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 Single : A 11 MET CE :methyl -164:sc= 0 (180deg=-0.489) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.16) 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= -0.682 USER MOD Single : A 36 CYS SG : rot 180:sc= -1.77 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 51:sc= 0.406 USER MOD Single : A 43 SER OG : rot 180:sc= 0.023 USER MOD Single : A 45 GLN : amide:sc= -0.366 K(o=-0.37,f=-2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.35 X(o=-1.4,f=-0.98) USER MOD Single : A 61 SER OG : rot 180:sc= -0.441 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -108:sc= -1.3 USER MOD Single : A 73 LYS NZ :NH3+ -146:sc= 0.28 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.97) USER MOD Single : A 79 SER OG : rot -44:sc= 1.13 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00283 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.902 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 6.334 -11.309 2.522 1.00 0.00 N ATOM 109 CA MET A 11 6.695 -10.257 1.579 1.00 0.00 C ATOM 110 C MET A 11 7.237 -9.033 2.310 1.00 0.00 C ATOM 111 O MET A 11 8.184 -8.394 1.852 1.00 0.00 O ATOM 112 CB MET A 11 5.482 -9.865 0.732 1.00 0.00 C ATOM 113 CG MET A 11 5.364 -10.655 -0.563 1.00 0.00 C ATOM 114 SD MET A 11 3.859 -11.646 -0.643 1.00 0.00 S ATOM 115 CE MET A 11 4.286 -12.998 0.451 1.00 0.00 C ATOM 0 HA MET A 11 7.477 -10.642 0.925 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.576 -10.010 1.320 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.542 -8.803 0.496 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.385 -9.966 -1.407 1.00 0.00 H new ATOM 0 HG3 MET A 11 6.230 -11.309 -0.664 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.595 -13.826 0.293 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.303 -13.329 0.241 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.220 -12.663 1.486 1.00 0.00 H new ATOM 125 N LEU A 12 6.631 -8.712 3.448 1.00 0.00 N ATOM 126 CA LEU A 12 7.055 -7.564 4.243 1.00 0.00 C ATOM 127 C LEU A 12 8.509 -7.710 4.679 1.00 0.00 C ATOM 128 O LEU A 12 9.300 -6.775 4.558 1.00 0.00 O ATOM 129 CB LEU A 12 6.156 -7.408 5.471 1.00 0.00 C ATOM 130 CG LEU A 12 4.749 -6.883 5.182 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.790 -7.285 6.291 1.00 0.00 C ATOM 132 CD2 LEU A 12 4.769 -5.372 5.011 1.00 0.00 C ATOM 0 H LEU A 12 5.845 -9.230 3.841 1.00 0.00 H new ATOM 0 HA LEU A 12 6.969 -6.672 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.072 -8.376 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.642 -6.732 6.174 1.00 0.00 H new ATOM 0 HG LEU A 12 4.400 -7.329 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.794 -6.902 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.753 -8.372 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.134 -6.869 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.760 -5.016 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.139 -4.907 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.423 -5.109 4.179 1.00 0.00 H new ATOM 144 N SER A 13 8.855 -8.890 5.186 1.00 0.00 N ATOM 145 CA SER A 13 10.214 -9.157 5.640 1.00 0.00 C ATOM 146 C SER A 13 11.194 -9.125 4.472 1.00 0.00 C ATOM 147 O SER A 13 12.356 -8.750 4.633 1.00 0.00 O ATOM 148 CB SER A 13 10.283 -10.515 6.341 1.00 0.00 C ATOM 149 OG SER A 13 10.215 -11.576 5.406 1.00 0.00 O ATOM 0 H SER A 13 8.213 -9.675 5.292 1.00 0.00 H new ATOM 0 HA SER A 13 10.494 -8.376 6.347 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.210 -10.587 6.910 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.463 -10.602 7.054 1.00 0.00 H new ATOM 0 HG SER A 13 10.263 -12.433 5.879 1.00 0.00 H new ATOM 155 N ALA A 14 10.719 -9.521 3.296 1.00 0.00 N ATOM 156 CA ALA A 14 11.553 -9.538 2.101 1.00 0.00 C ATOM 157 C ALA A 14 11.915 -8.122 1.665 1.00 0.00 C ATOM 158 O ALA A 14 13.089 -7.800 1.478 1.00 0.00 O ATOM 159 CB ALA A 14 10.846 -10.275 0.974 1.00 0.00 C ATOM 0 H ALA A 14 9.760 -9.835 3.145 1.00 0.00 H new ATOM 0 HA ALA A 14 12.477 -10.064 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.481 -10.280 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.644 -11.301 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.906 -9.773 0.744 1.00 0.00 H new ATOM 165 N LEU A 15 10.900 -7.280 1.505 1.00 0.00 N ATOM 166 CA LEU A 15 11.111 -5.898 1.092 1.00 0.00 C ATOM 167 C LEU A 15 11.662 -5.064 2.244 1.00 0.00 C ATOM 168 O LEU A 15 12.581 -4.265 2.062 1.00 0.00 O ATOM 169 CB LEU A 15 9.801 -5.288 0.588 1.00 0.00 C ATOM 170 CG LEU A 15 9.200 -5.973 -0.641 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.760 -5.527 -0.848 1.00 0.00 C ATOM 172 CD2 LEU A 15 10.035 -5.676 -1.878 1.00 0.00 C ATOM 0 H LEU A 15 9.923 -7.531 1.655 1.00 0.00 H new ATOM 0 HA LEU A 15 11.841 -5.895 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.070 -5.317 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.974 -4.238 0.352 1.00 0.00 H new ATOM 0 HG LEU A 15 9.206 -7.050 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.348 -6.024 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.168 -5.790 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.731 -4.447 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.593 -6.171 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.061 -4.600 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.050 -6.044 -1.729 1.00 0.00 H new ATOM 184 N GLY A 16 11.094 -5.255 3.431 1.00 0.00 N ATOM 185 CA GLY A 16 11.541 -4.514 4.594 1.00 0.00 C ATOM 186 C GLY A 16 10.667 -3.311 4.888 1.00 0.00 C ATOM 187 O GLY A 16 11.151 -2.284 5.362 1.00 0.00 O ATOM 0 H GLY A 16 10.332 -5.910 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.548 -5.175 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.568 -4.183 4.437 1.00 0.00 H new ATOM 191 N LEU A 17 9.374 -3.438 4.606 1.00 0.00 N ATOM 192 CA LEU A 17 8.430 -2.352 4.841 1.00 0.00 C ATOM 193 C LEU A 17 7.495 -2.686 5.999 1.00 0.00 C ATOM 194 O LEU A 17 7.105 -3.840 6.182 1.00 0.00 O ATOM 195 CB LEU A 17 7.615 -2.072 3.578 1.00 0.00 C ATOM 196 CG LEU A 17 6.908 -0.717 3.550 1.00 0.00 C ATOM 197 CD1 LEU A 17 7.924 0.413 3.489 1.00 0.00 C ATOM 198 CD2 LEU A 17 5.951 -0.640 2.369 1.00 0.00 C ATOM 0 H LEU A 17 8.957 -4.282 4.214 1.00 0.00 H new ATOM 0 HA LEU A 17 9.000 -1.460 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.278 -2.137 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.867 -2.857 3.465 1.00 0.00 H new ATOM 0 HG LEU A 17 6.330 -0.610 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.403 1.370 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.570 0.369 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.528 0.311 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.456 0.331 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.508 -0.768 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.203 -1.428 2.455 1.00 0.00 H new ATOM 210 N ARG A 18 7.139 -1.671 6.779 1.00 0.00 N ATOM 211 CA ARG A 18 6.249 -1.858 7.919 1.00 0.00 C ATOM 212 C ARG A 18 4.829 -1.417 7.579 1.00 0.00 C ATOM 213 O ARG A 18 4.607 -0.701 6.601 1.00 0.00 O ATOM 214 CB ARG A 18 6.767 -1.074 9.129 1.00 0.00 C ATOM 215 CG ARG A 18 6.858 -1.906 10.398 1.00 0.00 C ATOM 216 CD ARG A 18 7.855 -3.044 10.249 1.00 0.00 C ATOM 217 NE ARG A 18 9.098 -2.781 10.971 1.00 0.00 N ATOM 218 CZ ARG A 18 10.220 -3.474 10.792 1.00 0.00 C ATOM 219 NH1 ARG A 18 10.260 -4.471 9.917 1.00 0.00 N ATOM 220 NH2 ARG A 18 11.305 -3.169 11.490 1.00 0.00 N ATOM 0 H ARG A 18 7.453 -0.710 6.643 1.00 0.00 H new ATOM 0 HA ARG A 18 6.229 -2.920 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.753 -0.672 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.110 -0.223 9.309 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.154 -1.269 11.231 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.875 -2.311 10.640 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.409 -3.967 10.619 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.075 -3.197 9.192 1.00 0.00 H new ATOM 0 HE ARG A 18 9.106 -2.022 11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.428 -4.710 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.123 -4.999 9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.280 -2.404 12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.165 -3.700 11.353 1.00 0.00 H new ATOM 234 N LEU A 19 3.870 -1.850 8.390 1.00 0.00 N ATOM 235 CA LEU A 19 2.471 -1.501 8.174 1.00 0.00 C ATOM 236 C LEU A 19 2.138 -0.161 8.822 1.00 0.00 C ATOM 237 O LEU A 19 2.116 -0.040 10.047 1.00 0.00 O ATOM 238 CB LEU A 19 1.558 -2.592 8.738 1.00 0.00 C ATOM 239 CG LEU A 19 1.435 -3.846 7.871 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.822 -4.987 8.666 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.606 -3.554 6.629 1.00 0.00 C ATOM 0 H LEU A 19 4.036 -2.443 9.203 1.00 0.00 H new ATOM 0 HA LEU A 19 2.306 -1.417 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.930 -2.883 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.563 -2.172 8.885 1.00 0.00 H new ATOM 0 HG LEU A 19 2.434 -4.147 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.743 -5.870 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.454 -5.212 9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.171 -4.698 9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.528 -4.457 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.391 -3.229 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.086 -2.767 6.048 1.00 0.00 H new ATOM 253 N GLY A 20 1.879 0.844 7.991 1.00 0.00 N ATOM 254 CA GLY A 20 1.552 2.163 8.501 1.00 0.00 C ATOM 255 C GLY A 20 2.339 3.263 7.816 1.00 0.00 C ATOM 256 O GLY A 20 1.873 4.398 7.718 1.00 0.00 O ATOM 0 H GLY A 20 1.890 0.768 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.486 2.346 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.749 2.193 9.573 1.00 0.00 H new ATOM 260 N ASP A 21 3.533 2.926 7.342 1.00 0.00 N ATOM 261 CA ASP A 21 4.386 3.894 6.663 1.00 0.00 C ATOM 262 C ASP A 21 3.807 4.271 5.303 1.00 0.00 C ATOM 263 O ASP A 21 2.936 3.579 4.775 1.00 0.00 O ATOM 264 CB ASP A 21 5.798 3.330 6.490 1.00 0.00 C ATOM 265 CG ASP A 21 6.842 4.420 6.345 1.00 0.00 C ATOM 266 OD1 ASP A 21 7.342 4.905 7.381 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.161 4.786 5.194 1.00 0.00 O ATOM 0 H ASP A 21 3.932 1.990 7.415 1.00 0.00 H new ATOM 0 HA ASP A 21 4.434 4.792 7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.045 2.706 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.824 2.686 5.611 1.00 0.00 H new ATOM 272 N ARG A 22 4.297 5.371 4.741 1.00 0.00 N ATOM 273 CA ARG A 22 3.829 5.840 3.442 1.00 0.00 C ATOM 274 C ARG A 22 4.620 5.188 2.312 1.00 0.00 C ATOM 275 O ARG A 22 5.708 4.656 2.529 1.00 0.00 O ATOM 276 CB ARG A 22 3.946 7.363 3.355 1.00 0.00 C ATOM 277 CG ARG A 22 2.656 8.049 2.932 1.00 0.00 C ATOM 278 CD ARG A 22 1.590 7.948 4.012 1.00 0.00 C ATOM 279 NE ARG A 22 0.826 9.185 4.144 1.00 0.00 N ATOM 280 CZ ARG A 22 1.262 10.262 4.793 1.00 0.00 C ATOM 281 NH1 ARG A 22 2.456 10.257 5.373 1.00 0.00 N ATOM 282 NH2 ARG A 22 0.503 11.347 4.865 1.00 0.00 N ATOM 0 H ARG A 22 5.018 5.954 5.165 1.00 0.00 H new ATOM 0 HA ARG A 22 2.782 5.558 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.253 7.752 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.733 7.619 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.855 9.098 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.287 7.596 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.913 7.127 3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.061 7.710 4.965 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.097 9.226 3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.044 9.425 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.785 11.085 5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.416 11.357 4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.838 12.172 5.363 1.00 0.00 H new ATOM 296 N VAL A 23 4.066 5.235 1.105 1.00 0.00 N ATOM 297 CA VAL A 23 4.720 4.649 -0.059 1.00 0.00 C ATOM 298 C VAL A 23 4.441 5.467 -1.315 1.00 0.00 C ATOM 299 O VAL A 23 3.589 6.356 -1.314 1.00 0.00 O ATOM 300 CB VAL A 23 4.260 3.198 -0.292 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.882 2.267 0.737 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.742 3.108 -0.257 1.00 0.00 C ATOM 0 H VAL A 23 3.166 5.673 0.908 1.00 0.00 H new ATOM 0 HA VAL A 23 5.791 4.653 0.145 1.00 0.00 H new ATOM 0 HB VAL A 23 4.597 2.884 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.545 1.247 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.968 2.310 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.580 2.576 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.435 2.076 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.380 3.442 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.322 3.742 -1.038 1.00 0.00 H new ATOM 312 N LEU A 24 5.165 5.160 -2.387 1.00 0.00 N ATOM 313 CA LEU A 24 4.996 5.867 -3.652 1.00 0.00 C ATOM 314 C LEU A 24 4.325 4.975 -4.690 1.00 0.00 C ATOM 315 O LEU A 24 4.813 3.887 -4.996 1.00 0.00 O ATOM 316 CB LEU A 24 6.351 6.347 -4.176 1.00 0.00 C ATOM 317 CG LEU A 24 6.319 7.676 -4.933 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.697 8.768 -4.074 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.722 8.071 -5.371 1.00 0.00 C ATOM 0 H LEU A 24 5.874 4.427 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 24 4.355 6.730 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.036 6.443 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.761 5.581 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 24 5.703 7.551 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.684 9.705 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.677 8.487 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.284 8.894 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.682 9.019 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.360 8.178 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.130 7.300 -6.025 1.00 0.00 H new ATOM 331 N LEU A 25 3.205 5.442 -5.230 1.00 0.00 N ATOM 332 CA LEU A 25 2.466 4.688 -6.235 1.00 0.00 C ATOM 333 C LEU A 25 2.792 5.190 -7.638 1.00 0.00 C ATOM 334 O LEU A 25 2.675 6.381 -7.924 1.00 0.00 O ATOM 335 CB LEU A 25 0.961 4.792 -5.980 1.00 0.00 C ATOM 336 CG LEU A 25 0.518 4.438 -4.560 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.960 4.738 -4.370 1.00 0.00 C ATOM 338 CD2 LEU A 25 0.810 2.974 -4.260 1.00 0.00 C ATOM 0 H LEU A 25 2.788 6.341 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 25 2.767 3.643 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.640 5.810 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.443 4.136 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 25 1.084 5.052 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.256 4.479 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.141 5.799 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.544 4.151 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.488 2.739 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.271 2.343 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.880 2.790 -4.353 1.00 0.00 H new ATOM 350 N ASP A 26 3.202 4.273 -8.509 1.00 0.00 N ATOM 351 CA ASP A 26 3.546 4.622 -9.883 1.00 0.00 C ATOM 352 C ASP A 26 4.725 5.591 -9.921 1.00 0.00 C ATOM 353 O ASP A 26 4.868 6.372 -10.862 1.00 0.00 O ATOM 354 CB ASP A 26 2.336 5.239 -10.593 1.00 0.00 C ATOM 355 CG ASP A 26 1.952 4.478 -11.847 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.691 4.575 -12.849 1.00 0.00 O ATOM 357 OD2 ASP A 26 0.912 3.787 -11.827 1.00 0.00 O ATOM 0 H ASP A 26 3.304 3.283 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 26 3.836 3.708 -10.402 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.488 5.258 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.559 6.274 -10.853 1.00 0.00 H new ATOM 362 N GLY A 27 5.567 5.535 -8.894 1.00 0.00 N ATOM 363 CA GLY A 27 6.723 6.412 -8.832 1.00 0.00 C ATOM 364 C GLY A 27 6.347 7.880 -8.906 1.00 0.00 C ATOM 365 O GLY A 27 7.139 8.707 -9.357 1.00 0.00 O ATOM 0 H GLY A 27 5.470 4.898 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.266 6.226 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.400 6.173 -9.652 1.00 0.00 H new ATOM 369 N GLN A 28 5.137 8.203 -8.461 1.00 0.00 N ATOM 370 CA GLN A 28 4.660 9.582 -8.480 1.00 0.00 C ATOM 371 C GLN A 28 3.657 9.825 -7.357 1.00 0.00 C ATOM 372 O GLN A 28 3.950 10.533 -6.392 1.00 0.00 O ATOM 373 CB GLN A 28 4.019 9.904 -9.832 1.00 0.00 C ATOM 374 CG GLN A 28 4.988 10.505 -10.836 1.00 0.00 C ATOM 375 CD GLN A 28 4.964 12.022 -10.834 1.00 0.00 C ATOM 376 OE1 GLN A 28 5.097 12.655 -9.787 1.00 0.00 O ATOM 377 NE2 GLN A 28 4.794 12.612 -12.012 1.00 0.00 N ATOM 0 H GLN A 28 4.470 7.530 -8.083 1.00 0.00 H new ATOM 0 HA GLN A 28 5.516 10.239 -8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.595 8.991 -10.250 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.193 10.598 -9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.998 10.161 -10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.742 10.143 -11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.688 12.047 -12.855 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.770 13.630 -12.074 1.00 0.00 H new ATOM 386 N LYS A 29 2.473 9.236 -7.488 1.00 0.00 N ATOM 387 CA LYS A 