USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 523 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 14 THR OG1 : rot 44:sc= 0.395! USER MOD Set 1.2: A 17 SER OG : rot -89:sc= 0.735 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.000668 USER MOD Single : A 21 SER OG : rot -100:sc= -2.01 USER MOD Single : A 31 TYR OH : rot 130:sc= -0.443 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.876! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -0.113 (180deg=-0.528) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 71:sc= 0.278 USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= -0.16 (180deg=-0.762) USER MOD Single : A 68 TYR OH : rot 80:sc= -0.407 USER MOD Single : A 69 THR OG1 : rot 73:sc= 0.992 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 89 SER OG : rot 180:sc= -0.326 USER MOD Single : A 91 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.86) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -160:sc= -0.606 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.727 2.387 -8.285 1.00 0.00 N ATOM 109 CA LEU A 8 9.152 1.713 -7.031 1.00 0.00 C ATOM 110 C LEU A 8 8.838 0.213 -7.099 1.00 0.00 C ATOM 111 O LEU A 8 8.706 -0.317 -8.181 1.00 0.00 O ATOM 112 CB LEU A 8 8.402 2.367 -5.883 1.00 0.00 C ATOM 113 CG LEU A 8 8.805 3.870 -5.840 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.633 4.728 -6.336 1.00 0.00 C ATOM 115 CD2 LEU A 8 9.193 4.302 -4.405 1.00 0.00 C ATOM 0 HA LEU A 8 10.227 1.815 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.326 2.265 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.648 1.879 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 8 9.671 4.013 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.914 5.781 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.385 4.448 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.766 4.566 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.470 5.356 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.345 4.149 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.038 3.705 -4.061 1.00 0.00 H new ATOM 127 N GLU A 9 8.680 -0.452 -5.950 1.00 0.00 N ATOM 128 CA GLU A 9 8.377 -1.935 -6.025 1.00 0.00 C ATOM 129 C GLU A 9 8.151 -2.575 -4.654 1.00 0.00 C ATOM 130 O GLU A 9 7.921 -1.904 -3.664 1.00 0.00 O ATOM 131 CB GLU A 9 9.597 -2.647 -6.668 1.00 0.00 C ATOM 132 CG GLU A 9 10.809 -2.498 -5.744 1.00 0.00 C ATOM 133 CD GLU A 9 12.089 -2.495 -6.584 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.427 -3.567 -7.060 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.658 -1.422 -6.701 1.00 0.00 O ATOM 0 H GLU A 9 8.745 -0.052 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 9 7.461 -2.046 -6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.375 -3.702 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.813 -2.214 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.733 -1.573 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.835 -3.316 -5.024 1.00 0.00 H new ATOM 142 N VAL A 10 8.213 -3.892 -4.652 1.00 0.00 N ATOM 143 CA VAL A 10 8.016 -4.670 -3.391 1.00 0.00 C ATOM 144 C VAL A 10 9.195 -4.490 -2.437 1.00 0.00 C ATOM 145 O VAL A 10 10.306 -4.248 -2.867 1.00 0.00 O ATOM 146 CB VAL A 10 7.919 -6.159 -3.756 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.255 -6.915 -2.603 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.068 -6.315 -5.016 1.00 0.00 C ATOM 0 H VAL A 10 8.393 -4.460 -5.480 1.00 0.00 H new ATOM 0 HA VAL A 10 7.111 -4.314 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 10 8.916 -6.560 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.183 -7.973 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.852 -6.797 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.256 -6.514 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.997 -7.371 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.069 -5.919 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.530 -5.767 -5.837 1.00 0.00 H new ATOM 158 N VAL A 11 8.928 -4.609 -1.151 1.00 0.00 N ATOM 159 CA VAL A 11 10.023 -4.450 -0.146 1.00 0.00 C ATOM 160 C VAL A 11 10.022 -5.602 0.855 1.00 0.00 C ATOM 161 O VAL A 11 10.923 -5.729 1.661 1.00 0.00 O ATOM 162 CB VAL A 11 9.803 -3.128 0.608 1.00 0.00 C ATOM 163 CG1 VAL A 11 10.687 -3.099 1.858 1.00 0.00 C ATOM 164 CG2 VAL A 11 10.192 -1.968 -0.305 1.00 0.00 C ATOM 0 H VAL A 11 8.006 -4.808 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 11 10.982 -4.448 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 11 8.756 -3.041 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.531 -2.162 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.426 -3.935 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.734 -3.180 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.040 -1.025 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.241 -2.062 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.573 -1.988 -1.202 1.00 0.00 H new ATOM 174 N ALA A 12 9.008 -6.422 0.786 1.00 0.00 N ATOM 175 CA