USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 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 -165:sc= -0.0173 (180deg=-0.308) USER MOD Set 1.2: A 45 GLN : amide:sc= -0.0165 X(o=-0.034,f=-0.17) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.32) 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 36 CYS SG : rot 130:sc= -2.59 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -123:sc= -2.15! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.753 K(o=-0.75,f=-2.7) USER MOD Single : A 61 SER OG : rot -10:sc= 0.7 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 90:sc= -0.0164 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.65) 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 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 6.026 -10.413 3.635 1.00 0.00 N ATOM 109 CA MET A 11 6.858 -9.737 2.646 1.00 0.00 C ATOM 110 C MET A 11 7.363 -8.400 3.181 1.00 0.00 C ATOM 111 O MET A 11 8.439 -7.936 2.802 1.00 0.00 O ATOM 112 CB MET A 11 6.072 -9.518 1.352 1.00 0.00 C ATOM 113 CG MET A 11 5.317 -10.751 0.882 1.00 0.00 C ATOM 114 SD MET A 11 6.414 -12.128 0.490 1.00 0.00 S ATOM 115 CE MET A 11 7.226 -11.505 -0.981 1.00 0.00 C ATOM 0 HA MET A 11 7.719 -10.372 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 11 5.363 -8.703 1.501 1.00 0.00 H new ATOM 0 HB3 MET A 11 6.760 -9.203 0.568 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.615 -11.060 1.656 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.728 -10.498 0.000 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.729 -12.325 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.485 -11.062 -1.646 1.00 0.00 H new ATOM 0 HE3 MET A 11 7.959 -10.749 -0.699 1.00 0.00 H new ATOM 125 N LEU A 12 6.581 -7.788 4.064 1.00 0.00 N ATOM 126 CA LEU A 12 6.949 -6.503 4.652 1.00 0.00 C ATOM 127 C LEU A 12 8.292 -6.598 5.370 1.00 0.00 C ATOM 128 O LEU A 12 9.047 -5.628 5.426 1.00 0.00 O ATOM 129 CB LEU A 12 5.868 -6.037 5.629 1.00 0.00 C ATOM 130 CG LEU A 12 4.566 -5.564 4.980 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.556 -5.160 6.044 1.00 0.00 C ATOM 132 CD2 LEU A 12 4.834 -4.406 4.026 1.00 0.00 C ATOM 0 H LEU A 12 5.689 -8.160 4.389 1.00 0.00 H new ATOM 0 HA LEU A 12 7.039 -5.775 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.639 -6.856 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.272 -5.224 6.232 1.00 0.00 H new ATOM 0 HG LEU A 12 4.147 -6.390 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.636 -4.826 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.341 -6.015 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.966 -4.349 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.896 -4.083 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.276 -3.576 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.521 -4.730 3.244 1.00 0.00 H new ATOM 144 N SER A 13 8.581 -7.773 5.919 1.00 0.00 N ATOM 145 CA SER A 13 9.832 -7.995 6.636 1.00 0.00 C ATOM 146 C SER A 13 10.985 -8.217 5.663 1.00 0.00 C ATOM 147 O SER A 13 12.129 -7.863 5.949 1.00 0.00 O ATOM 148 CB SER A 13 9.701 -9.198 7.572 1.00 0.00 C ATOM 149 OG SER A 13 10.403 -8.980 8.784 1.00 0.00 O ATOM 0 H SER A 13 7.966 -8.586 5.881 1.00 0.00 H new ATOM 0 HA SER A 13 10.046 -7.105 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.648 -9.383 7.786 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.088 -10.090 7.079 1.00 0.00 H new ATOM 0 HG SER A 13 10.302 -9.762 9.366 1.00 0.00 H new ATOM 155 N ALA A 14 10.678 -8.808 4.512 1.00 0.00 N ATOM 156 CA ALA A 14 11.689 -9.078 3.498 1.00 0.00 C ATOM 157 C ALA A 14 11.983 -7.832 2.668 1.00 0.00 C ATOM 158 O ALA A 14 13.142 -7.497 2.424 1.00 0.00 O ATOM 159 CB ALA A 14 11.241 -10.220 2.598 1.00 0.00 C ATOM 0 H ALA A 14 9.737 -9.109 4.259 1.00 0.00 H new ATOM 0 HA ALA A 14 12.609 -9.369 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.006 -10.411 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.089 -11.118 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.307 -9.950 2.106 1.00 0.00 H new ATOM 165 N LEU A 15 10.926 -7.151 2.238 1.00 0.00 N ATOM 166 CA LEU A 15 11.071 -5.942 1.436 1.00 0.00 C ATOM 167 C LEU A 15 11.831 -4.866 2.204 1.00 0.00 C ATOM 168 O LEU A 15 12.921 -4.456 1.806 1.00 0.00 O ATOM 169 CB LEU A 15 9.697 -5.413 1.020 1.00 0.00 C ATOM 170 CG LEU A 15 9.003 -6.212 -0.085 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.527 -5.857 -0.152 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.675 -5.961 -1.426 1.00 0.00 C ATOM 0 H LEU A 15 9.960 -7.416 2.431 1.00 0.00 H new ATOM 0 HA LEU A 15 11.641 -6.196 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.050 -5.397 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.807 -4.381 0.687 1.00 0.00 H new ATOM 0 HG LEU A 15 9.090 -7.273 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.049 -6.435 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.054 -6.088 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.418 -4.793 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.168 -6.537 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.619 -4.900 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.720 -6.266 -1.372 1.00 0.00 H new ATOM 184 N GLY A 16 11.248 -4.412 3.310 1.00 0.00 N ATOM 185 CA GLY A 16 11.883 -3.388 4.117 1.00 0.00 C ATOM 186 C GLY A 16 10.956 -2.225 4.414 1.00 0.00 C ATOM 187 O GLY A 16 11.365 -1.066 4.355 1.00 0.00 O ATOM 0 H GLY A 16 10.347 -4.736 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.222 -3.827 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.769 -3.020 3.600 1.00 0.00 H new ATOM 191 N LEU A 17 9.704 -2.537 4.735 1.00 0.00 N ATOM 192 CA LEU A 17 8.717 -1.508 5.042 1.00 0.00 C ATOM 193 C LEU A 17 7.614 -2.064 5.939 1.00 0.00 C ATOM 194 O LEU A 17 7.281 -3.247 5.870 1.00 0.00 O ATOM 195 CB LEU A 17 8.109 -0.953 3.753 1.00 0.00 C ATOM 196 CG LEU A 17 7.324 0.350 3.915 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.264 1.501 4.239 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.525 0.650 2.657 1.00 0.00 C ATOM 0 H LEU A 17 9.350 -3.492 4.789 1.00 0.00 H new ATOM 0 HA LEU A 17 9.223 -0.702 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.910 -0.789 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.447 -1.707 3.327 1.00 0.00 H new ATOM 0 HG LEU A 17 6.627 0.232 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.689 2.420 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.793 1.288 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.985 1.620 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.973 1.580 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.204 0.749 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.825 -0.164 2.468 1.00 0.00 H new ATOM 210 N ARG A 18 7.052 -1.201 6.779 1.00 0.00 N ATOM 211 CA ARG A 18 5.986 -1.604 7.691 1.00 0.00 C ATOM 212 C ARG A 18 4.685 -0.881 7.358 1.00 0.00 C ATOM 213 O ARG A 18 4.675 0.076 6.585 1.00 0.00 O ATOM 214 CB ARG A 18 6.389 -1.318 9.138 1.00 0.00 C ATOM 215 CG ARG A 18 7.065 -2.493 9.826 1.00 0.00 C ATOM 216 CD ARG A 18 7.369 -2.188 11.284 1.00 0.00 C ATOM 217 NE ARG A 18 8.706 -2.632 11.668 1.00 0.00 N ATOM 218 CZ ARG A 18 9.023 -3.900 11.924 1.00 0.00 C ATOM 219 NH1 ARG A 18 8.101 -4.851 11.838 1.00 0.00 N ATOM 220 NH2 ARG A 18 10.263 -4.218 12.268 1.00 0.00 N ATOM 0 H ARG A 18 7.316 -0.218 6.848 1.00 0.00 H new ATOM 0 HA ARG A 18 5.825 -2.676 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.062 -0.461 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.501 -1.038 9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.422 -3.371 9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.990 -2.738 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.280 -1.115 11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.629 -2.676 11.918 1.00 0.00 H new ATOM 0 HE ARG A 18 9.441 -1.929 11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.145 -4.612 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.349 -5.821 12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.975 -3.491 12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.505 -5.189 12.464 1.00 0.00 H new ATOM 234 N LEU A 19 3.589 -1.347 7.948 1.00 0.00 N ATOM 235 CA LEU A 19 2.281 -0.745 7.715 1.00 0.00 C ATOM 236 C LEU A 19 2.147 0.574 8.468 1.00 0.00 C ATOM 237 O LEU A 19 2.724 0.749 9.541 1.00 0.00 O ATOM 238 CB LEU A 19 1.171 -1.706 8.144 1.00 0.00 C ATOM 239 CG LEU A 19 1.387 -3.168 7.743 1.00 0.00 C ATOM 240 CD1 LEU A 19 1.212 -4.088 8.941 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.432 -3.562 6.624 1.00 0.00 C ATOM 0 H LEU A 19 3.580 -2.139 8.591 1.00 0.00 H new ATOM 0 HA LEU A 19 2.186 -0.544 