29 1.427 9.390 -6.483 1.00 0.00 C ATOM 388 C LYS A 29 1.894 8.875 -5.126 1.00 0.00 C ATOM 389 O LYS A 29 2.765 8.009 -5.046 1.00 0.00 O ATOM 390 CB LYS A 29 0.161 8.647 -6.915 1.00 0.00 C ATOM 391 CG LYS A 29 -0.728 9.452 -7.847 1.00 0.00 C ATOM 392 CD LYS A 29 -0.309 9.289 -9.298 1.00 0.00 C ATOM 393 CE LYS A 29 0.732 10.323 -9.698 1.00 0.00 C ATOM 394 NZ LYS A 29 0.128 11.457 -10.451 1.00 0.00 N ATOM 0 H LYS A 29 2.214 8.648 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 29 1.203 10.453 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.446 7.718 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.410 8.373 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.764 9.133 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.685 10.506 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.094 8.288 -9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.183 9.383 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.228 10.703 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.499 9.848 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.870 12.140 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.323 11.098 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.586 11.927 -9.858 1.00 0.00 H new ATOM 408 N THR A 30 1.310 9.415 -4.060 1.00 0.00 N ATOM 409 CA THR A 30 1.667 9.010 -2.705 1.00 0.00 C ATOM 410 C THR A 30 0.491 8.327 -2.015 1.00 0.00 C ATOM 411 O THR A 30 -0.665 8.684 -2.240 1.00 0.00 O ATOM 412 CB THR A 30 2.116 10.224 -1.890 1.00 0.00 C ATOM 413 OG1 THR A 30 1.399 11.382 -2.279 1.00 0.00 O ATOM 414 CG2 THR A 30 3.592 10.528 -2.032 1.00 0.00 C ATOM 0 H THR A 30 0.588 10.134 -4.109 1.00 0.00 H new ATOM 0 HA THR A 30 2.491 8.299 -2.769 1.00 0.00 H new ATOM 0 HB THR A 30 1.914 9.965 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.699 12.147 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.844 11.400 -1.429 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.174 9.671 -1.692 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.823 10.732 -3.078 1.00 0.00 H new ATOM 422 N GLY A 31 0.794 7.343 -1.175 1.00 0.00 N ATOM 423 CA GLY A 31 -0.250 6.625 -0.465 1.00 0.00 C ATOM 424 C GLY A 31 0.252 5.991 0.816 1.00 0.00 C ATOM 425 O GLY A 31 1.452 5.776 0.983 1.00 0.00 O ATOM 0 H GLY A 31 1.743 7.029 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.065 7.311 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.660 5.851 -1.114 1.00 0.00 H new ATOM 429 N THR A 32 -0.672 5.688 1.724 1.00 0.00 N ATOM 430 CA THR A 32 -0.318 5.073 2.998 1.00 0.00 C ATOM 431 C THR A 32 -0.584 3.571 2.971 1.00 0.00 C ATOM 432 O THR A 32 -1.637 3.126 2.513 1.00 0.00 O ATOM 433 CB THR A 32 -1.107 5.721 4.137 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.334 7.093 3.871 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.413 5.621 5.478 1.00 0.00 C ATOM 0 H THR A 32 -1.670 5.858 1.601 1.00 0.00 H new ATOM 0 HA THR A 32 0.747 5.232 3.166 1.00 0.00 H new ATOM 0 HB THR A 32 -2.045 5.169 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.841 7.490 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.026 6.100 6.241 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.268 4.572 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.555 6.119 5.425 1.00 0.00 H new ATOM 443 N LEU A 33 0.377 2.795 3.462 1.00 0.00 N ATOM 444 CA LEU A 33 0.245 1.343 3.493 1.00 0.00 C ATOM 445 C LEU A 33 -0.765 0.911 4.551 1.00 0.00 C ATOM 446 O LEU A 33 -0.831 1.492 5.634 1.00 0.00 O ATOM 447 CB LEU A 33 1.602 0.694 3.770 1.00 0.00 C ATOM 448 CG LEU A 33 1.730 -0.760 3.311 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.892 -0.831 1.801 1.00 0.00 C ATOM 450 CD2 LEU A 33 2.901 -1.436 4.007 1.00 0.00 C ATOM 0 H LEU A 33 1.255 3.147 3.844 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.115 1.014 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.377 1.283 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.798 0.739 4.841 1.00 0.00 H new ATOM 0 HG LEU A 33 0.816 -1.289 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.982 -1.873 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.022 -0.384 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.789 -0.287 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.978 -2.469 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.823 -0.906 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.743 -1.418 5.085 1.00 0.00 H new ATOM 462 N ARG A 34 -1.549 -0.113 4.230 1.00 0.00 N ATOM 463 CA ARG A 34 -2.555 -0.624 5.155 1.00 0.00 C ATOM 464 C ARG A 34 -2.443 -2.139 5.299 1.00 0.00 C ATOM 465 O ARG A 34 -2.473 -2.669 6.410 1.00 0.00 O ATOM 466 CB ARG A 34 -3.958 -0.249 4.672 1.00 0.00 C ATOM 467 CG ARG A 34 -4.106 1.221 4.316 1.00 0.00 C ATOM 468 CD ARG A 34 -4.786 2.000 5.431 1.00 0.00 C ATOM 469 NE ARG A 34 -3.904 2.193 6.581 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.105 3.111 7.523 1.00 0.00 C ATOM 471 NH1 ARG A 34 -5.154 3.922 7.457 1.00 0.00 N ATOM 472 NH2 ARG A 34 -3.255 3.219 8.534 1.00 0.00 N ATOM 0 H ARG A 34 -1.507 -0.605 3.337 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.380 -0.170 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.206 -0.852 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.680 -0.501 5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.123 1.649 4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.686 1.317 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.106 2.971 5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.684 1.470 5.748 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.087 1.589 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.811 3.843 6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.303 4.624 8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.447 2.599 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.409 3.923 9.256 1.00 0.00 H new ATOM 486 N PHE A 35 -2.313 -2.828 4.170 1.00 0.00 N ATOM 487 CA PHE A 35 -2.197 -4.282 4.172 1.00 0.00 C ATOM 488 C PHE A 35 -1.137 -4.744 3.178 1.00 0.00 C ATOM 489 O PHE A 35 -0.895 -4.089 2.165 1.00 0.00 O ATOM 490 CB PHE A 35 -3.545 -4.922 3.835 1.00 0.00 C ATOM 491 CG PHE A 35 -3.525 -6.423 3.877 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.134 -7.091 5.026 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.898 -7.166 2.769 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.115 -8.472 5.070 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.881 -8.547 2.806 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.489 -9.201 3.958 1.00 0.00 C ATOM 0 H PHE A 35 -2.285 -2.404 3.243 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.894 -4.597 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.296 -4.557 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.853 -4.599 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.840 -6.525 5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.206 -6.660 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.808 -8.980 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.174 -9.115 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.475 -10.280 3.989 1.00 0.00 H new ATOM 506 N CYS A 36 -0.508 -5.877 3.474 1.00 0.00 N ATOM 507 CA CYS A 36 0.526 -6.426 2.605 1.00 0.00 C ATOM 508 C CYS A 36 0.517 -7.950 2.645 1.00 0.00 C ATOM 509 O CYS A 36 0.323 -8.553 3.701 1.00 0.00 O ATOM 510 CB CYS A 36 1.902 -5.901 3.021 1.00 0.00 C ATOM 511 SG CYS A 36 3.260 -6.489 1.982 1.00 0.00 S ATOM 0 H CYS A 36 -0.696 -6.432 4.309 1.00 0.00 H new ATOM 0 HA CYS A 36 0.316 -6.106 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.886 -4.811 2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.095 -6.195 4.053 1.00 0.00 H new ATOM 0 HG CYS A 36 4.381 -5.990 2.410 1.00 0.00 H new ATOM 517 N GLY A 37 0.730 -8.568 1.488 1.00 0.00 N ATOM 518 CA GLY A 37 0.742 -10.017 1.411 1.00 0.00 C ATOM 519 C GLY A 37 -0.063 -10.544 0.239 1.00 0.00 C ATOM 520 O GLY A 37 0.091 -10.074 -0.889 1.00 0.00 O ATOM 0 H GLY A 37 0.895 -8.091 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.772 -10.364 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.342 -10.430 2.337 1.00 0.00 H new ATOM 524 N THR A 38 -0.923 -11.520 0.505 1.00 0.00 N ATOM 525 CA THR A 38 -1.755 -12.112 -0.535 1.00 0.00 C ATOM 526 C THR A 38 -3.221 -11.743 -0.335 1.00 0.00 C ATOM 527 O THR A 38 -3.735 -11.784 0.783 1.00 0.00 O ATOM 528 CB THR A 38 -1.597 -13.633 -0.540 1.00 0.00 C ATOM 529 OG1 THR A 38 -1.542 -14.136 0.784 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.351 -14.102 -1.261 1.00 0.00 C ATOM 0 H THR A 38 -1.062 -11.919 1.434 1.00 0.00 H new ATOM 0 HA THR A 38 -1.427 -11.716 -1.496 1.00 0.00 H new ATOM 0 HB THR A 38 -2.470 -14.013 -1.071 