USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 MET CE :methyl -172:sc= -1.42! (180deg=-1.44!) USER MOD Set 1.2: A 45 GLN : amide:sc= -0.0455 X(o=-1.5,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 30:sc= 0.181 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -4:sc= -6.12! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 64:sc= 0.901 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 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.236 USER MOD Single : A 67 TYR OH : rot -140:sc= -0.425 USER MOD Single : A 70 CYS SG : rot 57:sc= -1.34 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.4) USER MOD Single : A 79 SER OG : rot -10:sc= 0.208 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= -0.152 (180deg=-0.756) 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 5.574 -10.957 2.641 1.00 0.00 N ATOM 109 CA MET A 11 5.909 -9.981 1.611 1.00 0.00 C ATOM 110 C MET A 11 6.644 -8.786 2.212 1.00 0.00 C ATOM 111 O MET A 11 7.632 -8.307 1.655 1.00 0.00 O ATOM 112 CB MET A 11 4.641 -9.511 0.894 1.00 0.00 C ATOM 113 CG MET A 11 4.716 -9.640 -0.619 1.00 0.00 C ATOM 114 SD MET A 11 6.126 -8.764 -1.323 1.00 0.00 S ATOM 115 CE MET A 11 6.397 -9.707 -2.821 1.00 0.00 C ATOM 0 HA MET A 11 6.568 -10.462 0.889 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.792 -10.089 1.258 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.452 -8.469 1.153 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.778 -10.695 -0.887 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.797 -9.253 -1.059 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.322 -9.379 -3.295 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.471 -10.766 -2.576 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.563 -9.551 -3.505 1.00 0.00 H new ATOM 125 N LEU A 12 6.154 -8.309 3.353 1.00 0.00 N ATOM 126 CA LEU A 12 6.765 -7.171 4.030 1.00 0.00 C ATOM 127 C LEU A 12 8.215 -7.471 4.398 1.00 0.00 C ATOM 128 O LEU A 12 9.056 -6.572 4.429 1.00 0.00 O ATOM 129 CB LEU A 12 5.971 -6.813 5.287 1.00 0.00 C ATOM 130 CG LEU A 12 4.785 -5.874 5.059 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.859 -5.882 6.265 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.272 -4.462 4.767 1.00 0.00 C ATOM 0 H LEU A 12 5.337 -8.693 3.827 1.00 0.00 H new ATOM 0 HA LEU A 12 6.751 -6.323 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.604 -7.734 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.647 -6.351 6.006 1.00 0.00 H new ATOM 0 HG LEU A 12 4.225 -6.230 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.021 -5.208 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.484 -6.892 6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.407 -5.551 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.415 -3.807 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.856 -4.096 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.894 -4.470 3.872 1.00 0.00 H new ATOM 144 N SER A 13 8.499 -8.739 4.676 1.00 0.00 N ATOM 145 CA SER A 13 9.847 -9.157 5.042 1.00 0.00 C ATOM 146 C SER A 13 10.798 -9.030 3.856 1.00 0.00 C ATOM 147 O SER A 13 11.960 -8.659 4.015 1.00 0.00 O ATOM 148 CB SER A 13 9.836 -10.600 5.549 1.00 0.00 C ATOM 149 OG SER A 13 8.907 -11.388 4.824 1.00 0.00 O ATOM 0 H SER A 13 7.814 -9.494 4.655 1.00 0.00 H new ATOM 0 HA SER A 13 10.199 -8.502 5.839 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.833 -11.029 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.581 -10.615 6.609 1.00 0.00 H new ATOM 0 HG SER A 13 8.920 -12.306 5.166 1.00 0.00 H new ATOM 155 N ALA A 14 10.295 -9.342 2.665 1.00 0.00 N ATOM 156 CA ALA A 14 11.099 -9.263 1.452 1.00 0.00 C ATOM 157 C ALA A 14 11.428 -7.816 1.104 1.00 0.00 C ATOM 158 O ALA A 14 12.500 -7.522 0.573 1.00 0.00 O ATOM 159 CB ALA A 14 10.375 -9.935 0.295 1.00 0.00 C ATOM 0 H ALA A 14 9.335 -9.652 2.515 1.00 0.00 H new ATOM 0 HA ALA A 14 12.037 -9.787 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.987 -9.869 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.197 -10.983 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.422 -9.436 0.123 1.00 0.00 H new ATOM 165 N LEU A 15 10.499 -6.914 1.405 1.00 0.00 N ATOM 166 CA LEU A 15 10.691 -5.496 1.123 1.00 0.00 C ATOM 167 C LEU A 15 11.396 -4.801 2.283 1.00 0.00 C ATOM 168 O LEU A 15 12.182 -3.875 2.079 1.00 0.00 O ATOM 169 CB LEU A 15 9.345 -4.822 0.851 1.00 0.00 C ATOM 170 CG LEU A 15 8.527 -5.443 -0.284 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.086 -4.961 -0.228 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.151 -5.111 -1.631 1.00 0.00 C ATOM 0 H LEU A 15 9.606 -7.140 1.844 1.00 0.00 H new ATOM 0 HA LEU A 15 11.319 -5.409 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.751 -4.850 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.522 -3.772 0.618 1.00 0.00 H new ATOM 0 HG LEU A 15 8.531 -6.526 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.519 -5.413 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.643 -5.248 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.061 -3.876 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.557 -5.560 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.177 -4.029 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.166 -5.506 -1.669 1.00 0.00 H new ATOM 184 N GLY A 16 11.108 -5.251 3.500 1.00 0.00 N ATOM 185 CA GLY A 16 11.723 -4.661 4.673 1.00 0.00 C ATOM 186 C GLY A 16 11.083 -3.342 5.063 1.00 0.00 C ATOM 187 O GLY A 16 11.775 -2.389 5.419 1.00 0.00 O ATOM 0 H GLY A 16 10.459 -6.014 3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.649 -5.358 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.785 -4.504 4.482 1.00 0.00 H new ATOM 191 N LEU A 17 9.756 -3.289 4.993 1.00 0.00 N ATOM 192 CA LEU A 17 9.021 -2.078 5.341 1.00 0.00 C ATOM 193 C LEU A 17 7.970 -2.367 6.408 1.00 0.00 C ATOM 194 O LEU A 17 7.504 -3.498 6.543 1.00 0.00 O ATOM 195 CB LEU A 17 8.353 -1.487 4.097 1.00 0.00 C ATOM 196 CG LEU A 17 8.087 0.017 4.158 1.00 0.00 C ATOM 197 CD1 LEU A 17 9.362 0.796 3.881 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.998 0.404 3.170 1.00 0.00 C ATOM 0 H LEU A 17 9.169 -4.069 4.699 1.00 0.00 H new ATOM 0 HA LEU A 17 9.731 -1.355 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.983 -1.694 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.406 -2.002 3.933 1.00 0.00 H new ATOM 0 HG LEU A 17 7.745 0.267 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.153 1.865 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.114 0.540 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.735 0.543 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.821 1.478 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.312 0.140 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.079 -0.129 3.414 1.00 0.00 H new ATOM 210 N ARG A 18 7.602 -1.336 7.163 1.00 0.00 N ATOM 211 CA ARG A 18 6.605 -1.479 8.218 1.00 0.00 C ATOM 212 C ARG A 18 5.348 -0.682 7.889 1.00 0.00 C ATOM 213 O ARG A 18 5.410 0.347 7.216 1.00 0.00 O ATOM 214 CB ARG A 18 7.181 -1.016 9.558 1.00 0.00 C ATOM 215 CG ARG A 18 8.133 -2.019 10.190 1.00 0.00 C ATOM 216 CD ARG A 18 8.427 -1.672 11.641 1.00 0.00 C ATOM 217 NE ARG A 18 8.260 -2.825 12.523 1.00 0.00 N ATOM 218 CZ ARG A 18 7.080 -3.264 12.954 1.00 0.00 C ATOM 219 NH1 ARG A 18 5.962 -2.651 12.587 1.00 0.00 N ATOM 220 NH2 ARG A 18 7.017 -4.320 13.754 1.00 0.00 N ATOM 0 H ARG A 18 7.979 -0.393 7.064 1.00 0.00 H new ATOM 0 HA ARG A 18 6.336 -2.533 8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.706 -0.072 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.361 -0.821 10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.700 -3.018 10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.065 -2.044 9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.447 -1.296 11.725 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.764 -0.869 11.964 1.00 0.00 H new ATOM 0 HE ARG A 18 9.097 -3.323 12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.004 -1.839 11.971 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.060 -2.992 12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.873 -4.796 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.112 -4.656 14.084 1.00 0.00 H new ATOM 234 N LEU A 19 4.205 -1.164 8.370 1.00 0.00 N ATOM 235 CA LEU A 19 2.932 -0.495 8.128 1.00 0.00 C ATOM 236 C LEU A 19 2.944 0.921 8.698 1.00 0.00 C ATOM 237 O LEU A 19 3.606 1.191 9.700 1.00 0.00 O ATOM 238 CB LEU A 19 1.785 -1.296 8.745 1.00 0.00 C ATOM 239 CG LEU A 19 1.652 -2.733 8.239 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.852 -3.574 9.222 1.00 0.00 C ATOM 241 CD2 LEU A 19 1.002 -2.754 6.863 1.00 0.00 C ATOM 0 H LEU A 19 4.135 -2.014 8.929 1.00 0.00 H new ATOM 0 HA LEU A 19 2.783 -0.432 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.919 -1.319 9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.850 -0.771 8.551 1.00 0.00 H new ATOM 0 HG LEU A 19 2.650 -3.163 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.768 -4.593 8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.358 -3.585 10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.144 -3.147 9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.915 -3.784 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.010 -2.306 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.615 -2.187 6.162 1.00 0.00 H new ATOM 253 N GLY A 20 2.207 1.819 8.053 1.00 0.00 N ATOM 254 CA GLY A 20 2.146 3.194 8.511 1.00 0.00 C ATOM 255 C GLY A 20 2.950 4.133 7.633 1.00 0.00 C ATOM 256 O GLY A 20 2.551 5.275 7.405 1.00 0.00 O ATOM 0 H GLY A 20 1.651 1.619 7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.106 3.521 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.518 3.250 9.534 1.00 0.00 H new ATOM 260 N ASP A 21 4.088 3.653 7.141 1.00 0.00 N ATOM 261 CA ASP A 21 4.950 4.459 6.285 1.00 0.00 C ATOM 262 C ASP A 21 4.298 4.697 4.926 1.00 0.00 C ATOM 263 O ASP A 21 3.497 3.887 4.460 1.00 0.00 O ATOM 264 CB ASP A 21 6.304 3.772 6.099 1.00 0.00 C ATOM 265 CG ASP A 21 7.418 4.759 5.806 1.00 0.00 C ATOM 266 OD1 ASP A 21 7.392 5.869 6.378 1.00 0.00 O ATOM 267 OD2 ASP A 21 8.316 4.421 5.006 1.00 0.00 O ATOM 0 H ASP A 21 4.434 2.710 7.321 1.00 0.00 H new ATOM 0 HA ASP A 21 5.102 5.423 6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.549 3.208 6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.235 3.054 5.282 1.00 0.00 H new ATOM 272 N ARG A 22 4.646 5.815 4.297 1.00 0.00 N ATOM 273 CA ARG A 22 4.094 6.160 2.992 1.00 0.00 C ATOM 274 C ARG A 22 4.808 5.399 1.880 1.00 0.00 C ATOM 275 O ARG A 22 5.902 4.871 2.079 1.00 0.00 O ATOM 276 CB ARG A 22 4.209 7.666 2.749 1.00 0.00 C ATOM 277 CG ARG A 22 3.207 8.488 3.545 1.00 0.00 C ATOM 278 CD ARG A 22 3.894 9.342 4.601 1.00 0.00 C ATOM 279 NE ARG A 22 3.903 10.758 4.239 1.00 0.00 N ATOM 280 CZ ARG A 22 4.718 11.657 4.785 1.00 0.00 C ATOM 281 NH1 ARG A 22 5.590 11.294 5.716 1.00 0.00 N ATOM 282 NH2 ARG A 22 4.661 12.924 4.397 1.00 0.00 N ATOM 0 H ARG A 22 5.307 6.497 4.669 1.00 0.00 H new ATOM 0 HA ARG A 22 3.042 5.876 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.218 7.991 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.069 7.866 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.643 9.130 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.490 7.822 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.385 9.215 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.919 8.996 4.737 1.00 0.00 H new ATOM 0 HE ARG A 22 3.246 11.076 3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.639 10.321 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.212 11.988 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.993 13.208 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.285 13.614 4.815 1.00 0.00 H new ATOM 296 N VAL A 23 4.181 5.345 0.709 1.00 0.00 N ATOM 297 CA VAL A 23 4.757 4.649 -0.435 1.00 0.00 C ATOM 298 C VAL A 23 4.369 5.327 -1.744 1.00 0.00 C ATOM 299 O VAL A 23 3.287 5.902 -1.860 1.00 0.00 O ATOM 300 CB VAL A 23 4.308 3.177 -0.481 1.00 0.00 C ATOM 301 CG1 VAL A 23 5.023 2.365 0.587 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.799 3.074 -0.318 1.00 0.00 C ATOM 0 H VAL A 23 3.274 5.775 0.528 1.00 0.00 H new ATOM 0 HA VAL A 23 5.840 4.688 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 23 4.575 2.766 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.692 1.328 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.099 2.411 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.791 2.774 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.500 2.026 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.506 3.503 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.308 3.619 -1.124 1.00 0.00 H new ATOM 312 N LEU A 24 5.259 5.256 -2.728 1.00 0.00 N ATOM 313 CA LEU A 24 5.009 5.864 -4.030 1.00 0.00 C ATOM 314 C LEU A 24 4.207 4.924 -4.924 1.00 0.00 C ATOM 315 O LEU A 24 4.651 3.819 -5.237 1.00 0.00 O ATOM 316 CB LEU A 24 6.331 6.227 -4.709 1.00 0.00 C ATOM 317 CG LEU A 24 6.292 7.493 -5.567 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.940 8.704 -4.716 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.626 7.702 -6.268 1.00 0.00 C ATOM 0 H LEU A 24 6.160 4.784 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 24 4.427 6.772 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.095 6.350 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.642 5.391 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 24 5.519 7.371 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.917 9.595 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.961 8.556 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.689 8.830 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.581 8.607 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.416 7.803 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.838 6.846 -6.909 1.00 0.00 H new ATOM 331 N LEU A 25 3.024 5.370 -5.333 1.00 0.00 N ATOM 332 CA LEU A 25 2.159 4.569 -6.191 1.00 0.00 C ATOM 333 C LEU A 25 2.225 5.055 -7.636 1.00 0.00 C ATOM 334 O LEU A 25 2.015 6.235 -7.915 1.00 0.00 O ATOM 335 CB LEU A 25 0.715 4.622 -5.688 1.00 0.00 C ATOM 336 CG LEU A 25 0.540 4.351 -4.194 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.850 4.765 -3.735 1.00 0.00 C ATOM 338 CD2 LEU A 25 0.789 2.881 -3.888 1.00 0.00 C ATOM 0 H LEU A 25 2.642 6.282 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 25 2.510 3.538 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.304 5.606 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.125 3.894 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 25 1.272 4.946 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.956 4.564 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.992 5.830 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.599 4.198 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.660 2.705 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.080 2.268 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.805 2.616 -4.180 1.00 0.00 H new ATOM 350 N ASP A 26 2.517 4.136 -8.550 1.00 0.00 N ATOM 351 CA ASP A 26 2.611 4.468 -9.967 1.00 0.00 C ATOM 352 C ASP A 26 3.680 5.531 -10.213 1.00 0.00 C ATOM 353 O ASP A 26 3.645 6.236 -11.222 1.00 0.00 O ATOM 354 CB ASP A 26 1.258 4.959 -10.487 1.00 0.00 C ATOM 355 CG ASP A 26 0.947 4.434 -11.875 1.00 0.00 C ATOM 356 OD1 ASP A 26 1.898 4.212 -12.652 1.00 0.00 O ATOM 357 OD2 ASP A 26 -0.248 4.245 -12.183 1.00 0.00 O ATOM 0 H ASP A 26 2.693 3.155 -8.335 1.00 0.00 H new ATOM 0 HA ASP A 26 2.896 3.564 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.472 4.647 -9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.252 6.049 -10.504 1.00 0.00 H new ATOM 362 N GLY A 27 4.630 5.640 -9.288 1.00 0.00 N ATOM 363 CA GLY A 27 5.694 6.618 -9.428 1.00 0.00 C ATOM 364 C GLY A 27 5.170 8.027 -9.642 1.00 0.00 C ATOM 365 O GLY A 27 5.560 8.702 -10.594 1.00 0.00 O ATOM 0 H GLY A 27 4.682 5.069 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.319 6.599 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.330 6.340 -10.269 1.00 0.00 H new ATOM 369 N GLN A 28 4.287 8.470 -8.753 1.00 0.00 N ATOM 370 CA GLN A 28 3.711 9.806 -8.851 1.00 0.00 C ATOM 371 C GLN A 28 2.792 10.092 -7.668 1.00 0.00 C ATOM 372 O GLN A 28 2.882 11.148 -7.041 1.00 0.00 O ATOM 373 CB GLN A 28 2.935 9.955 -10.161 1.00 0.00 C ATOM 374 CG GLN A 28 1.813 8.942 -10.322 1.00 0.00 C ATOM 375 CD GLN A 28 1.334 8.827 -11.755 1.00 0.00 C ATOM 376 OE1 GLN A 28 1.546 7.807 -12.412 1.00 0.00 O ATOM 377 NE2 GLN A 28 0.683 9.873 -12.249 1.00 0.00 N ATOM 0 H GLN A 28 3.955 7.924 -7.958 1.00 0.00 H new ATOM 0 HA GLN A 28 4.528 10.527 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.516 10.960 -10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.627 9.854 -10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.157 7.966 -9.978 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.976 9.228 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.529 10.698 -11.669 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.336 9.852 -13.208 1.00 0.00 H new ATOM 386 N LYS A 29 1.911 9.144 -7.367 1.00 0.00 N ATOM 387 CA LYS A 29 0.975 9.296 -6.258 1.00 0.00 C ATOM 388 C LYS A 29 1.638 8.931 -4.934 1.00 0.00 C ATOM 389 O LYS