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.066 -1.654 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.229 -1.363 7.716 1.00 0.00 H new ATOM 0 HG LEU A 19 2.409 -3.273 7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.370 -5.121 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.937 -3.824 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.203 -3.979 9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.600 -4.604 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.597 -3.437 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.608 -2.928 5.755 1.00 0.00 H new ATOM 253 N GLY A 20 1.381 1.499 7.899 1.00 0.00 N ATOM 254 CA GLY A 20 1.185 2.790 8.531 1.00 0.00 C ATOM 255 C GLY A 20 1.968 3.896 7.851 1.00 0.00 C ATOM 256 O GLY A 20 1.517 5.040 7.794 1.00 0.00 O ATOM 0 H GLY A 20 0.893 1.377 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.124 3.040 8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.485 2.728 9.577 1.00 0.00 H new ATOM 260 N ASP A 21 3.143 3.554 7.334 1.00 0.00 N ATOM 261 CA ASP A 21 3.992 4.527 6.656 1.00 0.00 C ATOM 262 C ASP A 21 3.476 4.808 5.247 1.00 0.00 C ATOM 263 O ASP A 21 2.623 4.087 4.732 1.00 0.00 O ATOM 264 CB ASP A 21 5.435 4.021 6.593 1.00 0.00 C ATOM 265 CG ASP A 21 6.443 5.112 6.899 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.604 5.454 8.090 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.070 5.624 5.949 1.00 0.00 O ATOM 0 H ASP A 21 3.529 2.611 7.371 1.00 0.00 H new ATOM 0 HA ASP A 21 3.966 5.456 7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.562 3.203 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.632 3.616 5.601 1.00 0.00 H new ATOM 272 N ARG A 22 4.001 5.862 4.631 1.00 0.00 N ATOM 273 CA ARG A 22 3.594 6.240 3.282 1.00 0.00 C ATOM 274 C ARG A 22 4.401 5.479 2.236 1.00 0.00 C ATOM 275 O ARG A 22 5.495 4.987 2.517 1.00 0.00 O ATOM 276 CB ARG A 22 3.765 7.746 3.077 1.00 0.00 C ATOM 277 CG ARG A 22 2.708 8.580 3.784 1.00 0.00 C ATOM 278 CD ARG A 22 2.772 10.040 3.362 1.00 0.00 C ATOM 279 NE ARG A 22 3.021 10.927 4.497 1.00 0.00 N ATOM 280 CZ ARG A 22 2.084 11.302 5.363 1.00 0.00 C ATOM 281 NH1 ARG A 22 0.835 10.872 5.230 1.00 0.00 N ATOM 282 NH2 ARG A 22 2.394 12.110 6.367 1.00 0.00 N ATOM 0 H ARG A 22 4.709 6.469 5.044 1.00 0.00 H new ATOM 0 HA ARG A 22 2.542 5.981 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.750 8.044 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.735 7.965 2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.719 8.179 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.847 8.506 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.561 10.169 2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.835 10.320 2.882 1.00 0.00 H new ATOM 0 HE ARG A 22 3.969 11.279 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.589 10.250 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.121 11.164 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.351 12.444 6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.675 12.397 7.031 1.00 0.00 H new ATOM 296 N VAL A 23 3.856 5.385 1.028 1.00 0.00 N ATOM 297 CA VAL A 23 4.526 4.684 -0.061 1.00 0.00 C ATOM 298 C VAL A 23 4.472 5.494 -1.352 1.00 0.00 C ATOM 299 O VAL A 23 3.594 6.338 -1.530 1.00 0.00 O ATOM 300 CB VAL A 23 3.896 3.301 -0.311 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.143 2.378 0.873 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.407 3.435 -0.591 1.00 0.00 C ATOM 0 H VAL A 23 2.952 5.786 0.778 1.00 0.00 H new ATOM 0 HA VAL A 23 5.565 4.553 0.240 1.00 0.00 H new ATOM 0 HB VAL A 23 4.369 2.861 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.690 1.406 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.216 2.255 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.700 2.810 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.979 2.448 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.916 3.897 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.257 4.056 -1.474 1.00 0.00 H new ATOM 312 N LEU A 24 5.416 5.231 -2.249 1.00 0.00 N ATOM 313 CA LEU A 24 5.476 5.936 -3.524 1.00 0.00 C ATOM 314 C LEU A 24 4.860 5.097 -4.639 1.00 0.00 C ATOM 315 O LEU A 24 5.358 4.019 -4.964 1.00 0.00 O ATOM 316 CB LEU A 24 6.924 6.284 -3.872 1.00 0.00 C ATOM 317 CG LEU A 24 7.097 7.500 -4.783 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.392 8.713 -4.196 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.574 7.793 -5.004 1.00 0.00 C ATOM 0 H LEU A 24 6.150 4.535 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 24 4.902 6.858 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.471 6.462 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.384 5.421 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 24 6.643 7.275 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.527 9.568 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.328 8.500 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.815 8.942 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.679 8.661 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.052 7.997 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.050 6.930 -5.470 1.00 0.00 H new ATOM 331 N LEU A 25 3.776 5.598 -5.220 1.00 0.00 N ATOM 332 CA LEU A 25 3.092 4.893 -6.298 1.00 0.00 C ATOM 333 C LEU A 25 3.432 5.507 -7.653 1.00 0.00 C ATOM 334 O LEU A 25 3.200 6.695 -7.883 1.00 0.00 O ATOM 335 CB LEU A 25 1.578 4.926 -6.076 1.00 0.00 C ATOM 336 CG LEU A 25 1.123 4.553 -4.665 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.395 4.547 -4.578 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.686 3.197 -4.264 1.00 0.00 C ATOM 0 H LEU A 25 3.352 6.489 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 25 3.431 3.857 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.214 5.927 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.107 4.245 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 25 1.504 5.303 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.700 4.279 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.777 5.538 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.797 3.819 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.352 2.948 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.335 2.437 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.775 3.234 -4.286 1.00 0.00 H new ATOM 350 N ASP A 26 3.983 4.691 -8.545 1.00 0.00 N ATOM 351 CA ASP A 26 4.356 5.152 -9.877 1.00 0.00 C ATOM 352 C ASP A 26 5.377 6.284 -9.799 1.00 0.00 C ATOM 353 O ASP A 26 5.476 7.106 -10.711 1.00 0.00 O ATOM 354 CB ASP A 26 3.117 5.618 -10.642 1.00 0.00 C ATOM 355 CG ASP A 26 2.493 4.507 -11.464 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.564 3.338 -11.031 1.00 0.00 O ATOM 357 OD2 ASP A 26 1.933 4.806 -12.540 1.00 0.00 O ATOM 0 H ASP A 26 4.181 3.706 -8.369 1.00 0.00 H new ATOM 0 HA ASP A 26 4.811 4.316 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.380 6.001 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.389 6.444 -11.299 1.00 0.00 H new ATOM 362 N GLY A 27 6.134 6.323 -8.706 1.00 0.00 N ATOM 363 CA GLY A 27 7.136 7.359 -8.533 1.00 0.00 C ATOM 364 C GLY A 27 6.558 8.757 -8.645 1.00 0.00 C ATOM 365 O GLY A 27 7.076 9.592 -9.386 1.00 0.00 O ATOM 0 H GLY A 27 6.071 5.655 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.608 7.243 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.917 7.232 -9.283 1.00 0.00 H new ATOM 369 N GLN A 28 5.483 9.013 -7.907 1.00 0.00 N ATOM 370 CA GLN A 28 4.837 10.319 -7.927 1.00 0.00 C ATOM 371 C GLN A 28 3.709 10.386 -6.901 1.00 0.00 C ATOM 372 O GLN A 28 3.815 11.082 -5.891 1.00 0.00 O ATOM 373 CB GLN A 28 4.291 10.620 -9.325 1.00 0.00 C ATOM 374 CG GLN A 28 4.579 12.036 -9.799 1.00 0.00 C ATOM 375 CD GLN A 28 3.324 12.786 -10.199 1.00 0.00 C ATOM 376 OE1 GLN A 28 2.517 12.293 -10.987 1.00 0.00 O ATOM 377 NE2 GLN A 28 3.153 13.985 -9.655 1.00 0.00 N ATOM 0 H GLN A 28 5.041 8.333 -7.288 1.00 0.00 H new ATOM 0 HA GLN A 28 5.584 11.069 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.722 9.914 -10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.213 10.457 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.087 12.584 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.261 11.999 -10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.848 14.355 -9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.327 14.537 -9.886 1.00 0.00 H new ATOM 386 N LYS A 29 2.629 9.659 -7.168 1.00 0.00 N ATOM 387 CA LYS A 29 1.482 9.636 -6.267 1.00 0.00 C ATOM 388 C LYS A 29 1.857 9.022 -4.923 1.00 0.00 C ATOM 389 O LYS A 29 2.525 7.990 -4.866 1.00 0.00 O ATOM 390 CB LYS A 29 0.329 8.851 -6.896 1.00 0.00 C ATOM 