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.443 -15.111 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.299 -15.190 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.385 -13.772 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.530 -13.682 -0.776 1.00 0.00 H new ATOM 538 N THR A 39 -3.890 -11.381 -1.425 1.00 0.00 N ATOM 539 CA THR A 39 -5.297 -11.003 -1.369 1.00 0.00 C ATOM 540 C THR A 39 -6.191 -12.185 -1.732 1.00 0.00 C ATOM 541 O THR A 39 -5.705 -13.278 -2.021 1.00 0.00 O ATOM 542 CB THR A 39 -5.571 -9.833 -2.313 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.821 -9.964 -3.507 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.240 -8.486 -1.708 1.00 0.00 C ATOM 0 H THR A 39 -3.480 -11.342 -2.358 1.00 0.00 H new ATOM 0 HA THR A 39 -5.525 -10.697 -0.348 1.00 0.00 H new ATOM 0 HB THR A 39 -6.642 -9.870 -2.514 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.953 -10.861 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.458 -7.699 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.841 -8.332 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.183 -8.455 -1.445 1.00 0.00 H new ATOM 552 N GLU A 40 -7.500 -11.957 -1.717 1.00 0.00 N ATOM 553 CA GLU A 40 -8.463 -13.002 -2.045 1.00 0.00 C ATOM 554 C GLU A 40 -8.959 -12.852 -3.480 1.00 0.00 C ATOM 555 O GLU A 40 -9.051 -13.831 -4.220 1.00 0.00 O ATOM 556 CB GLU A 40 -9.646 -12.957 -1.077 1.00 0.00 C ATOM 557 CG GLU A 40 -9.414 -13.743 0.204 1.00 0.00 C ATOM 558 CD GLU A 40 -10.709 -14.187 0.856 1.00 0.00 C ATOM 559 OE1 GLU A 40 -11.281 -15.202 0.408 1.00 0.00 O ATOM 560 OE2 GLU A 40 -11.148 -13.522 1.817 1.00 0.00 O ATOM 0 H GLU A 40 -7.919 -11.057 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.963 -13.966 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.858 -11.918 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.531 -13.349 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.803 -14.619 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.850 -13.129 0.906 1.00 0.00 H new ATOM 567 N PHE A 41 -9.277 -11.621 -3.865 1.00 0.00 N ATOM 568 CA PHE A 41 -9.764 -11.342 -5.210 1.00 0.00 C ATOM 569 C PHE A 41 -8.713 -11.704 -6.255 1.00 0.00 C ATOM 570 O PHE A 41 -9.046 -12.098 -7.373 1.00 0.00 O ATOM 571 CB PHE A 41 -10.142 -9.866 -5.342 1.00 0.00 C ATOM 572 CG PHE A 41 -9.003 -8.927 -5.067 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.752 -8.480 -3.779 1.00 0.00 C ATOM 574 CD2 PHE A 41 -8.182 -8.493 -6.095 1.00 0.00 C ATOM 575 CE1 PHE A 41 -7.704 -7.617 -3.523 1.00 0.00 C ATOM 576 CE2 PHE A 41 -7.132 -7.629 -5.844 1.00 0.00 C ATOM 577 CZ PHE A 41 -6.893 -7.190 -4.556 1.00 0.00 C ATOM 0 H PHE A 41 -9.206 -10.800 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.649 -11.954 -5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.517 -9.684 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.958 -9.646 -4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.383 -8.810 -2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.364 -8.833 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.519 -7.276 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.499 -7.298 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.074 -6.515 -4.358 1.00 0.00 H new ATOM 587 N ALA A 42 -7.445 -11.568 -5.882 1.00 0.00 N ATOM 588 CA ALA A 42 -6.345 -11.881 -6.787 1.00 0.00 C ATOM 589 C ALA A 42 -5.260 -12.684 -6.077 1.00 0.00 C ATOM 590 O ALA A 42 -5.086 -12.572 -4.863 1.00 0.00 O ATOM 591 CB ALA A 42 -5.763 -10.601 -7.370 1.00 0.00 C ATOM 0 H ALA A 42 -7.154 -11.243 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.737 -12.492 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.943 -10.848 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.537 -10.067 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.392 -9.970 -6.563 1.00 0.00 H new ATOM 597 N SER A 43 -4.534 -13.493 -6.841 1.00 0.00 N ATOM 598 CA SER A 43 -3.465 -14.314 -6.285 1.00 0.00 C ATOM 599 C SER A 43 -2.097 -13.748 -6.650 1.00 0.00 C ATOM 600 O SER A 43 -1.776 -13.585 -7.828 1.00 0.00 O ATOM 601 CB SER A 43 -3.586 -15.754 -6.787 1.00 0.00 C ATOM 602 OG SER A 43 -4.222 -15.801 -8.053 1.00 0.00 O ATOM 0 H SER A 43 -4.666 -13.598 -7.847 1.00 0.00 H new ATOM 0 HA SER A 43 -3.562 -14.306 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.595 -16.202 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.154 -16.346 -6.069 1.00 0.00 H new ATOM 0 HG SER A 43 -4.286 -16.732 -8.353 1.00 0.00 H new ATOM 608 N GLY A 44 -1.294 -13.451 -5.634 1.00 0.00 N ATOM 609 CA GLY A 44 0.030 -12.906 -5.870 1.00 0.00 C ATOM 610 C GLY A 44 0.383 -11.797 -4.899 1.00 0.00 C ATOM 611 O GLY A 44 -0.233 -11.670 -3.841 1.00 0.00 O ATOM 0 H GLY A 44 -1.536 -13.578 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.768 -13.704 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.086 -12.523 -6.889 1.00 0.00 H new ATOM 615 N GLN A 45 1.379 -10.995 -5.259 1.00 0.00 N ATOM 616 CA GLN A 45 1.815 -9.891 -4.411 1.00 0.00 C ATOM 617 C GLN A 45 0.857 -8.708 -4.520 1.00 0.00 C ATOM 618 O GLN A 45 0.703 -8.117 -5.589 1.00 0.00 O ATOM 619 CB GLN A 45 3.230 -9.453 -4.795 1.00 0.00 C ATOM 620 CG GLN A 45 4.317 -10.102 -3.953 1.00 0.00 C ATOM 621 CD GLN A 45 5.126 -11.123 -4.728 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.206 -11.066 -5.956 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.732 -12.065 -4.014 1.00 0.00 N ATOM 0 H GLN A 45 1.899 -11.088 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 45 1.817 -10.239 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.403 -9.692 -5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.305 -8.370 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.985 -9.330 -3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.861 -10.586 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.639 -12.074 -2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.291 -12.779 -4.481 1.00 0.00 H new ATOM 632 N TRP A 46 0.214 -8.370 -3.407 1.00 0.00 N ATOM 633 CA TRP A 46 -0.730 -7.258 -3.377 1.00 0.00 C ATOM 634 C TRP A 46 -0.633 -6.499 -2.058 1.00 0.00 C ATOM 635 O TRP A 46 -0.367 -7.087 -1.009 1.00 0.00 O ATOM 636 CB TRP A 46 -2.157 -7.767 -3.583 1.00 0.00 C ATOM 637 CG TRP A 46 -2.364 -8.441 -4.905 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.313 -9.782 -5.158 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.655 -7.806 -6.155 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.554 -10.019 -6.490 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.767 -8.823 -7.123 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.832 -6.476 -6.550 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.048 -8.550 -8.460 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.111 -6.209 -7.878 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.217 -7.241 -8.818 1.00 0.00 C ATOM 0 H TRP A 46 0.329 -8.850 -2.514 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.476 -6.575 -4.188 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.404 -8.467 -2.784 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.849 -6.929 -3.498 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.113 -10.544 -4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.571 -10.937 -6.935 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.752 -5.673 -5.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.129 -9.344 -9.