A 29 2.655 8.238 -4.906 1.00 0.00 O ATOM 390 CB LYS A 29 -0.259 8.419 -6.482 1.00 0.00 C ATOM 391 CG LYS A 29 -1.141 8.892 -7.626 1.00 0.00 C ATOM 392 CD LYS A 29 -1.923 7.741 -8.240 1.00 0.00 C ATOM 393 CE LYS A 29 -1.958 7.837 -9.757 1.00 0.00 C ATOM 394 NZ LYS A 29 -2.161 6.506 -10.392 1.00 0.00 N ATOM 0 H LYS A 29 1.825 8.263 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 29 0.667 10.341 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.063 7.397 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.849 8.395 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.834 9.651 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.524 9.363 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.471 6.794 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.941 7.743 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.760 8.510 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.025 8.272 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.179 6.614 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.382 5.871 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.064 6.102 -10.070 1.00 0.00 H new ATOM 408 N THR A 30 1.054 9.402 -3.837 1.00 0.00 N ATOM 409 CA THR A 30 1.587 9.126 -2.507 1.00 0.00 C ATOM 410 C THR A 30 0.502 8.570 -1.591 1.00 0.00 C ATOM 411 O THR A 30 -0.543 9.193 -1.401 1.00 0.00 O ATOM 412 CB THR A 30 2.181 10.398 -1.899 1.00 0.00 C ATOM 413 OG1 THR A 30 1.223 11.440 -1.880 1.00 0.00 O ATOM 414 CG2 THR A 30 3.396 10.906 -2.644 1.00 0.00 C ATOM 0 H THR A 30 0.211 9.977 -3.842 1.00 0.00 H new ATOM 0 HA THR A 30 2.373 8.377 -2.606 1.00 0.00 H new ATOM 0 HB THR A 30 2.483 10.121 -0.889 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.324 11.057 -1.801 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.767 11.810 -2.161 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.174 10.143 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.123 11.132 -3.675 1.00 0.00 H new ATOM 422 N GLY A 31 0.757 7.395 -1.025 1.00 0.00 N ATOM 423 CA GLY A 31 -0.207 6.775 -0.136 1.00 0.00 C ATOM 424 C GLY A 31 0.436 6.213 1.116 1.00 0.00 C ATOM 425 O GLY A 31 1.653 6.293 1.287 1.00 0.00 O ATOM 0 H GLY A 31 1.615 6.861 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.962 7.509 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.723 5.975 -0.666 1.00 0.00 H new ATOM 429 N THR A 32 -0.382 5.643 1.995 1.00 0.00 N ATOM 430 CA THR A 32 0.114 5.065 3.239 1.00 0.00 C ATOM 431 C THR A 32 -0.119 3.558 3.269 1.00 0.00 C ATOM 432 O THR A 32 -1.127 3.065 2.761 1.00 0.00 O ATOM 433 CB THR A 32 -0.570 5.721 4.439 1.00 0.00 C ATOM 434 OG1 THR A 32 -0.721 7.114 4.229 1.00 0.00 O ATOM 435 CG2 THR A 32 0.187 5.532 5.737 1.00 0.00 C ATOM 0 H THR A 32 -1.391 5.569 1.869 1.00 0.00 H new ATOM 0 HA THR A 32 1.187 5.251 3.294 1.00 0.00 H new ATOM 0 HB THR A 32 -1.538 5.227 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.162 7.516 5.006 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.353 6.022 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.279 4.468 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.181 5.970 5.646 1.00 0.00 H new ATOM 443 N LEU A 33 0.819 2.831 3.868 1.00 0.00 N ATOM 444 CA LEU A 33 0.716 1.380 3.965 1.00 0.00 C ATOM 445 C LEU A 33 -0.217 0.976 5.102 1.00 0.00 C ATOM 446 O LEU A 33 0.019 1.315 6.262 1.00 0.00 O ATOM 447 CB LEU A 33 2.099 0.761 4.179 1.00 0.00 C ATOM 448 CG LEU A 33 2.233 -0.695 3.734 1.00 0.00 C ATOM 449 CD1 LEU A 33 2.073 -0.811 2.225 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.574 -1.264 4.175 1.00 0.00 C ATOM 0 H LEU A 33 1.659 3.223 4.293 1.00 0.00 H new ATOM 0 HA LEU A 33 0.301 1.007 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.835 1.358 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.349 0.826 5.238 1.00 0.00 H new ATOM 0 HG LEU A 33 1.440 -1.274 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.172 -1.855 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.089 -0.442 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.843 -0.219 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.654 -2.301 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.381 -0.682 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.650 -1.217 5.261 1.00 0.00 H new ATOM 462 N ARG A 34 -1.277 0.250 4.763 1.00 0.00 N ATOM 463 CA ARG A 34 -2.245 -0.201 5.756 1.00 0.00 C ATOM 464 C ARG A 34 -2.303 -1.723 5.811 1.00 0.00 C ATOM 465 O ARG A 34 -2.306 -2.316 6.890 1.00 0.00 O ATOM 466 CB ARG A 34 -3.632 0.362 5.438 1.00 0.00 C ATOM 467 CG ARG A 34 -3.728 1.871 5.593 1.00 0.00 C ATOM 468 CD ARG A 34 -5.168 2.352 5.519 1.00 0.00 C ATOM 469 NE ARG A 34 -5.597 2.992 6.761 1.00 0.00 N ATOM 470 CZ ARG A 34 -6.681 3.758 6.866 1.00 0.00 C ATOM 471 NH1 ARG A 34 -7.449 3.980 5.806 1.00 0.00 N ATOM 472 NH2 ARG A 34 -6.998 4.301 8.032 1.00 0.00 N ATOM 0 H ARG A 34 -1.488 -0.039 3.808 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.924 0.166 6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.898 0.093 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.365 -0.109 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.294 2.167 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.142 2.355 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.273 3.056 4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.822 1.507 5.302 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.032 2.843 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.210 3.563 4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.278 4.567 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.412 4.132 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.828 4.888 8.112 1.00 0.00 H new ATOM 486 N PHE A 35 -2.348 -2.352 4.640 1.00 0.00 N ATOM 487 CA PHE A 35 -2.406 -3.806 4.556 1.00 0.00 C ATOM 488 C PHE A 35 -1.325 -4.342 3.623 1.00 0.00 C ATOM 489 O PHE A 35 -0.976 -3.704 2.630 1.00 0.00 O ATOM 490 CB PHE A 35 -3.785 -4.256 4.070 1.00 0.00 C ATOM 491 CG PHE A 35 -3.981 -5.744 4.111 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.509 -6.547 3.085 1.00 0.00 C ATOM 493 CD2 PHE A 35 -4.638 -6.340 5.176 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.688 -7.917 3.121 1.00 0.00 C ATOM 495 CE2 PHE A 35 -4.820 -7.710 5.216 1.00 0.00 C ATOM 496 CZ PHE A 35 -4.344 -8.499 4.187 1.00 0.00 C ATOM 0 H PHE A 35 -2.345 -1.877 3.737 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.231 -4.209 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.550 -3.780 4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.933 -3.907 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.996 -6.097 2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.012 -5.728 5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.315 -8.532 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.334 -8.163 6.051 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.485 -9.569 4.216 1.00 0.00 H new ATOM 506 N CYS A 36 -0.801 -5.519 3.947 1.00 0.00 N ATOM 507 CA CYS A 36 0.239 -6.143 3.138 1.00 0.00 C ATOM 508 C CYS A 36 0.177 -7.662 3.247 1.00 0.00 C ATOM 509 O CYS A 36 0.254 -8.220 4.342 1.00 0.00 O ATOM 510 CB CYS A 36 1.620 -5.646 3.573 1.00 0.00 C ATOM 511 SG CYS A 36 1.813 -3.850 3.506 1.00 0.00 S ATOM 0 H CYS A 36 -1.080 -6.061 4.765 1.00 0.00 H new ATOM 0 HA CYS A 36 0.070 -5.864 2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.811 -5.983 4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.377 -6.106 2.937 1.00 0.00 H new ATOM 0 HG CYS A 36 0.741 -3.317 2.999 1.00 0.00 H new ATOM 517 N GLY A 37 0.035 -8.328 2.105 1.00 0.00 N ATOM 518 CA GLY A 37 -0.035 -9.778 2.095 1.00 0.00 C ATOM 519 C GLY A 37 -0.708 -10.318 0.849 1.00 0.00 C ATOM 520 O GLY A 37 -0.411 -9.882 -0.263 1.00 0.00 O ATOM 0 H GLY A 37 -0.033 -7.889 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.973 -10.188 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.581 -10.118 2.975 1.00 0.00 H new ATOM 524 N THR A 38 -1.617 -11.270 1.036 1.00 0.00 N ATOM 525 CA THR A 38 -2.335 -11.871 -0.083 1.00 0.00 C ATOM 526 C THR A 38 -3.832 -11.604 0.026 1.00 0.00 C ATOM 527 O THR A 38 -4.283 -10.895 0.925 1.00 0.00 O ATOM 528 CB THR A 38 -2.074 -13.378 -0.130 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.550 -14.006 1.047 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.610 -13.729 -0.279 1.00 0.00 C ATOM 0 H THR A 38 -1.874 -11.642 1.951 1.00 0.00 H new ATOM 0 HA THR A 38 -1.971 -11.417 -1.005 1.00 0.00 H new ATOM 0 HB THR A 38 -2.606 -13.735 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.376 -14.969 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.497 -14.813 