391 CG LYS A 29 -0.154 9.431 -8.216 1.00 0.00 C ATOM 392 CD LYS A 29 0.311 8.594 -9.397 1.00 0.00 C ATOM 393 CE LYS A 29 0.362 9.416 -10.676 1.00 0.00 C ATOM 394 NZ LYS A 29 0.659 8.572 -11.866 1.00 0.00 N ATOM 0 H LYS A 29 2.524 9.078 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 29 1.163 10.665 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.647 7.821 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.505 8.822 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.243 9.485 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.216 10.451 -8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.299 8.184 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.363 7.748 -9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.592 9.924 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.124 10.190 -10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.685 9.169 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.581 8.107 -11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.081 7.849 -11.973 1.00 0.00 H new ATOM 408 N THR A 30 1.422 9.663 -3.844 1.00 0.00 N ATOM 409 CA THR A 30 1.711 9.179 -2.499 1.00 0.00 C ATOM 410 C THR A 30 0.568 8.316 -1.974 1.00 0.00 C ATOM 411 O THR A 30 -0.601 8.576 -2.261 1.00 0.00 O ATOM 412 CB THR A 30 1.954 10.356 -1.552 1.00 0.00 C ATOM 413 OG1 THR A 30 2.463 11.473 -2.260 1.00 0.00 O ATOM 414 CG2 THR A 30 2.927 10.036 -0.439 1.00 0.00 C ATOM 0 H THR A 30 0.868 10.519 -3.874 1.00 0.00 H new ATOM 0 HA THR A 30 2.612 8.567 -2.546 1.00 0.00 H new ATOM 0 HB THR A 30 0.982 10.578 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.610 12.216 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.055 10.913 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.539 9.210 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.889 9.755 -0.867 1.00 0.00 H new ATOM 422 N GLY A 31 0.913 7.290 -1.203 1.00 0.00 N ATOM 423 CA GLY A 31 -0.096 6.406 -0.650 1.00 0.00 C ATOM 424 C GLY A 31 0.235 5.957 0.759 1.00 0.00 C ATOM 425 O GLY A 31 1.356 6.145 1.232 1.00 0.00 O ATOM 0 H GLY A 31 1.873 7.055 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.060 6.916 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.199 5.531 -1.292 1.00 0.00 H new ATOM 429 N THR A 32 -0.744 5.358 1.432 1.00 0.00 N ATOM 430 CA THR A 32 -0.553 4.879 2.796 1.00 0.00 C ATOM 431 C THR A 32 -0.734 3.367 2.871 1.00 0.00 C ATOM 432 O THR A 32 -1.778 2.837 2.491 1.00 0.00 O ATOM 433 CB THR A 32 -1.536 5.569 3.744 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.940 6.822 3.221 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.968 5.809 5.126 1.00 0.00 C ATOM 0 H THR A 32 -1.677 5.193 1.054 1.00 0.00 H new ATOM 0 HA THR A 32 0.465 5.121 3.100 1.00 0.00 H new ATOM 0 HB THR A 32 -2.381 4.886 3.831 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.570 7.247 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.717 6.301 5.747 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.693 4.856 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.085 6.444 5.051 1.00 0.00 H new ATOM 443 N LEU A 33 0.291 2.677 3.362 1.00 0.00 N ATOM 444 CA LEU A 33 0.243 1.224 3.486 1.00 0.00 C ATOM 445 C LEU A 33 -0.834 0.799 4.478 1.00 0.00 C ATOM 446 O LEU A 33 -0.983 1.398 5.543 1.00 0.00 O ATOM 447 CB LEU A 33 1.605 0.684 3.930 1.00 0.00 C ATOM 448 CG LEU A 33 1.916 -0.742 3.475 1.00 0.00 C ATOM 449 CD1 LEU A 33 2.028 -0.807 1.958 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.196 -1.241 4.128 1.00 0.00 C ATOM 0 H LEU A 33 1.163 3.100 3.680 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.004 0.808 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.383 1.347 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.656 0.721 5.018 1.00 0.00 H new ATOM 0 HG LEU A 33 1.096 -1.390 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.250 -1.830 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.086 -0.491 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.829 -0.147 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.403 -2.258 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.025 -0.591 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.079 -1.233 5.212 1.00 0.00 H new ATOM 462 N ARG A 34 -1.583 -0.239 4.121 1.00 0.00 N ATOM 463 CA ARG A 34 -2.648 -0.744 4.979 1.00 0.00 C ATOM 464 C ARG A 34 -2.552 -2.260 5.132 1.00 0.00 C ATOM 465 O ARG A 34 -2.655 -2.789 6.240 1.00 0.00 O ATOM 466 CB ARG A 34 -4.016 -0.364 4.409 1.00 0.00 C ATOM 467 CG ARG A 34 -4.352 1.111 4.566 1.00 0.00 C ATOM 468 CD ARG A 34 -4.816 1.429 5.977 1.00 0.00 C ATOM 469 NE ARG A 34 -3.712 1.858 6.833 1.00 0.00 N ATOM 470 CZ ARG A 34 -3.191 3.083 6.812 1.00 0.00 C ATOM 471 NH1 ARG A 34 -3.671 4.003 5.983 1.00 0.00 N ATOM 472 NH2 ARG A 34 -2.187 3.391 7.622 1.00 0.00 N ATOM 0 H ARG A 34 -1.472 -0.747 3.243 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.533 -0.289 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.044 -0.624 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.784 -0.958 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.475 1.713 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.131 1.385 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.573 2.213 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.289 0.548 6.410 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.318 1.179 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.443 3.773 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.267 4.940 5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.814 2.689 8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.788 4.330 7.606 1.00 0.00 H new ATOM 486 N PHE A 35 -2.354 -2.951 4.016 1.00 0.00 N ATOM 487 CA PHE A 35 -2.245 -4.405 4.026 1.00 0.00 C ATOM 488 C PHE A 35 -1.153 -4.876 3.071 1.00 0.00 C ATOM 489 O PHE A 35 -0.795 -4.171 2.126 1.00 0.00 O ATOM 490 CB PHE A 35 -3.583 -5.041 3.644 1.00 0.00 C ATOM 491 CG PHE A 35 -3.566 -6.544 3.676 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.113 -7.267 2.583 1.00 0.00 C ATOM 493 CD2 PHE A 35 -4.001 -7.231 4.796 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.095 -8.649 2.609 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.987 -8.613 4.828 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.533 -9.322 3.733 1.00 0.00 C ATOM 0 H PHE A 35 -2.266 -2.528 3.092 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.978 -4.717 5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.355 -4.680 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.860 -4.710 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.771 -6.745 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.356 -6.681 5.655 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.739 -9.202 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.330 -9.137 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.520 -10.402 3.756 1.00 0.00 H new ATOM 506 N CYS A 36 -0.630 -6.072 3.321 1.00 0.00 N ATOM 507 CA CYS A 36 0.422 -6.637 2.482 1.00 0.00 C ATOM 508 C CYS A 36 0.326 -8.158 2.441 1.00 0.00 C ATOM 509 O CYS A 36 -0.106 -8.788 3.406 1.00 0.00 O ATOM 510 CB CYS A 36 1.797 -6.213 2.999 1.00 0.00 C ATOM 511 SG CYS A 36 3.170 -6.708 1.930 1.00 0.00 S ATOM 0 H CYS A 36 -0.917 -6.669 4.097 1.00 0.00 H new ATOM 0 HA CYS A 36 0.290 -6.256 1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.812 -5.129 3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.949 -6.641 3.990 1.00 0.00 H new ATOM 0 HG CYS A 36 3.934 -5.681 1.701 1.00 0.00 H new ATOM 517 N GLY A 37 0.732 -8.743 1.319 1.00 0.00 N ATOM 518 CA GLY A 37 0.685 -10.186 1.174 1.00 0.00 C ATOM 519 C GLY A 37 -0.254 -10.627 0.068 1.00 0.00 C ATOM 520 O GLY A 37 -0.381 -9.952 -0.953 1.00 0.00 O ATOM 0 H GLY A 37 1.093 -8.243 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.687 -10.560 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.367 -10.633 2.116 1.00 0.00 H new ATOM 524 N THR A 38 -0.912 -11.763 0.272 1.00 0.00 N ATOM 525 CA THR A 38 -1.844 -12.294 -0.716 1.00 0.00 C ATOM 526 C THR A 38 -3.199 -11.601 -0.615 1.00 0.00 C ATOM 527 O THR A 38 -3.388 -10.703 0.206 1.00 0.00 O ATOM 528 CB THR A 38 -2.015 -13.802 -0.527 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.441 -14.097 0.791 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.748 -14.586 -0.786 1.00 0.00 C ATOM 0 H THR A 38 -0.817 -12.334 1.112 1.00 0.00 H new ATOM 0 HA THR A 38 -1.432 -12.103 -1.707 1.00 0.00 H new ATOM 0 HB THR A 38 -2.764 -14.101 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.546 -15.066 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.940 -15.648 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.421 -14.420 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.031 -14.256 -0.099 1.00 0.00 H new ATOM 538 N THR A 39 -4.139 -12.024 -1.454 1.00 0.00 N ATOM 539 CA THR A 39 -5.476 -11.444 -1.458 1.00 0.00 C ATOM 540 C THR A 39 -6.538 -12.527 -1.622 1.00 0.00 C ATOM 541 O THR A 39 -6.222 -13.715 -1.693 1.00 0.00 O ATOM 542 CB THR A 39 -5.605 -10.413 -2.581 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.774 -10.758 -3.675 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.237 -9.010 -2.150 1.00 0.00 C ATOM 0 H THR A 39 -3.999 -12.766 -2.140 1.00 0.00 H new ATOM 0 HA THR A 39 -5.632 -10.948 -0.500 1.00 0.00 H new ATOM 0 HB THR A 39 -6.657 -10.424 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.158 -10.019 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.350 -8.329 -2.993 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.893 -8.695 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.202 -8.994 -1.807 1.00 0.00 H new ATOM 552 N GLU A 40 -7.798 -12.110 -1.683 1.00 0.00 N ATOM 553 CA GLU A 40 -8.906 -13.045 -1.840 1.00 0.00 C ATOM 554 C GLU A 40 -9.352 -13.121 -3.297 1.00 0.00 C ATOM 555 O GLU A 40 -9.797 -14.169 -3.767 1.00 0.00 O ATOM 556 CB GLU A 40 -10.081 -12.628 -0.951 1.00 0.00 C ATOM 557 CG GLU A 40 -10.204 -13.453 0.319 1.00 0.00 C ATOM 558 CD GLU A 40 -11.632 -13.869 0.609 1.00 0.00 C ATOM 559 OE1 GLU A 40 -12.390 -14.105 -0.356 1.00 0.00 O ATOM 560 OE2 GLU A 40 -11.994 -13.962 1.801 1.00 0.00 O ATOM 0 H GLU A 40 -8.077 -11.131 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.563 -14.033 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.968 -11.578 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.006 -12.714 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.581 -14.343 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.820 -12.877 1.161 1.00 0.00 H new ATOM 567 N PHE A 41 -9.231 -12.004 -4.007 1.00 0.00 N ATOM 568 CA PHE A 41 -9.622 -11.944 -5.410 1.00 0.00 C ATOM 569 C PHE A 41 -8.396 -11.899 -6.317 1.00 0.00 C ATOM 570 O PHE A 41 -8.448 -11.352 -7.419 1.00 0.00 O ATOM 571 CB PHE A 41 -10.502 -10.718 -5.663 1.00 0.00 C ATOM 572 CG PHE A 41 -9.935 -9.446 -5.100 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.837 -8.840 -5.690 1.00 0.00 C ATOM 574 CD2 PHE A 41 -10.501 -8.856 -3.981 1.00 0.00 C ATOM 575 CE1 PHE A 41 -8.315 -7.670 -5.174 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.983 -7.685 -3.461 1.00 0.00 C ATOM 577 CZ PHE A 41 -8.887 -7.091 -4.058 1.00 0.00 C ATOM 0 H PHE A 41 -8.865 -11.128 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.189 -12.846 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.645 -10.599 -6.737 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.486 -10.891 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.385 -9.288 -6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -11.357 -9.317 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.459 -7.208 -5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -10.434 -7.235 -2.589 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.479 -6.177 -3.653 1.00 0.00 H new ATOM 587 N ALA A 42 -7.294 -12.476 -5.848 1.00 0.00 N ATOM 588 CA ALA A 42 -6.057 -12.500 -6.620 1.00 0.00 C ATOM 589 C ALA A 42 -5.058 -13.486 -6.025 1.00 0.00 C ATOM 590 O ALA A 42 -5.141 -13.836 -4.848 1.00 0.00 O ATOM 591 CB ALA A 42 -5.450 -11.106 -6.684 1.00 0.00 C ATOM 0 H ALA A 42 -7.233 -12.933 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.294 -12.829 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.527 -11.137 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.154 -10.424 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.233 -10.757 -5.674 1.00 0.00 H new ATOM 597 N SER A 43 -4.113 -13.931 -6.847 1.00 0.00 N ATOM 598 CA SER A 43 -3.096 -14.877 -6.402 1.00 0.00 C ATOM 599 C SER A 43 -1.696 -14.350 -6.700 1.00 0.00 C ATOM 600 O SER A 43 -1.347 -14.106 -7.854 1.00 0.00 O ATOM 601 CB SER A 43 -3.299 -16.232 -7.083 1.00 0.00 C ATOM 602 OG SER A 43 -2.248 -17.127 -6.762 1.00 0.00 O ATOM 0 H SER A 43 -4.030 -13.652 -7.825 1.00 0.00 H new ATOM 0 HA SER A 43 -3.196 -15.001 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.252 -16.659 -6.772 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.348 -16.096 -8.163 1.00 0.00 H new ATOM 0 HG SER A 43 -2.402 -17.986 -7.208 1.00 0.00 H new ATOM 608 N GLY A 44 -0.900 -14.178 -5.650 1.00 0.00 N ATOM 609 CA GLY A 44 0.453 -13.681 -5.820 1.00 0.00 C ATOM 610 C GLY A 44 0.826 -12.646 -4.775 1.00 0.00 C ATOM 611 O GLY A 44 0.620 -12.859 -3.581 1.00 0.00 O ATOM 0 H GLY A 44 -1.167 -14.374 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.153 -14.515 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.554 -13.243 -6.813 1.00 0.00 H new ATOM 615 N GLN A 45 1.378 -11.525 -5.227 1.00 0.00 N ATOM 616 CA GLN A 45 1.782 -10.454 -4.323 1.00 0.00 C ATOM 617 C GLN A 45 0.894 -9.226 -4.502 1.00 0.00 C ATOM 618 O GLN A 45 0.793 -8.675 -5.599 1.00 0.00 O ATOM 619 CB GLN A 45 3.246 -10.081 -4.563 1.00 0.00 C ATOM 620 CG GLN A 45 4.200 -10.672 -3.538 1.00 0.00 C ATOM 621 CD GLN A 45 4.973 -11.860 -4.077 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.587 -11.785 -5.141 1.00 0.00 O ATOM 623 NE2 GLN A 45 4.947 -12.966 -3.343 1.00 0.00 N ATOM 0 H GLN A 45 1.556 -11.334 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 45 1.670 -10.814 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.540 -10.418 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.342 -8.995 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.902 -9.903 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.636 -10.980 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.425 -12.984 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.449 -13.797 -3.655 1.00 0.00 H new ATOM 632 N TRP A 46 0.252 -8.803 -3.418 1.00 0.00 N ATOM 633 CA TRP A 46 -0.628 -7.640 -3.455 1.00 0.00 C ATOM 634 C TRP A 46 -0.571 -6.873 -2.138 1.00 0.00 C ATOM 635 O TRP A 46 -0.342 -7.457 -1.078 1.00 0.00 O ATOM 636 CB TRP A 46 -2.066 -8.072 -3.746 1.00 0.00 C ATOM 637 CG TRP A 46 -2.291 -8.468 -5.173 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.319 -9.737 -5.677 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.519 -7.590 -6.282 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.550 -9.701 -7.031 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.676 -8.395 -7.426 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.607 -6.202 -6.418 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -2.917 -7.858 -8.688 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -2.844 -5.670 -7.672 1.00 0.00 C ATOM 645 CH2 TRP A 46 -2.997 -6.496 -8.792 1.00 0.00 C ATOM 0 H TRP A 46 0.324 -9.248 -2.503 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.286 -6.981 -4.253 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.324 -8.911 -3.099 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.741 -7.255 -3.493 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.180 -10.637 -5.096 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.617 -10.514 -7.643 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.492 -5.557 -5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.036 -8.493 -9.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.912 -4.599 -7.790 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.182 -6.049 -9.758 1.00 0.00 H new ATOM 656 N VAL A 47 -0.780 -5.563 -2.212 1.00 0.00 N ATOM 657 CA VAL A 47 -0.751 -4.718 -1.025 1.00 0.00 C ATOM 658 C VAL A 47 -1.808 -3.621 -1.104 1.00 0.00 C ATOM 659 O VAL A 47 -2.119 -3.122 -2.185 1.00 0.00 O ATOM 660 CB VAL A 47 0.633 -4.070 -0.830 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.690 -5.132 -0.573 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.001 -3.222 -2.038 1.00 0.00 C ATOM 0 H VAL A 47 -0.971 -5.064 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.965 -5.363 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 47 0.588 -3.418 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.660 -4.654 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.433 -5.691 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.736 -5.813 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.982 -2.772 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.027 -3.850 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.258 -2.435 -2.170 1.00 0.00 H new ATOM 672 N GLY A 48 -2.356 -3.250 0.049 1.00 0.00 N ATOM 673 CA GLY A 48 -3.371 -2.214 0.088 1.00 0.00 C ATOM 674 C GLY A 48 -2.790 -0.842 0.365 1.00 0.00 C ATOM 675 O GLY A 48 -2.173 -0.621 1.408 1.00 0.00 O ATOM 0 H GLY A 48 -2.115 -3.648 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.902 -2.195 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.104 -2.457 0.857 1.00 0.00 H new ATOM 679 N VAL A 49 -2.985 0.081 -0.570 1.00 0.00 N ATOM 680 CA VAL A 49 -2.474 1.440 -0.422 1.00 0.00 C ATOM 681 C VAL A 49 -3.603 2.462 -0.492 1.00 0.00 C ATOM 682 O VAL A 49 -4.543 2.313 -1.272 1.00 0.00 O ATOM 683 CB VAL A 49 -1.431 1.769 -1.507 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.765 3.106 -1.219 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.396 0.660 -1.607 1.00 0.00 C ATOM 0 H VAL A 49 -3.493 -0.086 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.998 1.494 0.557 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.943 1.843 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.031 3.322 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.519 3.893 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.266 3.063 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.332 0.910 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.113 0.550 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.890 -0.277 -1.865 1.00 0.00 H new ATOM 695 N GLU A 50 -3.503 3.503 0.330 1.00 0.00 N ATOM 696 CA GLU A 50 -4.515 4.551 0.361 1.00 0.00 C ATOM 697 C GLU A 50 -4.008 5.816 -0.326 1.00 0.00 C ATOM 698 O GLU A 50 -3.091 6.474 0.164 1.00 0.00 O ATOM 699 CB GLU A 50 -4.912 4.865 1.805 1.00 0.00 C ATOM 700 CG GLU A 50 -6.288 5.498 1.935 1.00 0.00 C ATOM 701 CD GLU A 50 -6.372 6.478 3.088 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.368 6.027 4.252 1.00 0.00 O ATOM 703 OE2 GLU A 50 -6.442 7.698 2.826 1.00 0.00 O ATOM 0 H GLU A 50 -2.731 3.642 0.983 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.391 4.191 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.889 3.944 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.170 5.536 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.536 6.013 1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.033 4.714 2.074 1.00 0.00 H new ATOM 710 N LEU A 51 -4.611 6.148 -1.462 1.00 0.00 N ATOM 711 CA LEU A 51 -4.221 7.333 -2.216 1.00 0.00 C ATOM 712 C LEU A 51 -4.489 8.603 -1.416 1.00 0.00 C ATOM 713 O LEU A 51 -5.577 8.787 -0.869 1.00 0.00 O ATOM 714 CB LEU A 51 -4.974 7.388 -3.546 1.00 0.00 C ATOM 715 CG LEU A 51 -4.738 6.195 -4.475 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.800 6.147 -5.562 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.347 6.267 -5.087 1.00 0.00 C ATOM 0 H LEU A 51 -5.372 5.613 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.151 7.269 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.042 7.462 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.688 8.300 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.809 5.279 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.616 5.292 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.785 6.049 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.762 7.065 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.194 5.412 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.249 7.188 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.599 6.253 -4.294 1.00 0.00 H new ATOM 729 N ASP A 52 -3.490 9.477 -1.350 1.00 0.00 N ATOM 730 CA ASP A 52 -3.619 10.732 -0.617 1.00 0.00 C ATOM 731 C ASP A 52 -4.564 11.687 -1.339 1.00 0.00 C ATOM 732 O ASP A 52 -5.278 12.467 -0.707 1.00 0.00 O ATOM 733 CB ASP A 52 -2.248 11.387 -0.440 1.00 0.00 C ATOM 734 CG ASP A 52 -2.223 12.373 0.712 1.00 0.00 C ATOM 735 OD1 ASP A 52 -2.656 12.001 1.821 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.768 13.518 0.503 1.00 0.00 O ATOM 0 H ASP A 52 -2.582 9.340 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.036 10.510 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.498 10.614 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.972 11.901 -1.361 1.00 0.00 H new ATOM 741 N GLU A 53 -4.564 11.619 -2.666 1.00 0.00 N ATOM 742 CA GLU A 53 -5.422 12.475 -3.476 1.00 0.00 C ATOM 743 C GLU A 53 -6.855 11.949 -3.492 1.00 0.00 C ATOM 744 O GLU A 53 -7.087 10.755 -3.299 1.00 0.00 O ATOM 745 CB GLU A 53 -4.882 12.565 -4.905 1.00 0.00 C ATOM 746 CG GLU A 53 -3.382 12.799 -4.975 1.00 0.00 C ATOM 747 CD GLU A 53 -2.663 11.740 -5.789 1.00 0.00 C ATOM 748 OE1 GLU A 53 -2.340 10.674 -5.224 1.00 0.00 O ATOM 749 OE2 GLU A 53 -2.423 11.978 -6.992 1.00 0.00 O ATOM 0 H GLU A 53 -3.979 10.979 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.425 13.471 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.122 11.643 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.392 13.374 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.191 13.779 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.973 12.815 -3.965 1.00 0.00 H new ATOM 756 N PRO A 54 -7.839 12.835 -3.724 1.00 0.00 N ATOM 757 CA PRO A 54 -9.254 12.450 -3.765 1.00 0.00 C ATOM 758 C PRO A 54 -9.576 11.559 -4.961 1.00 0.00 C ATOM 759 O PRO A 54 -10.307 11.958 -5.868 1.00 0.00 O ATOM 760 CB PRO A 54 -9.987 13.790 -3.879 1.00 0.00 C ATOM 761 CG PRO A 54 -8.991 14.721 -4.479 1.00 0.00 C ATOM 762 CD PRO A 54 -7.651 14.277 -3.964 1.00 0.00 C ATOM 0 HA PRO A 54 -9.544 11.867 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.874 13.703 -4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.320 14.143 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.024 14.680 -5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.198 15.752 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.859 14.464 -4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.377 14.804 -3.050 1.00 0.00 H new ATOM 770 N GLU A 55 -9.021 10.352 -4.957 1.00 0.00 N ATOM 771 CA GLU A 55 -9.246 9.402 -6.040 1.00 0.00 C ATOM 772 C GLU A 55 -8.998 7.972 -5.569 1.00 0.00 C ATOM 773 O GLU A 55 -8.139 7.727 -4.722 1.00 0.00 O ATOM 774 CB GLU A 55 -8.335 9.724 -7.226 1.00 0.00 C ATOM 775 CG GLU A 55 -8.571 11.106 -7.814 1.00 0.00 C ATOM 776 CD GLU A 55 -7.895 11.289 -9.159 1.00 0.00 C ATOM 777 OE1 GLU A 55 -6.691 10.970 -9.267 1.00 0.00 O ATOM 778 OE2 GLU A 55 -8.567 11.754 -10.104 1.00 0.00 O ATOM 0 H GLU A 55 -8.411 10.008 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.286 9.488 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.296 9.646 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.487 8.976 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.643 11.272 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.201 11.861 -7.120 1.00 0.00 H new ATOM 785 N GLY A 56 -9.756 7.031 -6.123 1.00 0.00 N ATOM 786 CA GLY A 56 -9.602 5.639 -5.746 1.00 0.00 C ATOM 787 C GLY A 56 -10.571 4.729 -6.477 1.00 0.00 C ATOM 788 O GLY A 56 -10.956 5.006 -7.613 1.00 0.00 O ATOM 0 H GLY A 56 -10.474 7.208 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.581 5.320 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.754 5.538 -4.671 1.00 0.00 H new ATOM 792 N LYS A 57 -10.964 3.640 -5.824 1.00 0.00 N ATOM 793 CA LYS A 57 -11.892 2.686 -6.419 1.00 0.00 C ATOM 794 C LYS A 57 -12.631 1.899 -5.341 1.00 0.00 C ATOM 795 O LYS A 57 -13.848 1.734 -5.404 1.00 0.00 O ATOM 796 CB LYS A 57 -11.145 1.726 -7.346 1.00 0.00 C ATOM 797 CG LYS A 57 -12.064 0.854 -8.185 1.00 0.00 C ATOM 798 CD LYS A 57 -12.656 1.628 -9.352 1.00 0.00 C ATOM 799 CE LYS A 57 -11.942 1.309 -10.655 1.00 0.00 C ATOM 800 NZ LYS A 57 -11.728 2.526 -11.485 1.00 0.00 N ATOM 0 H LYS A 57 -10.654 3.397 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.625 3.245 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.499 2.302 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.497 1.086 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.508 -0.005 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.868 0.465 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.715 1.388 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.588 2.697 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.980 0.845 -10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.526 0.583 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.238 2.265 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.647 2.955 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.149 3.209 -10.956 1.00 0.00 H new ATOM 814 N ASN A 58 -11.884 1.415 -4.354 1.00 0.00 N ATOM 815 CA ASN A 58 -12.468 0.646 -3.262 1.00 0.00 C ATOM 816 C ASN A 58 -12.565 1.487 -1.994 1.00 0.00 C ATOM 817 O ASN A 58 -11.857 2.483 -1.843 1.00 0.00 O ATOM 818 CB ASN A 58 -11.634 -0.610 -2.993 1.00 0.00 C ATOM 819 CG ASN A 58 -11.457 -1.462 -4.235 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.128 -2.480 -4.405 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.548 -1.050 -5.111 1.00 0.00 N ATOM 0 H ASN A 58 -10.874 1.542 