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.250 -5.186 -8.196 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.437 -6.998 -9.847 1.00 0.00 H new ATOM 656 N VAL A 47 -0.851 -5.189 -2.117 1.00 0.00 N ATOM 657 CA VAL A 47 -0.789 -4.350 -0.927 1.00 0.00 C ATOM 658 C VAL A 47 -1.841 -3.246 -0.977 1.00 0.00 C ATOM 659 O VAL A 47 -2.045 -2.617 -2.014 1.00 0.00 O ATOM 660 CB VAL A 47 0.601 -3.707 -0.762 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.608 -4.732 -0.264 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.064 -3.089 -2.074 1.00 0.00 C ATOM 0 H VAL A 47 -1.072 -4.686 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.985 -5.000 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 47 0.527 -2.913 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.584 -4.259 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.283 -5.123 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.680 -5.550 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.048 -2.640 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.121 -3.862 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.355 -2.322 -2.385 1.00 0.00 H new ATOM 672 N GLY A 48 -2.504 -3.018 0.151 1.00 0.00 N ATOM 673 CA GLY A 48 -3.526 -1.989 0.215 1.00 0.00 C ATOM 674 C GLY A 48 -2.958 -0.629 0.568 1.00 0.00 C ATOM 675 O GLY A 48 -2.430 -0.433 1.663 1.00 0.00 O ATOM 0 H GLY A 48 -2.353 -3.527 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.036 -1.928 -0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.274 -2.270 0.956 1.00 0.00 H new ATOM 679 N VAL A 49 -3.065 0.314 -0.364 1.00 0.00 N ATOM 680 CA VAL A 49 -2.557 1.663 -0.146 1.00 0.00 C ATOM 681 C VAL A 49 -3.672 2.695 -0.266 1.00 0.00 C ATOM 682 O VAL A 49 -4.602 2.531 -1.058 1.00 0.00 O ATOM 683 CB VAL A 49 -1.440 2.013 -1.149 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.812 3.355 -0.805 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.386 0.915 -1.182 1.00 0.00 C ATOM 0 H VAL A 49 -3.498 0.168 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.148 1.687 0.864 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.882 2.090 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.026 3.584 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.574 4.133 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.385 3.311 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.394 1.181 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.053 0.802 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.849 -0.025 -1.483 1.00 0.00 H new ATOM 695 N GLU A 50 -3.575 3.759 0.524 1.00 0.00 N ATOM 696 CA GLU A 50 -4.575 4.821 0.505 1.00 0.00 C ATOM 697 C GLU A 50 -4.047 6.052 -0.224 1.00 0.00 C ATOM 698 O GLU A 50 -3.158 6.745 0.273 1.00 0.00 O ATOM 699 CB GLU A 50 -4.984 5.189 1.935 1.00 0.00 C ATOM 700 CG GLU A 50 -6.419 4.819 2.270 1.00 0.00 C ATOM 701 CD GLU A 50 -6.824 5.257 3.665 1.00 0.00 C ATOM 702 OE1 GLU A 50 -7.108 6.459 3.850 1.00 0.00 O ATOM 703 OE2 GLU A 50 -6.854 4.398 4.571 1.00 0.00 O ATOM 0 H GLU A 50 -2.814 3.909 1.186 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.451 4.455 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.315 4.689 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.851 6.261 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.088 5.276 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.542 3.740 2.182 1.00 0.00 H new ATOM 710 N LEU A 51 -4.599 6.318 -1.402 1.00 0.00 N ATOM 711 CA LEU A 51 -4.183 7.466 -2.200 1.00 0.00 C ATOM 712 C LEU A 51 -4.408 8.769 -1.439 1.00 0.00 C ATOM 713 O LEU A 51 -5.471 8.984 -0.859 1.00 0.00 O ATOM 714 CB LEU A 51 -4.947 7.497 -3.525 1.00 0.00 C ATOM 715 CG LEU A 51 -4.478 6.477 -4.566 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.533 6.295 -5.646 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.155 6.911 -5.177 1.00 0.00 C ATOM 0 H LEU A 51 -5.336 5.754 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.117 7.366 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.004 7.326 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.862 8.496 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.328 5.519 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.183 5.567 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.459 5.939 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.714 7.249 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.836 6.175 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.278 7.880 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.401 6.990 -4.394 1.00 0.00 H new ATOM 729 N ASP A 52 -3.399 9.635 -1.448 1.00 0.00 N ATOM 730 CA ASP A 52 -3.486 10.918 -0.760 1.00 0.00 C ATOM 731 C ASP A 52 -4.642 11.751 -1.306 1.00 0.00 C ATOM 732 O ASP A 52 -5.496 12.215 -0.551 1.00 0.00 O ATOM 733 CB ASP A 52 -2.173 11.690 -0.907 1.00 0.00 C ATOM 734 CG ASP A 52 -1.991 12.732 0.177 1.00 0.00 C ATOM 735 OD1 ASP A 52 -2.928 13.529 0.399 1.00 0.00 O ATOM 736 OD2 ASP A 52 -0.911 12.754 0.805 1.00 0.00 O ATOM 0 H ASP A 52 -2.512 9.471 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.669 10.723 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.338 10.990 -0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.148 12.176 -1.882 1.00 0.00 H new ATOM 741 N GLU A 53 -4.661 11.935 -2.622 1.00 0.00 N ATOM 742 CA GLU A 53 -5.713 12.711 -3.269 1.00 0.00 C ATOM 743 C GLU A 53 -7.060 12.003 -3.154 1.00 0.00 C ATOM 744 O GLU A 53 -7.120 10.779 -3.032 1.00 0.00 O ATOM 745 CB GLU A 53 -5.371 12.944 -4.743 1.00 0.00 C ATOM 746 CG GLU A 53 -3.928 13.363 -4.975 1.00 0.00 C ATOM 747 CD GLU A 53 -3.094 12.261 -5.600 1.00 0.00 C ATOM 748 OE1 GLU A 53 -3.557 11.655 -6.589 1.00 0.00 O ATOM 749 OE2 GLU A 53 -1.978 12.006 -5.101 1.00 0.00 O ATOM 0 H GLU A 53 -3.961 11.558 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.784 13.674 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.569 12.030 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.032 13.712 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.908 14.240 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.482 13.657 -4.025 1.00 0.00 H new ATOM 756 N PRO A 54 -8.165 12.768 -3.189 1.00 0.00 N ATOM 757 CA PRO A 54 -9.517 12.206 -3.086 1.00 0.00 C ATOM 758 C PRO A 54 -9.904 11.400 -4.323 1.00 0.00 C ATOM 759 O PRO A 54 -10.839 11.755 -5.041 1.00 0.00 O ATOM 760 CB PRO A 54 -10.408 13.443 -2.950 1.00 0.00 C ATOM 761 CG PRO A 54 -9.633 14.541 -3.595 1.00 0.00 C ATOM 762 CD PRO A 54 -8.186 14.236 -3.331 1.00 0.00 C ATOM 0 HA PRO A 54 -9.607 11.509 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.369 13.295 -3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.617 13.667 -1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.834 14.584 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.910 15.510 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.549 14.569 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.829 14.732 -2.428 1.00 0.00 H new ATOM 770 N GLU A 55 -9.177 10.313 -4.565 1.00 0.00 N ATOM 771 CA GLU A 55 -9.445 9.456 -5.713 1.00 0.00 C ATOM 772 C GLU A 55 -9.124 7.999 -5.391 1.00 0.00 C ATOM 773 O GLU A 55 -8.238 7.713 -4.587 1.00 0.00 O ATOM 774 CB GLU A 55 -8.627 9.918 -6.922 1.00 0.00 C ATOM 775 CG GLU A 55 -9.418 9.937 -8.220 1.00 0.00 C ATOM 776 CD GLU A 55 -8.971 11.041 -9.158 1.00 0.00 C ATOM 777 OE1 GLU A 55 -7.756 11.133 -9.432 1.00 0.00 O ATOM 778 OE2 GLU A 55 -9.837 11.813 -9.619 1.00 0.00 O ATOM 0 H GLU A 55 -8.399 10.006 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.506 9.530 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.240 10.918 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.766 9.260 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.311 8.975 -8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.477 10.063 -7.994 1.00 0.00 H new ATOM 785 N GLY A 56 -9.851 7.084 -6.024 1.00 0.00 N ATOM 786 CA GLY A 56 -9.628 5.670 -5.791 1.00 0.00 C ATOM 787 C GLY A 56 -10.736 4.805 -6.357 1.00 0.00 C ATOM 788 O GLY A 56 -11.279 5.099 -7.423 1.00 0.00 O ATOM 0 H GLY A 56 -10.590 7.297 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.678 5.377 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.544 5.491 -4.719 1.00 0.00 H new ATOM 792 N LYS A 57 -11.071 3.734 -5.646 1.00 0.00 N ATOM 793 CA LYS A 57 -12.122 2.823 -6.085 1.00 0.00 C ATOM 794 C LYS A 57 -12.636 1.982 -4.919 1.00 0.00 C ATOM 795 O LYS A 57 -13.844 1.834 -4.735 1.00 0.00 O ATOM 796 CB LYS A 57 -11.601 1.909 -7.196 1.00 0.00 C ATOM 797 CG LYS A 57 -10.273 1.249 -6.867 1.00 0.00 C ATOM 798 CD LYS A 57 -9.405 1.095 -8.106 1.00 0.00 C ATOM 799 CE LYS A 57 -8.545 -0.155 -8.032 1.00 0.00 C ATOM 800 NZ LYS A 57 -9.275 -1.361 -8.514 1.00 0.00 N ATOM 0 H LYS A 57 -10.630 3.475 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.948 3.420 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.342 1.135 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.492 2.490 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.744 1.844 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.452 0.270 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.038 1.050 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.766 1.971 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.645 -0.012 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.222 -0.313 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.654 -2.192 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.120 -1.512 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.561 -1.221 -9.504 1.00 0.00 H new ATOM 814 N ASN A 58 -11.711 1.435 -4.138 1.00 0.00 N ATOM 815 CA ASN A 58 -12.070 0.610 -2.991 1.00 0.00 C ATOM 816 C ASN A 58 -12.157 1.451 -1.721 1.00 0.00 C ATOM 817 O ASN A 58 -11.305 2.303 -1.469 1.00 0.00 O ATOM 818 CB ASN A 58 -11.048 -0.513 -2.804 1.00 0.00 C ATOM 819 CG ASN A 58 -11.117 -1.546 -3.910 1.00 0.00 C ATOM 820 OD1 ASN A 58 -11.992 -2.411 -3.915 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.189 -1.462 -4.857 