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.226 -13.301 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.051 -13.326 0.566 1.00 0.00 H new ATOM 538 N THR A 39 -4.599 -12.178 -0.896 1.00 0.00 N ATOM 539 CA THR A 39 -6.047 -12.002 -0.904 1.00 0.00 C ATOM 540 C THR A 39 -6.760 -13.342 -0.755 1.00 0.00 C ATOM 541 O THR A 39 -6.119 -14.390 -0.668 1.00 0.00 O ATOM 542 CB THR A 39 -6.491 -11.317 -2.197 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.876 -11.921 -3.321 1.00 0.00 O ATOM 544 CG2 THR A 39 -6.166 -9.839 -2.234 1.00 0.00 C ATOM 0 H THR A 39 -4.242 -12.769 -1.647 1.00 0.00 H new ATOM 0 HA THR A 39 -6.315 -11.372 -0.056 1.00 0.00 H new ATOM 0 HB THR A 39 -7.574 -11.435 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.171 -12.853 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.508 -9.415 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.667 -9.335 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.089 -9.701 -2.143 1.00 0.00 H new ATOM 552 N GLU A 40 -8.087 -13.300 -0.725 1.00 0.00 N ATOM 553 CA GLU A 40 -8.888 -14.511 -0.587 1.00 0.00 C ATOM 554 C GLU A 40 -9.688 -14.783 -1.857 1.00 0.00 C ATOM 555 O GLU A 40 -9.873 -15.934 -2.251 1.00 0.00 O ATOM 556 CB GLU A 40 -9.836 -14.386 0.608 1.00 0.00 C ATOM 557 CG GLU A 40 -9.122 -14.362 1.949 1.00 0.00 C ATOM 558 CD GLU A 40 -10.079 -14.205 3.116 1.00 0.00 C ATOM 559 OE1 GLU A 40 -10.814 -13.196 3.148 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.094 -15.092 3.995 1.00 0.00 O ATOM 0 H GLU A 40 -8.631 -12.440 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.210 -15.348 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.423 -13.474 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.537 -15.220 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.554 -15.284 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.404 -13.542 1.960 1.00 0.00 H new ATOM 567 N PHE A 41 -10.159 -13.716 -2.494 1.00 0.00 N ATOM 568 CA PHE A 41 -10.938 -13.841 -3.721 1.00 0.00 C ATOM 569 C PHE A 41 -10.050 -14.253 -4.891 1.00 0.00 C ATOM 570 O PHE A 41 -10.502 -14.925 -5.818 1.00 0.00 O ATOM 571 CB PHE A 41 -11.641 -12.520 -4.040 1.00 0.00 C ATOM 572 CG PHE A 41 -10.721 -11.333 -4.038 1.00 0.00 C ATOM 573 CD1 PHE A 41 -9.929 -11.053 -5.140 1.00 0.00 C ATOM 574 CD2 PHE A 41 -10.649 -10.497 -2.935 1.00 0.00 C ATOM 575 CE1 PHE A 41 -9.081 -9.962 -5.142 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.804 -9.404 -2.932 1.00 0.00 C ATOM 577 CZ PHE A 41 -9.019 -9.136 -4.036 1.00 0.00 C ATOM 0 H PHE A 41 -10.015 -12.756 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.688 -14.617 -3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -12.117 -12.598 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -12.435 -12.355 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.975 -11.695 -6.007 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -11.260 -10.702 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.468 -9.755 -6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.757 -8.759 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.358 -8.282 -4.035 1.00 0.00 H new ATOM 587 N ALA A 42 -8.786 -13.844 -4.842 1.00 0.00 N ATOM 588 CA ALA A 42 -7.836 -14.172 -5.897 1.00 0.00 C ATOM 589 C ALA A 42 -6.508 -14.639 -5.313 1.00 0.00 C ATOM 590 O ALA A 42 -6.300 -14.588 -4.101 1.00 0.00 O ATOM 591 CB ALA A 42 -7.622 -12.970 -6.805 1.00 0.00 C ATOM 0 H ALA A 42 -8.397 -13.285 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.251 -14.990 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.910 -13.228 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.571 -12.682 -7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.231 -12.137 -6.220 1.00 0.00 H new ATOM 597 N SER A 43 -5.613 -15.094 -6.182 1.00 0.00 N ATOM 598 CA SER A 43 -4.302 -15.570 -5.751 1.00 0.00 C ATOM 599 C SER A 43 -3.197 -14.642 -6.241 1.00 0.00 C ATOM 600 O SER A 43 -3.227 -14.170 -7.378 1.00 0.00 O ATOM 601 CB SER A 43 -4.059 -16.991 -6.265 1.00 0.00 C ATOM 602 OG SER A 43 -4.086 -17.032 -7.681 1.00 0.00 O ATOM 0 H SER A 43 -5.770 -15.144 -7.189 1.00 0.00 H new ATOM 0 HA SER A 43 -4.286 -15.578 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.095 -17.351 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.819 -17.661 -5.864 1.00 0.00 H new ATOM 0 HG SER A 43 -3.927 -17.950 -7.985 1.00 0.00 H new ATOM 608 N GLY A 44 -2.222 -14.384 -5.377 1.00 0.00 N ATOM 609 CA GLY A 44 -1.120 -13.512 -5.741 1.00 0.00 C ATOM 610 C GLY A 44 -0.681 -12.623 -4.594 1.00 0.00 C ATOM 611 O GLY A 44 -1.055 -12.852 -3.444 1.00 0.00 O ATOM 0 H GLY A 44 -2.175 -14.763 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.276 -14.117 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.416 -12.890 -6.586 1.00 0.00 H new ATOM 615 N GLN A 45 0.116 -11.607 -4.907 1.00 0.00 N ATOM 616 CA GLN A 45 0.607 -10.681 -3.894 1.00 0.00 C ATOM 617 C GLN A 45 0.013 -9.290 -4.094 1.00 0.00 C ATOM 618 O GLN A 45 0.181 -8.678 -5.149 1.00 0.00 O ATOM 619 CB GLN A 45 2.135 -10.608 -3.937 1.00 0.00 C ATOM 620 CG GLN A 45 2.817 -11.569 -2.977 1.00 0.00 C ATOM 621 CD GLN A 45 3.662 -12.606 -3.690 1.00 0.00 C ATOM 622 OE1 GLN A 45 3.278 -13.125 -4.738 1.00 0.00 O ATOM 623 NE2 GLN A 45 4.824 -12.914 -3.124 1.00 0.00 N ATOM 0 H GLN A 45 0.436 -11.404 -5.854 1.00 0.00 H new ATOM 0 HA GLN A 45 0.296 -11.052 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.472 -10.821 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.449 -9.591 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.446 -11.004 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.061 -12.073 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.104 -12.460 -2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.436 -13.605 -3.559 1.00 0.00 H new ATOM 632 N TRP A 46 -0.681 -8.797 -3.073 1.00 0.00 N ATOM 633 CA TRP A 46 -1.299 -7.477 -3.136 1.00 0.00 C ATOM 634 C TRP A 46 -0.975 -6.666 -1.887 1.00 0.00 C ATOM 635 O TRP A 46 -0.522 -7.211 -0.880 1.00 0.00 O ATOM 636 CB TRP A 46 -2.815 -7.608 -3.295 1.00 0.00 C ATOM 637 CG TRP A 46 -3.220 -8.447 -4.468 1.00 0.00 C ATOM 638 CD1 TRP A 46 -3.137 -9.805 -4.572 1.00 0.00 C ATOM 639 CD2 TRP A 46 -3.771 -7.981 -5.705 1.00 0.00 C ATOM 640 NE1 TRP A 46 -3.603 -10.213 -5.799 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.998 -9.111 -6.513 1.00 0.00 C ATOM 642 CE3 TRP A 46 -4.094 -6.718 -6.209 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -4.533 -9.016 -7.795 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -4.626 -6.624 -7.482 1.00 0.00 C ATOM 645 CH2 TRP A 46 -4.841 -7.767 -8.261 1.00 0.00 C ATOM 0 H TRP A 46 -0.829 -9.291 -2.193 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.894 -6.954 -4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -3.232 -8.042 -2.386 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.249 -6.614 -3.402 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.760 -10.463 -3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.648 -11.178 -6.125 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.931 -5.831 -5.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.699 -9.896 -8.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.880 -5.653 -7.882 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.259 -7.661 -9.251 1.00 0.00 H new ATOM 656 N VAL A 47 -1.210 -5.359 -1.957 1.00 0.00 N ATOM 657 CA VAL A 47 -0.943 -4.473 -0.832 1.00 0.00 C ATOM 658 C VAL A 47 -1.923 -3.306 -0.806 1.00 0.00 C ATOM 659 O VAL A 47 -2.148 -2.649 -1.823 1.00 0.00 O ATOM 660 CB VAL A 47 0.495 -3.921 -0.880 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.498 -5.011 -0.538 1.00 0.00 C ATOM 662 CG2 VAL A 47 0.791 -3.323 -2.248 1.00 0.00 C ATOM 0 H VAL A 47 -1.585 -4.891 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.066 -5.067 0.074 1.00 0.00 H new ATOM 0 HB VAL A 47 0.586 -3.130 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.508 -4.602 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.298 -5.388 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.409 -5.826 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.811 -2.938 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.681 -4.092 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.093 -2.510 -2.448 1.00 0.00 H new ATOM 672 N GLY A 48 -2.503 -3.053 0.362 1.00 0.00 N ATOM 673 CA GLY A 48 -3.453 -1.964 0.498 1.00 0.00 C ATOM 674 C GLY A 48 -2.778 -0.642 0.810 1.00 0.00 C ATOM 675 O GLY A 48 -2.063 -0.522 1.804 1.00 0.00 O ATOM 0 H GLY A 48 -2.332 -3.582 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.025 -1.868 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.163 -2.202 1.290 1.00 0.00 H new ATOM 679 N VAL A 49 -3.006 0.351 -0.044 1.00 0.00 N ATOM 680 CA VAL A 49 -2.416 1.670 0.145 1.00 0.00 C ATOM 681 C VAL A 49 -3.482 2.760 0.103 1.00 0.00 C ATOM 682 O VAL A 49 -4.308 2.799 -0.809 1.00 0.00 O ATOM 683 CB VAL A 49 -1.350 1.969 -0.928 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.638 3.278 -0.628 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.353 0.822 -1.027 1.00 0.00 C ATOM 0 H VAL A 49 -3.595 0.267 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.942 1.666 1.126 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.852 2.069 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.110 3.470 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.363 4.092 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.150 3.212 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.391 1.052 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.142 0.686 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.878 -0.094 -1.297 1.00 0.00 H new ATOM 695 N GLU A 50 -3.459 3.642 1.097 1.00 0.00 N ATOM 696 CA GLU A 50 -4.424 4.733 1.173 1.00 0.00 C ATOM 697 C GLU A 50 -3.925 5.954 0.411 1.00 0.00 C ATOM 698 O GLU A 50 -2.861 6.495 0.712 1.00 0.00 O ATOM 699 CB GLU A 50 -4.693 5.102 2.633 1.00 0.00 C ATOM 700 CG GLU A 50 -6.099 5.622 2.880 1.00 0.00 C ATOM 701 CD GLU A 50 -6.198 6.464 4.137 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.173 7.055 4.538 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.300 6.532 4.721 1.00 0.00 O ATOM 0 H GLU A 50 -2.783 3.623 1.861 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.353 4.396 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.524 4.225 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.974 5.859 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.418 6.216 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.786 4.779 2.957 1.00 0.00 H new ATOM 710 N LEU A 51 -4.701 6.385 -0.579 1.00 0.00 N ATOM 711 CA LEU A 51 -4.337 7.544 -1.386 1.00 0.00 C ATOM 712 C LEU A 51 -4.478 8.832 -0.583 1.00 0.00 C ATOM 713 O LEU A 51 -5.434 9.002 0.174 1.00 0.00 O ATOM 714 CB LEU A 51 -5.212 7.613 -2.640 1.00 0.00 C ATOM 715 CG LEU A 51 -4.776 6.697 -3.784 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.939 6.431 -4.727 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.605 7.309 -4.539 1.00 0.00 C ATOM 0 H LEU A 51 -5.585 5.949 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.294 7.435 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.236 7.362 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.222 8.641 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.453 5.746 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.610 5.777 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.749 5.951 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.292 7.374 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.307 6.644 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.902 8.273 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.766 7.448 -3.858 1.00 0.00 H new ATOM 729 N ASP A 52 -3.519 9.737 -0.752 1.00 0.00 N ATOM 730 CA ASP A 52 -3.536 11.011 -0.042 1.00 0.00 C ATOM 731 C ASP A 52 -4.730 11.858 -0.474 1.00 0.00 C ATOM 732 O ASP A 52 -5.651 12.094 0.308 1.00 0.00 O ATOM 733 CB ASP A 52 -2.234 11.775 -0.291 1.00 0.00 C ATOM 734 CG ASP A 52 -1.641 12.336 0.986 1.00 0.00 C ATOM 735 OD1 ASP A 52 -0.860 11.618 1.644 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.957 13.495 1.328 1.00 0.00 O ATOM 0 H ASP A 52 -2.721 9.612 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.628 10.804 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.510 11.111 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.422 12.590 -0.990 1.00 0.00 H new ATOM 741 N GLU A 53 -4.707 12.310 -1.723 1.00 0.00 N ATOM 742 CA GLU A 53 -5.787 13.130 -2.259 1.00 0.00 C ATOM 743 C GLU A 53 -7.043 12.292 -2.488 1.00 0.00 C ATOM 744 O GLU A 53 -6.983 11.062 -2.511 1.00 0.00 O ATOM 745 CB GLU A 53 -5.352 13.790 -3.569 1.00 0.00 C ATOM 746 CG GLU A 53 -4.781 15.186 -3.387 1.00 0.00 C ATOM 747 CD GLU A 53 -3.573 15.442 -4.267 1.00 0.00 C ATOM 748 OE1 GLU A 53 -2.655 14.595 -4.277 1.00 0.00 O ATOM 749 OE2 GLU A 53 -3.545 16.489 -4.946 1.00 0.00 O ATOM 0 H GLU A 53 -3.952 12.122 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.018 13.906 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.604 13.161 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.208 13.842 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.553 15.922 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.502 15.327 -2.343 1.00 0.00 H new ATOM 756 N PRO A 54 -8.202 12.949 -2.662 1.00 0.00 N ATOM 757 CA PRO A 54 -9.475 12.256 -2.890 1.00 0.00 C ATOM 758 C PRO A 54 -9.506 11.529 -4.231 1.00 0.00 C ATOM 759 O PRO A 54 -10.071 12.025 -5.206 1.00 0.00 O ATOM 760 CB PRO A 54 -10.509 13.386 -2.870 1.00 0.00 C ATOM 761 CG PRO A 54 -9.741 14.614 -3.218 1.00 0.00 C ATOM 762 CD PRO A 54 -8.363 14.414 -2.651 1.00 0.00 C ATOM 0 HA PRO A 54 -9.656 11.484 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.308 13.203 -3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.976 13.477 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.702 14.757 -4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.212 15.502 -2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.603 14.907 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.280 14.820 -1.643 1.00 0.00 H new ATOM 770 N GLU A 55 -8.896 10.349 -4.271 1.00 0.00 N ATOM 771 CA GLU A 55 -8.853 9.550 -5.490 1.00 0.00 C ATOM 772 C GLU A 55 -8.936 8.062 -5.168 1.00 0.00 C ATOM 773 O GLU A 55 -8.699 7.649 -4.033 1.00 0.00 O ATOM 774 CB GLU A 55 -7.570 9.843 -6.272 1.00 0.00 C ATOM 775 CG GLU A 55 -7.717 10.972 -7.279 1.00 0.00 C ATOM 776 CD GLU A 55 -6.653 10.930 -8.359 1.00 0.00 C ATOM 777 OE1 GLU A 55 -6.735 10.051 -9.242 1.00 0.00 O ATOM 778 OE2 GLU A 55 -5.736 11.779 -8.321 1.00 0.00 O ATOM 0 H GLU A 55 -8.424 9.925 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.714 9.820 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.775 10.095 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.258 8.939 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.702 10.915 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.664 11.928 -6.758 1.00 0.00 H new ATOM 785 N GLY A 56 -9.277 7.261 -6.172 1.00 0.00 N ATOM 786 CA GLY A 56 -9.386 5.827 -5.974 1.00 0.00 C ATOM 787 C GLY A 56 -10.716 5.275 -6.445 1.00 0.00 C ATOM 788 O GLY A 56 -11.362 5.853 -7.318 1.00 0.00 O ATOM 0 H GLY A 56 -9.480 7.579 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.579 5.327 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.256 5.599 -4.916 1.00 0.00 H new ATOM 792 N LYS A 57 -11.127 4.152 -5.864 1.00 0.00 N ATOM 793 CA LYS A 57 -12.389 3.520 -6.230 1.00 0.00 C ATOM 794 C LYS A 57 -12.953 2.715 -5.063 1.00 0.00 C ATOM 795 O LYS A 57 -14.138 2.815 -4.742 1.00 0.00 O ATOM 796 CB LYS A 57 -12.195 2.611 -7.446 1.00 0.00 C ATOM 797 CG LYS A 57 -13.332 2.691 -8.452 1.00 0.00 C ATOM 798 CD LYS A 57 -13.319 4.010 -9.209 1.00 0.00 C ATOM 799 CE LYS A 57 -14.608 4.789 -9.000 1.00 0.00 C ATOM 800 NZ LYS A 57 -15.513 4.695 -10.179 1.00 0.00 N ATOM 0 H LYS A 57 -10.604 3.662 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.100 4.306 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.262 2.877 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.093 1.580 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.252 1.865 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.285 2.577 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.472 4.611 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.178 3.818 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.122 4.409 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.372 5.835 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.380 5.240 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.033 5.081 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.759 3.699 -10.349 1.00 0.00 H new ATOM 814 N ASN A 58 -12.098 1.916 -4.433 1.00 0.00 N ATOM 815 CA ASN A 58 -12.511 1.094 -3.302 1.00 0.00 C ATOM 816 C ASN A 58 -12.319 1.841 -1.986 1.00 0.00 C ATOM 817 O ASN A 58 -11.436 2.690 -1.866 1.00 0.00 O ATOM 818 CB ASN A 58 -11.720 -0.215 -3.280 1.00 0.00 C ATOM 819 CG ASN A 58 -12.002 -1.082 -4.490 1.00 0.00 C ATOM 820 OD1 ASN A 58 -13.139 -1.495 -4.720 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.967 -1.363 -5.273 1.00 0.00 N ATOM 0 H ASN A 58 -11.115 1.820 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.571 0.868 -3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.654 0.009 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.966 -0.769 -2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.097 -1.942 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.042 -1.000 -5.045 1.00 0.00 H new ATOM 828 N ASP A 59 -13.150 1.517 -1.000 1.00 0.00 N ATOM 829 CA ASP A 59 -13.071 2.157 0.307 1.00 0.00 C ATOM 830 C ASP A 59 -12.308 1.282 1.296 1.00 0.00 C ATOM 831 O ASP A 59 -12.634 1.238 2.482 1.00 0.00 O ATOM 832 CB ASP A 59 -14.475 2.446 0.842 1.00 0.00 C ATOM 833 CG ASP A 59 -15.354 3.136 -0.183 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.940 4.194 -0.703 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.454 2.618 -0.465 1.00 0.00 O ATOM 0 H ASP A 59 -13.885 0.815 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.533 3.098 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.944 1.511 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.400 3.071 1.732 1.00 0.00 H new ATOM 840 N GLY A 60 -11.289 0.587 0.800 1.00 0.00 N ATOM 841 CA GLY A 60 -10.496 -0.277 1.655 1.00 0.00 C ATOM 842 C GLY A 60 -11.114 -1.650 1.827 1.00 0.00 C ATOM 843 O GLY A 60 -10.917 -2.303 2.852 1.00 0.00 O ATOM 0 H GLY A 60 -10.999 0.607 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.497 -0.382 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.381 0.191 2.633 1.00 0.00 H new ATOM 847 N SER A 61 -11.863 -2.090 0.821 1.00 0.00 N ATOM 848 CA SER A 61 -12.512 -3.395 0.866 1.00 0.00 C ATOM 849 C SER A 61 -12.636 -3.989 -0.534 1.00 0.00 C ATOM 850 O SER A 61 -12.602 -3.267 -1.530 1.00 0.00 O ATOM 851 CB SER A 61 -13.895 -3.279 1.511 1.00 0.00 C ATOM 852 OG SER A 61 -14.080 -4.272 2.505 1.00 0.00 O ATOM 0 H SER A 61 -12.035 -1.562 -0.035 1.00 0.00 H new ATOM 0 HA SER A 61 -11.894 -4.060 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.011 -2.290 1.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.666 -3.378 0.746 1.00 0.00 H new ATOM 0 HG SER A 61 -14.970 -4.175 2.903 1.00 0.00 H new ATOM 858 N VAL A 62 -12.780 -5.309 -0.601 1.00 0.00 N ATOM 859 CA VAL A 62 -12.910 -5.999 -1.878 1.00 0.00 C ATOM 860 C VAL A 62 -13.856 -7.189 -1.767 1.00 0.00 C ATOM 861 O VAL A 62 -13.482 -8.247 -1.263 1.00 0.00 O ATOM 862 CB VAL A 62 -11.543 -6.491 -2.391 1.00 0.00 C ATOM 863 CG1 VAL A 62 -11.666 -7.027 -3.809 1.00 0.00 C ATOM 864 CG2 VAL A 62 -10.514 -5.372 -2.324 1.00 0.00 C ATOM 0 H VAL A 62 -12.809 -5.921 0.214 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.319 -5.279 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.205 -7.304 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.691 -7.370 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.369 -7.860 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.026 -6.236 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.555 -5.738 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.844 -4.537 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.405 -5.039 -1.292 1.00 0.00 H new ATOM 874 N GLY A 63 -15.086 -7.006 -2.239 1.00 0.00 N ATOM 875 CA GLY A 63 -16.068 -8.073 -2.183 1.00 0.00 C ATOM 876 C GLY A 63 -16.447 -8.438 -0.761 1.00 0.00 C ATOM 877 O GLY A 63 -17.218 -7.727 -0.116 1.00 0.00 O ATOM 0 H GLY A 63 -15.419 -6.138 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.962 -7.769 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.672 -8.954 -2.688 1.00 0.00 H new ATOM 881 N GLY A 64 -15.905 -9.547 -0.271 1.00 0.00 N ATOM 882 CA GLY A 64 -16.202 -9.985 1.081 1.00 0.00 C ATOM 883 C GLY A 64 -14.969 -10.025 1.962 1.00 0.00 C ATOM 884 O GLY A 64 -14.893 -10.819 2.899 1.00 0.00 O ATOM 0 H GLY A 64 -15.265 -10.151 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.939 -9.314 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.653 -10.977 1.047 1.00 0.00 H new ATOM 888 N VAL A 65 -14.001 -9.167 1.660 1.00 0.00 N ATOM 889 CA VAL A 65 -12.765 -9.106 2.430 1.00 0.00 C ATOM 890 C VAL A 65 -12.369 -7.662 2.719 1.00 0.00 C ATOM 891 O VAL A 65 -12.091 -6.890 1.802 1.00 0.00 O ATOM 892 CB VAL A 65 -11.607 -9.806 1.694 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.386 -9.908 2.593 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.038 -11.183 1.209 1.00 0.00 C ATOM 0 H VAL A 65 -14.049 -8.504 0.887 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.953 -9.625 3.370 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.339 -9.207 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.579 -10.405 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.065 -8.908 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.637 -10.484 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.207 -11.663 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.335 -11.793 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.881 -11.081 0.526 1.00 0.00 H new ATOM 904 N ARG A 66 -12.347 -7.304 3.998 1.00 0.00 N ATOM 905 CA ARG A 66 -11.985 -5.952 4.408 1.00 0.00 C ATOM 906 C ARG A 66 -10.547 -5.901 4.915 1.00 0.00 C ATOM 907 O ARG A 66 -10.089 -6.812 5.604 1.00 0.00 O ATOM 908 CB ARG A 66 -12.939 -5.454 5.496 1.00 0.00 C ATOM 909 CG ARG A 66 -13.028 -3.939 5.581 1.00 0.00 C ATOM 910 CD ARG A 66 -14.267 -3.494 6.341 1.00 0.00 C ATOM 911 NE ARG A 66 -14.987 -2.434 5.640 1.00 0.00 N ATOM 912 CZ ARG A 66 -16.094 -1.857 6.103 1.00 0.00 C ATOM 913 NH1 ARG A 66 -16.609 -2.233 7.267 1.00 0.00 N ATOM 914 NH2 ARG A 66 -16.686 -0.901 5.400 1.00 0.00 N ATOM 0 H ARG A 66 -12.576 -7.931 4.769 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.066 -5.302 3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.934 -5.858 5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.613 -5.845 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.138 -3.549 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.046 -3.518 4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.929 -4.347 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.978 -3.142 7.331 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.620 -2.117 4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.157 -2.967 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.457 -1.788 7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.293 -0.608 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.534 -0.458 5.754 1.00 0.00 H new ATOM 928 N TYR A 67 -9.841 -4.829 4.568 1.00 0.00 N ATOM 929 CA TYR A 67 -8.455 -4.659 4.988 1.00 0.00 C ATOM 930 C TYR A 67 -8.300 -3.417 5.861 1.00 0.00 C ATOM 931 O TYR A 67 -7.577 -3.433 6.857 1.00 0.00 O ATOM 932 CB TYR A 67 -7.539 -4.556 3.768 1.00 0.00 C ATOM 933 CG TYR A 67 -7.813 -5.605 2.715 1.00 0.00 C ATOM 934 CD1 TYR A 67 -8.946 -5.534 1.914 1.00 0.00 C ATOM 935 CD2 TYR A 67 -6.938 -6.667 2.521 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.199 -6.492 0.951 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.185 -7.629 1.560 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.317 -7.537 0.778 1.00 0.00 C ATOM 939 OH TYR A 67 -8.566 -8.492 -0.181 1.00 0.00 O ATOM 0 H TYR A 67 -10.206 -4.066 3.998 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.170 -5.532 5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.651 -3.568 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.503 -4.643 4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.640 -4.717 2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.050 -6.742 3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.084 -6.422 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.495 -8.448 1.422 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.331 -9.376 0.169 1.00 0.00 H new ATOM 949 N PHE A 68 -8.984 -2.343 5.480 1.00 0.00 N ATOM 950 CA PHE A 68 -8.921 -1.093 6.228 1.00 0.00 C ATOM 951 C PHE A 68 -10.142 -0.225 5.943 1.00 0.00 C ATOM 952 O PHE A 68 -11.031 -0.616 5.186 1.00 0.00 O ATOM 953 CB PHE A 68 -7.643 -0.328 5.879 1.00 0.00 C ATOM 954 CG PHE A 68 -7.418 -0.179 4.402 1.00 0.00 C ATOM 955 CD1 PHE A 68 -6.767 -1.170 3.684 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.857 0.951 3.730 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.557 -1.036 2.324 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.650 1.090 2.371 1.00 0.00 C ATOM 959 CZ PHE A 68 -6.999 0.096 1.667 1.00 0.00 C ATOM 0 H PHE A 68 -9.588 -2.313 4.658 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.911 -1.336 7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.686 0.662 6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.789 -0.844 6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.420 -2.057 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.367 1.732 4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.048 -1.815 1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.997 1.976 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.836 0.203 0.605 1.00 0.00 H new ATOM 969 N ILE A 69 -10.178 0.955 6.554 1.00 0.00 N ATOM 970 CA ILE A 69 -11.291 1.879 6.366 1.00 0.00 C ATOM 971 C ILE A 69 -10.789 3.285 6.051 1.00 0.00 C ATOM 972 O ILE A 69 -10.094 3.902 6.859 1.00 0.00 O ATOM 973 CB ILE A 69 -12.190 1.936 7.616 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.548 0.523 8.080 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.449 2.739 7.326 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.566 -0.053 9.076 1.00 0.00 C ATOM 0 H ILE A 69 -9.450 1.294 7.183 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.874 1.506 5.524 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.642 2.432 8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.541 0.537 8.528 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.600 -0.134 7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.074 2.770 8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.175 3.754 7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.001 2.269 6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.883 -1.056 9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.575 -0.100 8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.532 0.582 9.962 1.00 0.00 H new ATOM 988 N CYS A 70 -11.145 3.785 4.872 1.00 0.00 N ATOM 989 CA CYS A 70 -10.730 5.118 4.451 1.00 0.00 C ATOM 990 C CYS A 70 -11.920 5.921 3.929 1.00 0.00 C ATOM 991 O CYS A 70 -12.950 5.353 3.566 1.00 0.00 O ATOM 992 CB CYS A 70 -9.651 5.021 3.370 1.00 0.00 C ATOM 993 SG CYS A 70 -10.213 4.256 1.831 1.00 0.00 S ATOM 0 H CYS A 70 -11.720 3.287 4.192 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.320 5.634 5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.280 6.022 3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.810 4.449 3.762 1.00 0.00 H new ATOM 0 HG CYS A 70 -11.227 4.920 1.362 1.00 0.00 H new ATOM 999 N PRO A 71 -11.791 7.259 3.884 1.00 0.00 N ATOM 1000 CA PRO A 71 -12.862 8.138 3.403 1.00 0.00 C ATOM 1001 C PRO A 71 -13.385 7.719 2.032 1.00 0.00 C ATOM 1002 O PRO A 71 -12.889 6.764 1.434 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.185 9.509 3.320 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.072 9.441 4.307 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.595 8.016 4.297 1.00 0.00 C ATOM 0 HA PRO A 71 -13.733 8.116 4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.812 9.706 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.882 10.310 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.267 10.124 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.414 9.731 5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.769 7.874 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.241 7.704 5.279 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.401 8.432 1.514 1.00 0.00 N ATOM 1014 CA PRO A 72 -14.992 8.128 0.206 1.00 0.00 C ATOM 1015 C PRO A 72 -13.944 8.039 -0.897 1.00 0.00 C ATOM 1016 O PRO A 72 -13.391 9.053 -1.326 1.00 0.00 O ATOM 1017 CB PRO A 72 -15.932 9.311 -0.044 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.272 9.818 1.314 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.052 9.586 2.161 1.00 0.00 C ATOM 0 HA PRO A 72 -15.493 7.160 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.448 10.081 -0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.825 8.999 -0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.529 10.877 1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.136 9.293 1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.400 10.460 2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.317 9.370 3.196 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.673 6.819 -1.352 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.689 6.598 -2.406 1.00 0.00 C ATOM 1029 C LYS A 73 -11.313 7.100 -1.983 1.00 0.00 C ATOM 1030 O LYS A 73 -10.940 8.237 -2.270 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.126 7.299 -3.694 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.002 6.436 -4.589 1.00 0.00 C ATOM 1033 CD LYS A 73 -14.618 7.250 -5.716 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.690 8.198 -5.200 1.00 0.00 C ATOM 1035 NZ LYS A 73 -15.575 9.551 -5.810 1.00 0.00 N ATOM 0 H LYS A 73 -14.121 5.970 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.623 5.525 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.669 8.209 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.240 7.603 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.408 5.624 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.793 5.979 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.839 7.821 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.052 6.578 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.675 7.785 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.610 8.281 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.323 10.167 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.645 9.957 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.676 9.476 -6.842 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.561 6.244 -1.298 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.226 6.601 -0.835 1.00 0.00 C ATOM 1051 C GLN A 74 -8.386 5.354 -0.575 1.00 0.00 C ATOM 1052 O GLN A 74 -7.504 5.354 0.283 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.313 7.445 0.439 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.296 8.573 0.492 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.784 9.760 1.300 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.881 10.269 1.075 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -7.968 10.207 2.248 1.00 0.00 N ATOM 0 H GLN A 74 -10.854 5.299 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.743 7.185 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.315 7.866 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.171 6.798 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.368 8.200 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.066 8.898 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.067 9.754 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.243 11.003 2.824 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.667 4.291 -1.324 1.00 0.00 N ATOM 1067 CA GLY A 75 -7.929 3.053 -1.159 1.00 0.00 C ATOM 1068 C GLY A 75 -7.728 2.320 -2.471 1.00 0.00 C ATOM 1069 O GLY A 75 -8.625 2.283 -3.313 1.00 0.00 O ATOM 0 H GLY A 75 -9.392 4.266 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.958 3.269 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.462 2.406 -0.462 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.547 1.735 -2.646 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.231 1.000 -3.864 1.00 0.00 C ATOM 1075 C LEU A 76 -5.273 -0.151 -3.575 1.00 0.00 C ATOM 1076 O LEU A 76 -4.237 0.036 -2.937 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.621 1.938 -4.908 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.725 1.454 -6.354 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -7.006 1.964 -6.996 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.511 1.903 -7.154 1.00 0.00 C ATOM 0 H LEU A 76 -5.793 1.756 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.159 0.585 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.109 2.909 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.569 2.090 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.752 0.364 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.063 1.610 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.865 1.594 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.009 3.054 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.601 1.550 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.454 2.991 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.607 1.490 -6.706 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.625 -1.341 -4.050 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.796 -2.523 -3.845 1.00 0.00 C ATOM 1094 C PHE A 77 -3.986 -2.844 -5.097 1.00 0.00 C ATOM 1095 O PHE A 77 -4.547 -3.160 -6.147 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.666 -3.722 -3.465 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.529 -3.480 -2.258 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.049 -3.738 -0.985 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.819 -2.994 -2.399 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.841 -3.516 0.127 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.615 -2.770 -1.292 