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.475 0.350 -3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.655 -0.318 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.115 -1.202 -2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.384 -1.584 -5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.014 -0.200 -4.930 1.00 0.00 H new ATOM 828 N ASP A 59 -13.445 1.079 -1.085 1.00 0.00 N ATOM 829 CA ASP A 59 -13.634 1.797 0.171 1.00 0.00 C ATOM 830 C ASP A 59 -12.921 1.085 1.318 1.00 0.00 C ATOM 831 O ASP A 59 -13.299 1.232 2.481 1.00 0.00 O ATOM 832 CB ASP A 59 -15.127 1.933 0.484 1.00 0.00 C ATOM 833 CG ASP A 59 -15.587 3.378 0.487 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.739 3.954 -0.612 1.00 0.00 O ATOM 835 OD2 ASP A 59 -15.795 3.932 1.586 1.00 0.00 O ATOM 0 H ASP A 59 -14.038 0.256 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.201 2.792 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.703 1.373 -0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.334 1.487 1.457 1.00 0.00 H new ATOM 840 N GLY A 60 -11.888 0.317 0.987 1.00 0.00 N ATOM 841 CA GLY A 60 -11.142 -0.402 2.003 1.00 0.00 C ATOM 842 C GLY A 60 -11.618 -1.831 2.176 1.00 0.00 C ATOM 843 O GLY A 60 -10.826 -2.723 2.482 1.00 0.00 O ATOM 0 H GLY A 60 -11.554 0.180 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.085 -0.405 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.231 0.124 2.954 1.00 0.00 H new ATOM 847 N SER A 61 -12.914 -2.050 1.982 1.00 0.00 N ATOM 848 CA SER A 61 -13.494 -3.382 2.121 1.00 0.00 C ATOM 849 C SER A 61 -13.970 -3.915 0.772 1.00 0.00 C ATOM 850 O SER A 61 -14.545 -3.179 -0.029 1.00 0.00 O ATOM 851 CB SER A 61 -14.661 -3.352 3.110 1.00 0.00 C ATOM 852 OG SER A 61 -14.817 -4.605 3.753 1.00 0.00 O ATOM 0 H SER A 61 -13.583 -1.323 1.728 1.00 0.00 H new ATOM 0 HA SER A 61 -12.720 -4.049 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.490 -2.576 3.856 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.580 -3.092 2.585 1.00 0.00 H new ATOM 0 HG SER A 61 -14.253 -5.273 3.310 1.00 0.00 H new ATOM 858 N VAL A 62 -13.726 -5.198 0.530 1.00 0.00 N ATOM 859 CA VAL A 62 -14.129 -5.832 -0.720 1.00 0.00 C ATOM 860 C VAL A 62 -14.377 -7.324 -0.525 1.00 0.00 C ATOM 861 O VAL A 62 -13.666 -7.988 0.229 1.00 0.00 O ATOM 862 CB VAL A 62 -13.065 -5.638 -1.816 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.581 -6.138 -3.157 1.00 0.00 C ATOM 864 CG2 VAL A 62 -12.651 -4.178 -1.908 1.00 0.00 C ATOM 0 H VAL A 62 -13.251 -5.820 1.184 1.00 0.00 H new ATOM 0 HA VAL A 62 -15.055 -5.351 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.186 -6.225 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.815 -5.992 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.821 -7.199 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.477 -5.582 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.899 -4.062 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.521 -3.568 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.236 -3.857 -0.953 1.00 0.00 H new ATOM 874 N GLY A 63 -15.391 -7.844 -1.209 1.00 0.00 N ATOM 875 CA GLY A 63 -15.715 -9.254 -1.096 1.00 0.00 C ATOM 876 C GLY A 63 -16.038 -9.666 0.327 1.00 0.00 C ATOM 877 O GLY A 63 -15.907 -10.837 0.685 1.00 0.00 O ATOM 0 H GLY A 63 -15.994 -7.315 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.567 -9.480 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.875 -9.846 -1.460 1.00 0.00 H new ATOM 881 N GLY A 64 -16.462 -8.704 1.141 1.00 0.00 N ATOM 882 CA GLY A 64 -16.798 -8.995 2.523 1.00 0.00 C ATOM 883 C GLY A 64 -15.649 -8.716 3.471 1.00 0.00 C ATOM 884 O GLY A 64 -15.864 -8.333 4.621 1.00 0.00 O ATOM 0 H GLY A 64 -16.579 -7.728 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.661 -8.397 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.090 -10.041 2.610 1.00 0.00 H new ATOM 888 N VAL A 65 -14.425 -8.908 2.990 1.00 0.00 N ATOM 889 CA VAL A 65 -13.239 -8.674 3.805 1.00 0.00 C ATOM 890 C VAL A 65 -12.892 -7.191 3.858 1.00 0.00 C ATOM 891 O VAL A 65 -12.967 -6.489 2.850 1.00 0.00 O ATOM 892 CB VAL A 65 -12.025 -9.453 3.266 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.855 -9.359 4.234 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.395 -10.906 3.006 1.00 0.00 C ATOM 0 H VAL A 65 -14.229 -9.225 2.041 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.472 -9.027 4.810 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.721 -9.004 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.007 -9.916 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.574 -8.314 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.145 -9.780 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.525 -11.441 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.727 -11.369 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.198 -10.951 2.271 1.00 0.00 H new ATOM 904 N ARG A 66 -12.511 -6.720 5.041 1.00 0.00 N ATOM 905 CA ARG A 66 -12.150 -5.318 5.226 1.00 0.00 C ATOM 906 C ARG A 66 -10.659 -5.174 5.510 1.00 0.00 C ATOM 907 O ARG A 66 -10.152 -5.699 6.501 1.00 0.00 O ATOM 908 CB ARG A 66 -12.961 -4.708 6.370 1.00 0.00 C ATOM 909 CG ARG A 66 -12.909 -3.189 6.406 1.00 0.00 C ATOM 910 CD ARG A 66 -13.626 -2.635 7.628 1.00 0.00 C ATOM 911 NE ARG A 66 -14.403 -1.439 7.311 1.00 0.00 N ATOM 912 CZ ARG A 66 -15.543 -1.456 6.623 1.00 0.00 C ATOM 913 NH1 ARG A 66 -16.040 -2.603 6.177 1.00 0.00 N ATOM 914 NH2 ARG A 66 -16.187 -0.323 6.379 1.00 0.00 N ATOM 0 H ARG A 66 -12.444 -7.288 5.886 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.379 -4.784 4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.000 -5.026 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.590 -5.099 7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.870 -2.860 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.366 -2.787 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.287 -3.399 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.895 -2.398 8.401 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.052 -0.538 7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.548 -3.478 6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.914 -2.610 5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.809 0.562 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.060 -0.336 5.852 1.00 0.00 H new ATOM 928 N TYR A 67 -9.962 -4.458 4.633 1.00 0.00 N ATOM 929 CA TYR A 67 -8.529 -4.243 4.790 1.00 0.00 C ATOM 930 C TYR A 67 -8.254 -3.004 5.636 1.00 0.00 C ATOM 931 O TYR A 67 -7.280 -2.955 6.385 1.00 0.00 O ATOM 932 CB TYR A 67 -7.861 -4.100 3.422 1.00 0.00 C ATOM 933 CG TYR A 67 -8.007 -5.323 2.544 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.115 -5.486 1.723 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.034 -6.316 2.538 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.251 -6.602 0.921 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.162 -7.435 1.737 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.272 -7.574 0.931 1.00 0.00 C ATOM 939 OH TYR A 67 -8.403 -8.687 0.132 1.00 0.00 O ATOM 0 H TYR A 67 -10.367 -4.017 3.807 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.111 -5.110 5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.289 -3.240 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.801 -3.891 3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.883 -4.727 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.164 -6.211 3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.120 -6.713 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.396 -8.197 1.742 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.627 -9.273 0.257 1.00 0.00 H new ATOM 949 N PHE A 68 -9.121 -2.004 5.511 1.00 0.00 N ATOM 950 CA PHE A 68 -8.971 -0.764 6.263 1.00 0.00 C ATOM 951 C PHE A 68 -10.149 0.172 6.010 1.00 0.00 C ATOM 952 O PHE A 68 -11.069 -0.160 5.264 1.00 0.00 O ATOM 953 CB PHE A 68 -7.662 -0.069 5.887 1.00 0.00 C ATOM 954 CG PHE A 68 -7.512 0.171 4.412 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.051 -0.832 3.576 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.833 1.402 3.861 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.913 -0.615 2.218 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.696 1.626 2.504 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.236 0.616 1.681 1.00 0.00 C ATOM 0 H PHE A 68 -9.934 -2.029 4.896 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.949 -1.013 7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.604 0.886 6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.825 -0.675 6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.796 -1.796 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.194 