1.00 0.00 N ATOM 0 H ASN A 58 -10.707 1.548 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.050 0.172 -3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.045 -0.087 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.219 -1.000 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.184 -2.131 -5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.481 -0.729 -4.814 1.00 0.00 H new ATOM 828 N ASP A 59 -13.192 1.205 -0.924 1.00 0.00 N ATOM 829 CA ASP A 59 -13.390 1.940 0.320 1.00 0.00 C ATOM 830 C ASP A 59 -12.900 1.128 1.515 1.00 0.00 C ATOM 831 O ASP A 59 -13.438 1.240 2.616 1.00 0.00 O ATOM 832 CB ASP A 59 -14.867 2.292 0.500 1.00 0.00 C ATOM 833 CG ASP A 59 -15.753 1.063 0.552 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.437 0.074 -0.142 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.762 1.089 1.287 1.00 0.00 O ATOM 0 H ASP A 59 -13.906 0.503 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.809 2.860 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.992 2.865 1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.187 2.933 -0.321 1.00 0.00 H new ATOM 840 N GLY A 60 -11.875 0.312 1.289 1.00 0.00 N ATOM 841 CA GLY A 60 -11.330 -0.506 2.357 1.00 0.00 C ATOM 842 C GLY A 60 -12.153 -1.755 2.609 1.00 0.00 C ATOM 843 O GLY A 60 -12.183 -2.271 3.726 1.00 0.00 O ATOM 0 H GLY A 60 -11.413 0.203 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.309 -0.792 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.280 0.083 3.273 1.00 0.00 H new ATOM 847 N SER A 61 -12.820 -2.242 1.568 1.00 0.00 N ATOM 848 CA SER A 61 -13.647 -3.438 1.682 1.00 0.00 C ATOM 849 C SER A 61 -13.812 -4.117 0.327 1.00 0.00 C ATOM 850 O SER A 61 -14.239 -3.492 -0.644 1.00 0.00 O ATOM 851 CB SER A 61 -15.019 -3.083 2.258 1.00 0.00 C ATOM 852 OG SER A 61 -14.950 -1.914 3.058 1.00 0.00 O ATOM 0 H SER A 61 -12.804 -1.827 0.636 1.00 0.00 H new ATOM 0 HA SER A 61 -13.146 -4.132 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.729 -2.930 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.392 -3.915 2.855 1.00 0.00 H new ATOM 0 HG SER A 61 -15.840 -1.708 3.413 1.00 0.00 H new ATOM 858 N VAL A 62 -13.470 -5.400 0.267 1.00 0.00 N ATOM 859 CA VAL A 62 -13.581 -6.164 -0.969 1.00 0.00 C ATOM 860 C VAL A 62 -14.204 -7.532 -0.716 1.00 0.00 C ATOM 861 O VAL A 62 -13.617 -8.378 -0.040 1.00 0.00 O ATOM 862 CB VAL A 62 -12.206 -6.355 -1.636 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.363 -6.974 -3.017 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.464 -5.029 -1.720 1.00 0.00 C ATOM 0 H VAL A 62 -13.114 -5.932 1.061 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.225 -5.592 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.617 -7.037 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.381 -7.101 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.850 -7.945 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.971 -6.320 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.495 -5.184 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.048 -4.322 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.317 -4.630 -0.716 1.00 0.00 H new ATOM 874 N GLY A 63 -15.397 -7.744 -1.263 1.00 0.00 N ATOM 875 CA GLY A 63 -16.079 -9.012 -1.085 1.00 0.00 C ATOM 876 C GLY A 63 -16.344 -9.329 0.374 1.00 0.00 C ATOM 877 O GLY A 63 -16.364 -10.494 0.769 1.00 0.00 O ATOM 0 H GLY A 63 -15.903 -7.060 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.025 -8.991 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.478 -9.809 -1.523 1.00 0.00 H new ATOM 881 N GLY A 64 -16.546 -8.288 1.176 1.00 0.00 N ATOM 882 CA GLY A 64 -16.808 -8.482 2.591 1.00 0.00 C ATOM 883 C GLY A 64 -15.558 -8.337 3.437 1.00 0.00 C ATOM 884 O GLY A 64 -15.632 -7.946 4.602 1.00 0.00 O ATOM 0 H GLY A 64 -16.533 -7.314 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.553 -7.759 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.235 -9.473 2.746 1.00 0.00 H new ATOM 888 N VAL A 65 -14.408 -8.654 2.852 1.00 0.00 N ATOM 889 CA VAL A 65 -13.138 -8.557 3.560 1.00 0.00 C ATOM 890 C VAL A 65 -12.703 -7.105 3.713 1.00 0.00 C ATOM 891 O VAL A 65 -12.396 -6.431 2.729 1.00 0.00 O ATOM 892 CB VAL A 65 -12.028 -9.339 2.832 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.768 -9.395 3.681 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.505 -10.740 2.479 1.00 0.00 C ATOM 0 H VAL A 65 -14.330 -8.980 1.889 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.293 -8.993 4.547 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.790 -8.817 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.996 -9.951 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.416 -8.382 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.988 -9.892 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.708 -11.277 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.773 -11.274 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.376 -10.674 1.827 1.00 0.00 H new ATOM 904 N ARG A 66 -12.678 -6.627 4.954 1.00 0.00 N ATOM 905 CA ARG A 66 -12.280 -5.253 5.236 1.00 0.00 C ATOM 906 C ARG A 66 -10.773 -5.155 5.443 1.00 0.00 C ATOM 907 O ARG A 66 -10.198 -5.890 6.247 1.00 0.00 O ATOM 908 CB ARG A 66 -13.013 -4.732 6.473 1.00 0.00 C ATOM 909 CG ARG A 66 -13.322 -3.244 6.415 1.00 0.00 C ATOM 910 CD ARG A 66 -13.639 -2.688 7.795 1.00 0.00 C ATOM 911 NE ARG A 66 -14.632 -3.498 8.497 1.00 0.00 N ATOM 912 CZ ARG A 66 -15.938 -3.448 8.250 1.00 0.00 C ATOM 913 NH1 ARG A 66 -16.414 -2.629 7.320 1.00 0.00 N ATOM 914 NH2 ARG A 66 -16.772 -4.219 8.935 1.00 0.00 N ATOM 0 H ARG A 66 -12.929 -7.171 5.779 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.550 -4.639 4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.945 -5.284 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.407 -4.935 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.470 -2.710 5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.168 -3.072 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.724 -2.643 8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.007 -1.667 7.698 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.304 -4.140 9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.777 -2.034 6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.417 -2.595 7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.412 -4.850 9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.774 -4.181 8.746 1.00 0.00 H new ATOM 928 N TYR A 67 -10.137 -4.245 4.714 1.00 0.00 N ATOM 929 CA TYR A 67 -8.695 -4.051 4.817 1.00 0.00 C ATOM 930 C TYR A 67 -8.370 -2.813 5.647 1.00 0.00 C ATOM 931 O TYR A 67 -7.345 -2.761 6.326 1.00 0.00 O ATOM 932 CB TYR A 67 -8.075 -3.923 3.424 1.00 0.00 C ATOM 933 CG TYR A 67 -8.416 -5.071 2.501 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.701 -5.225 1.996 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.451 -6.001 2.135 1.00 0.00 C ATOM 936 CE1 TYR A 67 -10.015 -6.273 1.152 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.758 -7.052 1.291 1.00 0.00 C ATOM 938 CZ TYR A 67 -9.040 -7.184 0.803 1.00 0.00 C ATOM 939 OH TYR A 67 -9.349 -8.229 -0.037 1.00 0.00 O ATOM 0 H TYR A 67 -10.598 -3.629 4.044 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.272 -4.922 5.317 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.411 -2.991 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.991 -3.857 3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.467 -4.514 2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.445 -5.901 2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.019 -6.378 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.996 -7.766 1.015 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.550 -8.778 -0.184 1.00 0.00 H new ATOM 949 N PHE A 68 -9.249 -1.819 5.586 1.00 0.00 N ATOM 950 CA PHE A 68 -9.056 -0.580 6.331 1.00 0.00 C ATOM 951 C PHE A 68 -10.270 0.333 6.194 1.00 0.00 C ATOM 952 O PHE A 68 -11.235 -0.001 5.505 1.00 0.00 O ATOM 953 CB PHE A 68 -7.800 0.144 5.842 1.00 0.00 C ATOM 954 CG PHE A 68 -7.674 0.185 4.345 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.044 -0.843 3.662 1.00 0.00 C ATOM 956 CD2 PHE A 68 -8.187 1.250 3.623 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.927 -0.809 2.285 1.00 0.00 C ATOM 958 CE2 PHE A 68 -8.073 1.289 2.246 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.442 0.259 1.577 1.00 0.00 C ATOM 0 H PHE A 68 -10.103 -1.847 5.028 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.933 -0.834 7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.806 1.164 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.921 -0.348 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.640 -1.680 