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.125 -3.031 -0.027 1.00 0.00 C ATOM 0 H PHE A 77 -6.479 -1.512 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.103 -2.313 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.303 -3.981 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.023 -4.581 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.045 -4.117 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.207 -2.788 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.456 -3.722 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.619 -2.391 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.745 -2.856 0.840 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.665 -2.759 -4.980 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.779 -3.039 -6.103 1.00 0.00 C ATOM 1114 C ALA A 78 -0.647 -3.974 -5.692 1.00 0.00 C ATOM 1115 O ALA A 78 -0.535 -4.354 -4.526 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.217 -1.744 -6.667 1.00 0.00 C ATOM 0 H ALA A 78 -2.185 -2.498 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.363 -3.537 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.557 -1.968 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.036 -1.111 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.655 -1.223 -5.892 1.00 0.00 H new ATOM 1122 N SER A 79 0.190 -4.342 -6.657 1.00 0.00 N ATOM 1123 CA SER A 79 1.315 -5.232 -6.395 1.00 0.00 C ATOM 1124 C SER A 79 2.514 -4.452 -5.863 1.00 0.00 C ATOM 1125 O SER A 79 2.715 -3.289 -6.213 1.00 0.00 O ATOM 1126 CB SER A 79 1.703 -5.983 -7.671 1.00 0.00 C ATOM 1127 OG SER A 79 1.138 -7.282 -7.689 1.00 0.00 O ATOM 0 H SER A 79 0.110 -4.038 -7.627 1.00 0.00 H new ATOM 0 HA SER A 79 1.009 -5.952 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.365 -5.424 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.789 -6.054 -7.739 1.00 0.00 H new ATOM 0 HG SER A 79 0.755 -7.484 -6.810 1.00 0.00 H new ATOM 1133 N VAL A 80 3.307 -5.101 -5.016 1.00 0.00 N ATOM 1134 CA VAL A 80 4.485 -4.469 -4.437 1.00 0.00 C ATOM 1135 C VAL A 80 5.470 -4.039 -5.520 1.00 0.00 C ATOM 1136 O VAL A 80 6.217 -3.076 -5.347 1.00 0.00 O ATOM 1137 CB VAL A 80 5.202 -5.412 -3.453 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.356 -5.629 -2.208 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.525 -6.738 -4.124 1.00 0.00 C ATOM 0 H VAL A 80 3.154 -6.064 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 80 4.136 -3.588 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 80 6.140 -4.946 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.879 -6.298 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.181 -4.672 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.401 -6.073 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.031 -7.391 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.602 -7.211 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.174 -6.563 -4.982 1.00 0.00 H new ATOM 1149 N SER A 81 5.465 -4.760 -6.637 1.00 0.00 N ATOM 1150 CA SER A 81 6.358 -4.453 -7.749 1.00 0.00 C ATOM 1151 C SER A 81 6.042 -3.082 -8.340 1.00 0.00 C ATOM 1152 O SER A 81 6.923 -2.407 -8.872 1.00 0.00 O ATOM 1153 CB SER A 81 6.245 -5.526 -8.832 1.00 0.00 C ATOM 1154 OG SER A 81 7.325 -5.445 -9.745 1.00 0.00 O ATOM 0 H SER A 81 4.853 -5.560 -6.796 1.00 0.00 H new ATOM 0 HA SER A 81 7.379 -4.437 -7.368 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.229 -6.513 -8.370 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.303 -5.409 -9.367 1.00 0.00 H new ATOM 0 HG SER A 81 7.230 -6.143 -10.427 1.00 0.00 H new ATOM 1160 N LYS A 82 4.780 -2.676 -8.243 1.00 0.00 N ATOM 1161 CA LYS A 82 4.349 -1.386 -8.768 1.00 0.00 C ATOM 1162 C LYS A 82 4.295 -0.335 -7.663 1.00 0.00 C ATOM 1163 O LYS A 82 3.504 0.606 -7.726 1.00 0.00 O ATOM 1164 CB LYS A 82 2.978 -1.515 -9.434 1.00 0.00 C ATOM 1165 CG LYS A 82 3.037 -2.069 -10.848 1.00 0.00 C ATOM 1166 CD LYS A 82 1.662 -2.094 -11.495 1.00 0.00 C ATOM 1167 CE LYS A 82 1.722 -1.655 -12.949 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.236 -0.264 -13.090 1.00 0.00 N ATOM 0 H LYS A 82 4.038 -3.222 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 82 5.078 -1.065 -9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.347 -2.163 -8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.501 -0.535 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.712 -1.461 -11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.449 -3.078 -10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.249 -3.101 -11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.987 -1.439 -10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.363 -2.337 -13.508 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.727 -1.720 -13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.790 0.189 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.010 0.278 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.267 -0.287 -13.223 1.00 0.00 H new ATOM 1182 N ILE A 83 5.139 -0.504 -6.649 1.00 0.00 N ATOM 1183 CA ILE A 83 5.186 0.430 -5.531 1.00 0.00 C ATOM 1184 C ILE A 83 6.592 0.518 -4.948 1.00 0.00 C ATOM 1185 O ILE A 83 7.327 -0.469 -4.926 1.00 0.00 O ATOM 1186 CB ILE A 83 4.205 0.023 -4.414 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.827 -0.288 -5.002 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.106 1.126 -3.369 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.812 -0.721 -3.966 1.00 0.00 C ATOM 0 H ILE A 83 5.799 -1.279 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 83 4.894 1.405 -5.922 1.00 0.00 H new ATOM 0 HB ILE A 83 4.582 -0.877 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.453 0.596 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.929 -1.074 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.410 0.824 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.089 1.302 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.749 2.042 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.859 -0.925 -4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.164 -1.623 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.681 0.073 -3.231 1.00 0.00 H new ATOM 1201 N SER A 84 6.958 1.704 -4.475 1.00 0.00 N ATOM 1202 CA SER A 84 8.276 1.920 -3.891 1.00 0.00 C ATOM 1203 C SER A 84 8.172 2.710 -2.590 1.00 0.00 C ATOM 1204 O SER A 84 7.089 3.150 -2.204 1.00 0.00 O ATOM 1205 CB SER A 84 9.180 2.661 -4.879 1.00 0.00 C ATOM 1206 OG SER A 84 10.538 2.297 -4.699 1.00 0.00 O ATOM 0 H SER A 84 6.360 2.531 -4.485 1.00 0.00 H new ATOM 0 HA SER A 84 8.712 0.946 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.872 2.434 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.067 3.737 -4.744 1.00 0.00 H new ATOM 0 HG SER A 84 11.095 2.782 -5.343 1.00 0.00 H new ATOM 1212 N LYS A 85 9.306 2.888 -1.918 1.00 0.00 N ATOM 1213 CA LYS A 85 9.341 3.626 -0.661 1.00 0.00 C ATOM 1214 C LYS A 85 9.205 5.125 -0.907 1.00 0.00 C ATOM 1215 O LYS A 85 9.881 5.687 -1.770 1.00 0.00 O ATOM 1216 CB LYS A 85 10.643 3.336 0.089 1.00 0.00 C ATOM 1217 CG LYS A 85 10.461 3.194 1.592 1.00 0.00 C ATOM 1218 CD LYS A 85 11.771 3.406 2.336 1.00 0.00 C ATOM 1219 CE LYS A 85 11.770 4.718 3.106 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.066 5.441 2.970 1.00 0.00 N ATOM 0 H LYS A 85 10.212 2.531 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 85 8.499 3.298 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.082 2.419 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.353 4.139 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.723 3.917 1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.069 2.203 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.937 2.578 3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.598 3.400 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.961 5.352 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.573 4.521 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.026 6.330 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.835 4.847 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.242 5.652 1.967 1.00 0.00 H new ATOM 1234 N ALA A 86 8.325 5.768 -0.146 1.00 0.00 N ATOM 1235 CA ALA A 86 8.099 7.202 -0.283 1.00 0.00 C ATOM 1236 C ALA A 86 8.768 7.974 0.849 1.00 0.00 C ATOM 1237 O ALA A 86 9.486 7.399 1.668 1.00 0.00 O ATOM 1238 CB ALA A 86 6.607 7.498 -0.319 1.00 0.00 C ATOM 0 H ALA A 86 7.757 5.318 0.572 1.00 0.00 H new ATOM 0 HA ALA A 86 8.546 7.529 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.452 8.572 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.154 6.983 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.145 7.151 0.605 1.00 0.00 H new