2.195 4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.553 -1.407 1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.948 2.590 2.087 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.129 0.789 0.620 1.00 0.00 H new ATOM 969 N ILE A 69 -10.111 1.345 6.635 1.00 0.00 N ATOM 970 CA ILE A 69 -11.173 2.330 6.476 1.00 0.00 C ATOM 971 C ILE A 69 -10.635 3.624 5.877 1.00 0.00 C ATOM 972 O ILE A 69 -9.587 4.122 6.288 1.00 0.00 O ATOM 973 CB ILE A 69 -11.853 2.646 7.823 1.00 0.00 C ATOM 974 CG1 ILE A 69 -10.801 2.952 8.890 1.00 0.00 C ATOM 975 CG2 ILE A 69 -12.735 1.484 8.256 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.214 4.047 9.849 1.00 0.00 C ATOM 0 H ILE A 69 -9.356 1.636 7.256 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.909 1.896 5.799 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.483 3.527 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.594 2.044 9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.871 3.241 8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.208 1.722 9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.503 1.310 7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.126 0.587 8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.420 4.211 10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.393 4.968 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.127 3.752 10.367 1.00 0.00 H new ATOM 988 N CYS A 70 -11.358 4.165 4.901 1.00 0.00 N ATOM 989 CA CYS A 70 -10.951 5.402 4.244 1.00 0.00 C ATOM 990 C CYS A 70 -12.132 6.049 3.522 1.00 0.00 C ATOM 991 O CYS A 70 -13.132 5.390 3.236 1.00 0.00 O ATOM 992 CB CYS A 70 -9.820 5.126 3.253 1.00 0.00 C ATOM 993 SG CYS A 70 -10.285 4.042 1.883 1.00 0.00 S ATOM 0 H CYS A 70 -12.228 3.766 4.548 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.595 6.092 5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.467 6.074 2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.983 4.678 3.789 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.737 4.758 0.897 1.00 0.00 H new ATOM 999 N PRO A 71 -12.029 7.354 3.216 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.093 8.088 2.522 1.00 0.00 C ATOM 1001 C PRO A 71 -13.551 7.379 1.250 1.00 0.00 C ATOM 1002 O PRO A 71 -12.899 6.444 0.783 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.436 9.428 2.182 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.370 9.597 3.208 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.870 8.214 3.520 1.00 0.00 C ATOM 0 HA PRO A 71 -13.990 8.182 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.019 9.420 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.157 10.244 2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.564 10.228 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.763 10.081 4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.005 7.953 2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.565 8.123 4.562 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.683 7.814 0.669 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.224 7.214 -0.556 1.00 0.00 C ATOM 1015 C PRO A 72 -14.252 7.320 -1.726 1.00 0.00 C ATOM 1016 O PRO A 72 -13.797 8.410 -2.071 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.492 8.029 -0.836 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.327 9.289 -0.057 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.523 8.921 1.155 1.00 0.00 C ATOM 0 HA PRO A 72 -15.413 6.147 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.600 8.236 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.385 7.487 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.817 10.050 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.295 9.702 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.922 9.758 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.160 8.611 1.984 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.937 6.180 -2.331 1.00 0.00 N ATOM 1028 CA LYS A 73 -13.017 6.143 -3.462 1.00 0.00 C ATOM 1029 C LYS A 73 -11.635 6.645 -3.053 1.00 0.00 C ATOM 1030 O LYS A 73 -11.340 7.835 -3.163 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.558 6.986 -4.618 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.905 6.511 -5.140 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.588 7.583 -5.973 1.00 0.00 C ATOM 1034 CE LYS A 73 -16.217 8.654 -5.097 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.683 8.450 -4.936 1.00 0.00 N ATOM 0 H LYS A 73 -14.305 5.269 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.927 5.108 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.650 8.021 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.836 6.973 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.767 5.613 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.545 6.237 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.862 8.041 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.355 7.126 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.740 8.648 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.033 9.635 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.074 9.201 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.142 8.481 -5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.858 7.525 -4.495 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.795 5.731 -2.581 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.445 6.083 -2.155 1.00 0.00 C ATOM 1051 C GLN A 74 -8.587 4.835 -1.972 1.00 0.00 C ATOM 1052 O GLN A 74 -7.424 4.805 -2.372 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.494 6.880 -0.850 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.561 8.080 -0.835 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.897 9.065 0.268 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.686 9.989 0.072 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.296 8.871 1.437 1.00 0.00 N ATOM 0 H GLN A 74 -11.024 4.742 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.994 6.698 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.515 7.222 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.237 6.220 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.534 7.736 -0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.612 8.587 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.649 8.091 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.482 9.502 2.217 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.170 3.806 -1.365 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.445 2.570 -1.139 1.00 0.00 C ATOM 1068 C GLY A 75 -8.143 1.830 -2.427 1.00 0.00 C ATOM 1069 O GLY A 75 -9.050 1.323 -3.087 1.00 0.00 O ATOM 0 H GLY A 75 -10.132 3.807 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.511 2.790 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.028 1.925 -0.482 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.865 1.769 -2.786 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.444 1.086 -4.004 1.00 0.00 C ATOM 1075 C LEU A 76 -5.418 0.002 -3.693 1.00 0.00 C ATOM 1076 O LEU A 76 -4.547 0.183 -2.843 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.858 2.089 -5.000 1.00 0.00 C ATOM 1078 CG LEU A 76 -6.175 1.804 -6.469 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -7.441 2.533 -6.892 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -5.004 2.206 -7.354 1.00 0.00 C ATOM 0 H LEU A 76 -6.103 2.184 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.321 0.614 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.228 3.084 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.775 2.111 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.341 0.733 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.651 2.319 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.277 2.197 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.304 3.606 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.247 1.996 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.807 3.271 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.119 1.639 -7.066 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.528 -1.126 -4.386 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.609 -2.241 -4.184 1.00 0.00 C ATOM 1094 C PHE A 77 -3.608 -2.335 -5.331 1.00 0.00 C ATOM 1095 O PHE A 77 -3.970 -2.190 -6.498 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.385 -3.553 -4.061 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.446 -3.525 -2.996 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.107 -3.659 -1.660 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.780 -3.364 -3.334 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -7.080 -3.633 -0.678 