4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.681 2.058 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.434 -1.616 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.477 2.125 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.351 0.289 0.501 1.00 0.00 H new ATOM 969 N ILE A 69 -10.215 1.486 6.852 1.00 0.00 N ATOM 970 CA ILE A 69 -11.310 2.447 6.801 1.00 0.00 C ATOM 971 C ILE A 69 -10.875 3.742 6.124 1.00 0.00 C ATOM 972 O ILE A 69 -10.196 4.572 6.728 1.00 0.00 O ATOM 973 CB ILE A 69 -11.839 2.772 8.212 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.096 1.484 8.994 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.106 3.608 8.123 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.585 1.721 10.406 1.00 0.00 C ATOM 0 H ILE A 69 -9.424 1.777 7.427 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.108 1.986 6.219 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.083 3.350 8.743 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.833 0.885 8.459 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.176 0.901 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.467 3.829 9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.891 4.540 7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.870 3.054 7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.746 0.763 10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.840 2.294 10.958 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.522 2.277 10.378 1.00 0.00 H new ATOM 988 N CYS A 70 -11.270 3.907 4.866 1.00 0.00 N ATOM 989 CA CYS A 70 -10.922 5.102 4.104 1.00 0.00 C ATOM 990 C CYS A 70 -12.176 5.788 3.566 1.00 0.00 C ATOM 991 O CYS A 70 -13.209 5.147 3.374 1.00 0.00 O ATOM 992 CB CYS A 70 -9.990 4.738 2.948 1.00 0.00 C ATOM 993 SG CYS A 70 -10.714 3.599 1.745 1.00 0.00 S ATOM 0 H CYS A 70 -11.832 3.228 4.352 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.409 5.794 4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.693 5.652 2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.082 4.292 3.354 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.167 2.427 1.873 1.00 0.00 H new ATOM 999 N PRO A 71 -12.100 7.106 3.313 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.235 7.876 2.793 1.00 0.00 C ATOM 1001 C PRO A 71 -13.689 7.380 1.422 1.00 0.00 C ATOM 1002 O PRO A 71 -13.082 6.476 0.848 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.692 9.307 2.691 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.208 9.160 2.678 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.908 7.948 3.510 1.00 0.00 C ATOM 0 HA PRO A 71 -14.111 7.788 3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.047 9.800 1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.021 9.914 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.836 9.037 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.724 10.046 3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.000 7.445 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.764 8.205 4.560 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.771 7.966 0.879 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.306 7.576 -0.430 1.00 0.00 C ATOM 1015 C PRO A 72 -14.232 7.548 -1.513 1.00 0.00 C ATOM 1016 O PRO A 72 -13.695 8.586 -1.896 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.338 8.666 -0.729 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.766 9.157 0.610 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.556 9.051 1.498 1.00 0.00 C ATOM 0 HA PRO A 72 -15.720 6.568 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.905 9.469 -1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.182 8.269 -1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.119 10.187 0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.589 8.559 1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.996 9.986 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.831 8.812 2.525 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.924 6.350 -2.001 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.915 6.184 -3.041 1.00 0.00 C ATOM 1029 C LYS A 73 -11.555 6.685 -2.565 1.00 0.00 C ATOM 1030 O LYS A 73 -11.352 7.885 -2.389 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.332 6.931 -4.308 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.640 6.435 -4.904 1.00 0.00 C ATOM 1033 CD LYS A 73 -14.421 5.748 -6.243 1.00 0.00 C ATOM 1034 CE LYS A 73 -14.768 6.665 -7.404 1.00 0.00 C ATOM 1035 NZ LYS A 73 -13.879 6.439 -8.577 1.00 0.00 N ATOM 0 H LYS A 73 -14.359 5.480 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.832 5.121 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.426 7.993 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.543 6.834 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.116 5.740 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.323 7.275 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.381 5.433 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.032 4.847 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.805 6.502 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.688 7.703 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.718 7.341 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.969 6.054 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.329 5.764 -9.228 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.627 5.756 -2.361 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.285 6.103 -1.908 1.00 0.00 C ATOM 1051 C GLN A 74 -8.402 4.862 -1.824 1.00 0.00 C ATOM 1052 O GLN A 74 -7.224 4.900 -2.182 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.347 6.795 -0.544 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.389 7.969 -0.414 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.098 9.267 -0.078 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.102 9.618 -0.698 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.577 9.987 0.908 1.00 0.00 N ATOM 0 H GLN A 74 -10.780 4.757 -2.502 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.848 6.788 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.364 7.146 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.123 6.066 0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.655 7.750 0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.840 8.090 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.743 9.657 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.010 10.870 1.179 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.977 3.763 -1.347 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.228 2.527 -1.225 1.00 0.00 C ATOM 1068 C GLY A 75 -7.804 1.969 -2.569 1.00 0.00 C ATOM 1069 O GLY A 75 -8.615 1.864 -3.488 1.00 0.00 O ATOM 0 H GLY A 75 -9.949 3.707 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.343 2.701 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.836 1.788 -0.704 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.529 1.611 -2.684 1.00 0.00 N ATOM 1074 CA LEU A 76 -5.999 1.061 -3.927 1.00 0.00 C ATOM 1075 C LEU A 76 -5.105 -0.144 -3.650 1.00 0.00 C ATOM 1076 O LEU A 76 -4.222 -0.092 -2.795 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.212 2.130 -4.686 1.00 0.00 C ATOM 1078 CG LEU A 76 -4.921 1.802 -6.151 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.211 1.504 -6.898 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.171 2.947 -6.816 1.00 0.00 C ATOM 0 H LEU A 76 -5.844 1.692 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.840 0.735 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.767 3.067 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.265 2.296 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.291 0.913 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.984 1.273 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.709 0.651 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.866 2.374 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.973 2.696 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.775 3.853 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.227 3.114 -6.297 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.343 -1.230 -4.379 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.559 -2.448 -4.213 1.00 0.00 C ATOM 1094 C PHE A 77 -3.677 -2.699 -5.432 1.00 0.00 C ATOM 1095 O PHE A 77 -4.165 -2.770 -6.560 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.484 -3.646 -3.983 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.438 -3.455 -2.839 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -5.981 -3.463 -1.531 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.792 -3.271 -3.072 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.857 -3.288 -0.476 