LYS A 82 3.182 -1.631 -11.860 1.00 0.00 C ATOM 1167 CE LYS A 82 4.346 -2.311 -12.563 1.00 0.00 C ATOM 1168 NZ LYS A 82 4.499 -1.840 -13.967 1.00 0.00 N ATOM 0 H LYS A 82 4.025 -3.124 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 82 5.111 -0.836 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.220 -1.445 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.804 -0.248 -9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.610 -3.071 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.905 -2.706 -10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.291 -1.696 -12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.403 -0.572 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.266 -2.116 -12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.193 -3.390 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.303 -2.328 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.631 -2.049 -14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.670 -0.814 -13.972 1.00 0.00 H new ATOM 1182 N ILE A 83 5.282 -0.494 -6.559 1.00 0.00 N ATOM 1183 CA ILE A 83 5.344 0.304 -5.339 1.00 0.00 C ATOM 1184 C ILE A 83 6.759 0.812 -5.085 1.00 0.00 C ATOM 1185 O ILE A 83 7.735 0.096 -5.306 1.00 0.00 O ATOM 1186 CB ILE A 83 4.874 -0.502 -4.113 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.573 -1.244 -4.430 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.688 0.416 -2.916 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.430 -0.327 -4.804 1.00 0.00 C ATOM 0 H ILE A 83 6.044 -1.164 -6.664 1.00 0.00 H new ATOM 0 HA ILE A 83 4.676 1.153 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 83 5.639 -1.238 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.752 -1.941 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.283 -1.838 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.356 -0.168 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.635 0.902 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.940 1.173 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.541 -0.921 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.224 0.353 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.700 0.249 -5.689 1.00 0.00 H new ATOM 1201 N SER A 84 6.861 2.051 -4.615 1.00 0.00 N ATOM 1202 CA SER A 84 8.156 2.656 -4.328 1.00 0.00 C ATOM 1203 C SER A 84 8.206 3.171 -2.892 1.00 0.00 C ATOM 1204 O SER A 84 7.172 3.450 -2.285 1.00 0.00 O ATOM 1205 CB SER A 84 8.437 3.799 -5.306 1.00 0.00 C ATOM 1206 OG SER A 84 9.431 3.432 -6.248 1.00 0.00 O ATOM 0 H SER A 84 6.062 2.656 -4.425 1.00 0.00 H new ATOM 0 HA SER A 84 8.924 1.891 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.519 4.069 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.762 4.682 -4.755 1.00 0.00 H new ATOM 0 HG SER A 84 9.591 4.179 -6.862 1.00 0.00 H new ATOM 1212 N LYS A 85 9.415 3.295 -2.355 1.00 0.00 N ATOM 1213 CA LYS A 85 9.600 3.777 -0.991 1.00 0.00 C ATOM 1214 C LYS A 85 9.434 5.292 -0.922 1.00 0.00 C ATOM 1215 O LYS A 85 10.109 6.033 -1.636 1.00 0.00 O ATOM 1216 CB LYS A 85 10.981 3.378 -0.470 1.00 0.00 C ATOM 1217 CG LYS A 85 11.185 1.875 -0.373 1.00 0.00 C ATOM 1218 CD LYS A 85 12.430 1.529 0.429 1.00 0.00 C ATOM 1219 CE LYS A 85 13.343 0.583 -0.334 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.166 -0.830 0.100 1.00 0.00 N ATOM 0 H LYS A 85 10.281 3.068 -2.843 1.00 0.00 H new ATOM 0 HA LYS A 85 8.837 3.318 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.743 3.798 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.130 3.821 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.312 1.418 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.268 1.453 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.973 2.443 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.139 1.071 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.138 0.663 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.381 0.881 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.806 -1.443 -0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.386 -0.912 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.182 -1.123 -0.066 1.00 0.00 H new ATOM 1234 N ALA A 86 8.533 5.744 -0.057 1.00 0.00 N ATOM 1235 CA ALA A 86 8.279 7.171 0.106 1.00 0.00 C ATOM 1236 C ALA A 86 8.669 7.641 1.504 1.00 0.00 C ATOM 1237 O ALA A 86 7.930 8.385 2.149 1.00 0.00 O ATOM 1238 CB ALA A 86 6.815 7.479 -0.169 1.00 0.00 C ATOM 0 H ALA A 86 7.966 5.143 0.542 1.00 0.00 H new ATOM 0 HA ALA A 86 8.894 7.711 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.638 8.547 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.567 7.187 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.189 6.924 0.529 1.00 0.00 H new