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.757 -3.337 -2.357 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.407 -3.473 -1.028 1.00 0.00 C ATOM 0 H PHE A 77 -6.244 -1.293 -5.093 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.060 -2.064 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.850 -3.782 -5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.686 -4.361 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.071 -3.785 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.059 -3.258 -4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.803 -3.738 0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.793 -3.210 -2.633 1.00 0.00 H new ATOM 0 HZ PHE A 77 -9.169 -3.454 -0.263 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.346 -2.577 -4.990 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.293 -2.689 -5.992 1.00 0.00 C ATOM 1114 C ALA A 78 -0.233 -3.699 -5.565 1.00 0.00 C ATOM 1115 O ALA A 78 -0.189 -4.116 -4.408 1.00 0.00 O ATOM 1116 CB ALA A 78 -0.657 -1.329 -6.242 1.00 0.00 C ATOM 0 H ALA A 78 -2.028 -2.699 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.744 -3.045 -6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.128 -1.427 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.416 -0.633 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.227 -0.952 -5.314 1.00 0.00 H new ATOM 1122 N SER A 79 0.619 -4.088 -6.507 1.00 0.00 N ATOM 1123 CA SER A 79 1.681 -5.048 -6.230 1.00 0.00 C ATOM 1124 C SER A 79 2.898 -4.353 -5.629 1.00 0.00 C ATOM 1125 O SER A 79 3.168 -3.189 -5.922 1.00 0.00 O ATOM 1126 CB SER A 79 2.079 -5.785 -7.510 1.00 0.00 C ATOM 1127 OG SER A 79 0.966 -5.947 -8.372 1.00 0.00 O ATOM 0 H SER A 79 0.595 -3.753 -7.470 1.00 0.00 H new ATOM 0 HA SER A 79 1.304 -5.771 -5.507 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.863 -5.230 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.493 -6.761 -7.258 1.00 0.00 H new ATOM 0 HG SER A 79 1.247 -6.419 -9.184 1.00 0.00 H new ATOM 1133 N VAL A 80 3.632 -5.076 -4.787 1.00 0.00 N ATOM 1134 CA VAL A 80 4.821 -4.529 -4.146 1.00 0.00 C ATOM 1135 C VAL A 80 5.831 -4.042 -5.179 1.00 0.00 C ATOM 1136 O VAL A 80 6.493 -3.022 -4.984 1.00 0.00 O ATOM 1137 CB VAL A 80 5.497 -5.572 -3.237 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.624 -5.875 -2.030 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.803 -6.840 -4.017 1.00 0.00 C ATOM 0 H VAL A 80 3.423 -6.042 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 80 4.492 -3.685 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 80 6.439 -5.158 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.119 -6.614 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.463 -4.961 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.664 -6.268 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.280 -7.566 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.876 -7.259 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.472 -6.605 -4.845 1.00 0.00 H new ATOM 1149 N SER A 81 5.944 -4.778 -6.280 1.00 0.00 N ATOM 1150 CA SER A 81 6.874 -4.421 -7.345 1.00 0.00 C ATOM 1151 C SER A 81 6.480 -3.099 -7.998 1.00 0.00 C ATOM 1152 O SER A 81 7.320 -2.403 -8.568 1.00 0.00 O ATOM 1153 CB SER A 81 6.921 -5.528 -8.400 1.00 0.00 C ATOM 1154 OG SER A 81 8.112 -5.454 -9.164 1.00 0.00 O ATOM 0 H SER A 81 5.404 -5.625 -6.458 1.00 0.00 H new ATOM 0 HA SER A 81 7.863 -4.304 -6.902 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.857 -6.501 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.057 -5.444 -9.059 1.00 0.00 H new ATOM 0 HG SER A 81 8.119 -6.173 -9.830 1.00 0.00 H new ATOM 1160 N LYS A 82 5.197 -2.758 -7.915 1.00 0.00 N ATOM 1161 CA LYS A 82 4.696 -1.519 -8.499 1.00 0.00 C ATOM 1162 C LYS A 82 4.602 -0.414 -7.450 1.00 0.00 C ATOM 1163 O LYS A 82 3.782 0.496 -7.568 1.00 0.00 O ATOM 1164 CB LYS A 82 3.324 -1.751 -9.137 1.00 0.00 C ATOM 1165 CG LYS A 82 3.237 -3.032 -9.950 1.00 0.00 C ATOM 1166 CD LYS A 82 3.936 -2.889 -11.294 1.00 0.00 C ATOM 1167 CE LYS A 82 5.284 -3.592 -11.299 1.00 0.00 C ATOM 1168 NZ LYS A 82 6.302 -2.835 -12.080 1.00 0.00 N ATOM 0 H LYS A 82 4.486 -3.322 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 82 5.400 -1.201 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.568 -1.777 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.085 -0.905 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.688 -3.851 -9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.191 -3.293 -10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.305 -3.305 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.075 -1.832 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.632 -3.717 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.171 -4.591 -11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.207 -3.347 -12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.982 -2.737 -13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.429 -1.891 -11.662 1.00 0.00 H new ATOM 1182 N ILE A 83 5.446 -0.499 -6.426 1.00 0.00 N ATOM 1183 CA ILE A 83 5.455 0.495 -5.360 1.00 0.00 C ATOM 1184 C ILE A 83 6.849 0.645 -4.761 1.00 0.00 C ATOM 1185 O ILE A 83 7.586 -0.332 -4.624 1.00 0.00 O ATOM 1186 CB ILE A 83 4.462 0.131 -4.238 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.082 -0.170 -4.825 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.376 1.258 -3.219 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.047 -0.532 -3.782 1.00 0.00 C ATOM 0 H ILE A 83 6.132 -1.246 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 83 5.150 1.440 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 83 4.823 -0.764 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.735 0.700 -5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.170 -0.990 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.671 0.985 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.359 1.428 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.036 2.169 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.093 -0.732 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.371 -1.421 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.930 0.296 -3.083 1.00 0.00 H new ATOM 1201 N SER A 84 7.206 1.875 -4.405 1.00 0.00 N ATOM 1202 CA SER A 84 8.512 2.153 -3.820 1.00 0.00 C ATOM 1203 C SER A 84 8.367 2.741 -2.420 1.00 0.00 C ATOM 1204 O SER A 84 7.255 2.929 -1.928 1.00 0.00 O ATOM 1205 CB SER A 84 9.299 3.117 -4.711 1.00 0.00 C ATOM 1206 OG SER A 84 10.115 2.411 -5.630 1.00 0.00 O ATOM 0 H SER A 84 6.609 2.695 -4.512 1.00 0.00 H new ATOM 0 HA SER A 84 9.056 1.212 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.608 3.762 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.920 3.765 -4.092 1.00 0.00 H new ATOM 0 HG SER A 84 10.606 3.049 -6.189 1.00 0.00 H new ATOM 1212 N LYS A 85 9.498 3.029 -1.784 1.00 0.00 N ATOM 1213 CA LYS A 85 9.496 3.596 -0.441 1.00 0.00 C ATOM 1214 C LYS A 85 9.474 5.120 -0.492 1.00 0.00 C ATOM 1215 O LYS A 85 10.357 5.744 -1.081 1.00 0.00 O ATOM 1216 CB LYS A 85 10.722 3.114 0.339 1.00 0.00 C ATOM 1217 CG LYS A 85 10.384 2.531 1.701 1.00 0.00 C ATOM 1218 CD LYS A 85 11.433 2.893 2.740 1.00 0.00 C ATOM 1219 CE LYS A 85 11.738 1.720 3.657 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.156 1.724 4.113 1.00 0.00 N ATOM 0 H LYS A 85 10.427 2.879 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 85 8.594 3.258 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.244 2.360 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.410 3.949 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.410 2.899 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.306 1.447 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.347 3.212 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.083 3.738 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.078 1.756 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.528 0.787 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.323 0.908 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.786 1.664 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.351 2.603 4.634 1.00 0.00 H new ATOM 1234 N ALA A 86 8.460 5.714 0.128 1.00 0.00 N ATOM 1235 CA ALA A 86 8.322 7.165 0.153 1.00 0.00 C ATOM 1236 C ALA A 86 8.526 7.711 1.562 1.00 0.00 C ATOM 1237 O ALA A 86 7.565 8.077 2.242 1.00 0.00 O ATOM 1238 CB ALA A 86 6.959 7.575 -0.383 1.00 0.00 C ATOM 0 H ALA A 86 7.721 5.212 0.620 1.00 0.00 H new ATOM 0 HA ALA A 86 9.094 7.590 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.870 8.661 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.852 7.225 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.177 7.133 0.235 1.00 0.00 H new