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.672 -3.096 -2.021 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.204 -3.104 -0.721 1.00 0.00 C ATOM 0 H PHE A 77 -6.072 -1.291 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.916 -2.321 -3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.053 -3.835 -4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.878 -4.532 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.929 -3.608 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.163 -3.264 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.488 -3.295 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.725 -2.953 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.890 -2.967 0.102 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.376 -2.831 -5.197 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.425 -3.074 -6.275 1.00 0.00 C ATOM 1114 C ALA A 78 -0.274 -3.956 -5.805 1.00 0.00 C ATOM 1115 O ALA A 78 -0.153 -4.254 -4.616 1.00 0.00 O ATOM 1116 CB ALA A 78 -0.893 -1.754 -6.814 1.00 0.00 C ATOM 0 H ALA A 78 -1.956 -2.774 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.947 -3.599 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.184 -1.949 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.721 -1.157 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.393 -1.209 -6.013 1.00 0.00 H new ATOM 1122 N SER A 79 0.567 -4.373 -6.745 1.00 0.00 N ATOM 1123 CA SER A 79 1.709 -5.223 -6.427 1.00 0.00 C ATOM 1124 C SER A 79 2.873 -4.393 -5.897 1.00 0.00 C ATOM 1125 O SER A 79 3.106 -3.272 -6.347 1.00 0.00 O ATOM 1126 CB SER A 79 2.148 -6.008 -7.665 1.00 0.00 C ATOM 1127 OG SER A 79 1.393 -7.199 -7.810 1.00 0.00 O ATOM 0 H SER A 79 0.480 -4.136 -7.733 1.00 0.00 H new ATOM 0 HA SER A 79 1.403 -5.925 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.029 -5.388 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.207 -6.253 -7.587 1.00 0.00 H new ATOM 0 HG SER A 79 1.316 -7.645 -6.941 1.00 0.00 H new ATOM 1133 N VAL A 80 3.603 -4.952 -4.937 1.00 0.00 N ATOM 1134 CA VAL A 80 4.744 -4.264 -4.344 1.00 0.00 C ATOM 1135 C VAL A 80 5.789 -3.919 -5.400 1.00 0.00 C ATOM 1136 O VAL A 80 6.520 -2.937 -5.266 1.00 0.00 O ATOM 1137 CB VAL A 80 5.405 -5.116 -3.244 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.550 -5.122 -1.986 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.648 -6.533 -3.740 1.00 0.00 C ATOM 0 H VAL A 80 3.424 -5.880 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 80 4.362 -3.344 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 80 6.369 -4.672 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.033 -5.729 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.434 -4.102 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.569 -5.540 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.115 -7.120 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.698 -6.989 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.305 -6.507 -4.609 1.00 0.00 H new ATOM 1149 N SER A 81 5.857 -4.732 -6.449 1.00 0.00 N ATOM 1150 CA SER A 81 6.815 -4.511 -7.528 1.00 0.00 C ATOM 1151 C SER A 81 6.610 -3.140 -8.166 1.00 0.00 C ATOM 1152 O SER A 81 7.558 -2.526 -8.655 1.00 0.00 O ATOM 1153 CB SER A 81 6.681 -5.605 -8.588 1.00 0.00 C ATOM 1154 OG SER A 81 6.536 -6.881 -7.989 1.00 0.00 O ATOM 0 H SER A 81 5.261 -5.550 -6.576 1.00 0.00 H new ATOM 0 HA SER A 81 7.818 -4.547 -7.103 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.819 -5.398 -9.222 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.560 -5.600 -9.233 1.00 0.00 H new ATOM 0 HG SER A 81 6.451 -7.563 -8.688 1.00 0.00 H new ATOM 1160 N LYS A 82 5.369 -2.667 -8.157 1.00 0.00 N ATOM 1161 CA LYS A 82 5.042 -1.369 -8.736 1.00 0.00 C ATOM 1162 C LYS A 82 4.834 -0.324 -7.644 1.00 0.00 C ATOM 1163 O LYS A 82 4.047 0.609 -7.807 1.00 0.00 O ATOM 1164 CB LYS A 82 3.786 -1.474 -9.602 1.00 0.00 C ATOM 1165 CG LYS A 82 3.913 -2.474 -10.740 1.00 0.00 C ATOM 1166 CD LYS A 82 2.574 -2.726 -11.415 1.00 0.00 C ATOM 1167 CE LYS A 82 2.702 -2.735 -12.931 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.088 -1.526 -13.546 1.00 0.00 N ATOM 0 H LYS A 82 4.573 -3.162 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 82 5.879 -1.056 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.943 -1.758 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.557 -0.492 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.627 -2.102 -11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.311 -3.414 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.170 -3.681 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.864 -1.956 -11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.755 -2.787 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.223 -3.629 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.196 -1.569 -14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.077 -1.489 -13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.562 -0.674 -13.184 1.00 0.00 H new ATOM 1182 N ILE A 83 5.543 -0.486 -6.533 1.00 0.00 N ATOM 1183 CA ILE A 83 5.435 0.444 -5.415 1.00 0.00 C ATOM 1184 C ILE A 83 6.761 0.565 -4.671 1.00 0.00 C ATOM 1185 O ILE A 83 7.463 -0.425 -4.468 1.00 0.00 O ATOM 1186 CB ILE A 83 4.342 0.006 -4.422 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.042 -0.307 -5.167 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.112 1.086 -3.376 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.924 -0.774 -4.260 1.00 0.00 C ATOM 0 H ILE A 83 6.199 -1.253 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 83 5.166 1.413 -5.836 1.00 0.00 H new ATOM 0 HB ILE A 83 4.675 -0.899 -3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.716 0.584 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.237 -1.075 -5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.337 0.761 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.037 1.265 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.797 2.007 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.034 -0.977 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.231 -1.683 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.701 0.002 -3.528 1.00 0.00 H new ATOM 1201 N SER A 84 7.097 1.786 -4.266 1.00 0.00 N ATOM 1202 CA SER A 84 8.339 2.038 -3.544 1.00 0.00 C ATOM 1203 C SER A 84 8.056 2.597 -2.154 1.00 0.00 C ATOM 1204 O SER A 84 6.901 2.799 -1.778 1.00 0.00 O ATOM 1205 CB SER A 84 9.222 3.011 -4.329 1.00 0.00 C ATOM 1206 OG SER A 84 8.536 4.223 -4.590 1.00 0.00 O ATOM 0 H SER A 84 6.526 2.616 -4.426 1.00 0.00 H new ATOM 0 HA SER A 84 8.865 1.090 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.131 3.218 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.528 2.552 -5.269 1.00 0.00 H new ATOM 0 HG SER A 84 9.121 4.829 -5.091 1.00 0.00 H new ATOM 1212 N LYS A 85 9.119 2.848 -1.395 1.00 0.00 N ATOM 1213 CA LYS A 85 8.985 3.386 -0.046 1.00 0.00 C ATOM 1214 C LYS A 85 9.255 4.887 -0.031 1.00 0.00 C ATOM 1215 O LYS A 85 10.329 5.330 0.377 1.00 0.00 O ATOM 1216 CB LYS A 85 9.944 2.671 0.908 1.00 0.00 C ATOM 1217 CG LYS A 85 11.366 2.576 0.381 1.00 0.00 C ATOM 1218 CD LYS A 85 12.320 2.052 1.444 1.00 0.00 C ATOM 1219 CE LYS A 85 13.016 3.187 2.176 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.369 2.815 3.573 1.00 0.00 N ATOM 0 H LYS A 85 10.082 2.687 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 85 7.961 3.217 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.953 3.197 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.569 1.666 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.390 1.918 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.697 3.559 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.769 1.440 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.065 1.406 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.920 3.466 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.368 4.063 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.842 3.617 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.504 2.573 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.008 1.995 3.563 1.00 0.00 H new ATOM 1234 N ALA A 86 8.274 5.664 -0.478 1.00 0.00 N ATOM 1235 CA ALA A 86 8.406 7.115 -0.516 1.00 0.00 C ATOM 1236 C ALA A 86 8.576 7.690 0.886 1.00 0.00 C ATOM 1237 O ALA A 86 7.993 7.189 1.848 1.00 0.00 O ATOM 1238 CB ALA A 86 7.198 7.736 -1.202 1.00 0.00 C ATOM 0 H ALA A 86 7.379 5.313 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 86 9.301 7.359 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.309 8.820 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.125 7.358 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.294 7.475 -0.653 1.00 0.00 H new