ALA A 12 8.932 -7.573 1.726 1.00 0.00 C ATOM 176 C ALA A 12 7.775 -8.498 1.358 1.00 0.00 C ATOM 177 O ALA A 12 6.835 -8.089 0.704 1.00 0.00 O ATOM 178 CB ALA A 12 8.699 -7.035 3.149 1.00 0.00 C ATOM 0 H ALA A 12 8.236 -6.345 0.124 1.00 0.00 H new ATOM 0 HA ALA A 12 9.864 -8.135 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.641 -7.869 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.525 -6.382 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.766 -6.473 3.177 1.00 0.00 H new ATOM 184 N ALA A 13 7.867 -9.733 1.786 1.00 0.00 N ATOM 185 CA ALA A 13 6.783 -10.700 1.469 1.00 0.00 C ATOM 186 C ALA A 13 6.534 -11.647 2.637 1.00 0.00 C ATOM 187 O ALA A 13 7.394 -11.856 3.468 1.00 0.00 O ATOM 188 CB ALA A 13 7.217 -11.532 0.251 1.00 0.00 C ATOM 0 H ALA A 13 8.640 -10.107 2.336 1.00 0.00 H new ATOM 0 HA ALA A 13 5.866 -10.146 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.434 -12.248 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.388 -10.871 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.137 -12.067 0.485 1.00 0.00 H new ATOM 194 N THR A 14 5.351 -12.202 2.670 1.00 0.00 N ATOM 195 CA THR A 14 5.003 -13.143 3.765 1.00 0.00 C ATOM 196 C THR A 14 4.185 -14.312 3.194 1.00 0.00 C ATOM 197 O THR A 14 3.645 -14.211 2.110 1.00 0.00 O ATOM 198 CB THR A 14 4.151 -12.379 4.793 1.00 0.00 C ATOM 199 OG1 THR A 14 3.796 -11.173 4.153 1.00 0.00 O ATOM 200 CG2 THR A 14 5.000 -11.934 5.998 1.00 0.00 C ATOM 0 H THR A 14 4.613 -12.042 1.984 1.00 0.00 H new ATOM 0 HA THR A 14 5.906 -13.535 4.232 1.00 0.00 H new ATOM 0 HB THR A 14 3.323 -13.007 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.520 -11.361 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.371 -11.397 6.708 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.429 -12.810 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.802 -11.280 5.656 1.00 0.00 H new ATOM 208 N PRO A 15 4.103 -15.411 3.935 1.00 0.00 N ATOM 209 CA PRO A 15 3.349 -16.574 3.477 1.00 0.00 C ATOM 210 C PRO A 15 1.911 -16.209 3.123 1.00 0.00 C ATOM 211 O PRO A 15 1.272 -16.895 2.349 1.00 0.00 O ATOM 212 CB PRO A 15 3.363 -17.553 4.669 1.00 0.00 C ATOM 213 CG PRO A 15 4.206 -16.895 5.802 1.00 0.00 C ATOM 214 CD PRO A 15 4.728 -15.555 5.261 1.00 0.00 C ATOM 0 HA PRO A 15 3.790 -16.998 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.348 -17.754 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.795 -18.510 4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.598 -16.739 6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.034 -17.542 6.091 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.454 -14.730 5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.815 -15.556 5.187 1.00 0.00 H new ATOM 222 N THR A 16 1.426 -15.135 3.694 1.00 0.00 N ATOM 223 CA THR A 16 0.030 -14.719 3.396 1.00 0.00 C ATOM 224 C THR A 16 -0.094 -13.199 3.329 1.00 0.00 C ATOM 225 O THR A 16 -1.065 -12.640 3.799 1.00 0.00 O ATOM 226 CB THR A 16 -0.882 -15.232 4.523 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.450 -14.563 5.691 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.621 -16.719 4.814 1.00 0.00 C ATOM 0 H THR A 16 1.933 -14.537 4.346 1.00 0.00 H new ATOM 0 HA THR A 16 -0.257 -15.134 2.430 1.00 0.00 H new ATOM 0 HB THR A 16 -1.925 -15.076 4.247 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.998 -14.847 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.280 -17.054 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.815 -17.305 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.417 -16.854 5.118 1.00 0.00 H new ATOM 236 N SER A 17 0.887 -12.549 2.744 1.00 0.00 N ATOM 237 CA SER A 17 0.808 -11.064 2.655 1.00 0.00 C ATOM 238 C SER A 17 1.990 -10.475 1.882 1.00 0.00 C ATOM 239 O SER A 17 3.077 -11.021 1.891 1.00 0.00 O ATOM 240 CB SER A 17 0.820 -10.501 4.080 1.00 0.00 C ATOM 241 OG SER A 17 1.970 -9.668 4.117 1.00 0.00 O ATOM 0 H SER A 17 1.718 -12.975 2.335 1.00 0.00 H new ATOM 0 HA SER A 17 -0.105 -10.796 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.088 -9.936 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.881 -11.297 4.822 1.00 0.00 H new ATOM 0 HG SER A 17 2.749 -10.197 4.389 1.00 0.00 H new ATOM 247 N LEU A 18 1.742 -9.357 1.228 1.00 0.00 N ATOM 248 CA LEU A 18 2.821 -8.693 0.441 1.00 0.00 C ATOM 249 C LEU A 18 2.906 -7.208 0.785 1.00 0.00 C ATOM 250 O LEU A 18 1.974 -6.462 0.560 1.00 0.00 O ATOM 251 CB LEU A 18 2.478 -8.832 -1.054 1.00 0.00 C ATOM 252 CG LEU A 18 3.747 -8.640 -1.888 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.472 -9.981 -2.030 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.357 -8.132 -3.279 1.00 0.00 C ATOM 0 H LEU A 18 0.839 -8.883 1.210 1.00 0.00 H new ATOM 0 HA LEU A 18 3.777 -9.162 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.046 -9.814 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.729 -8.092 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 18 4.403 -7.920 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.376 -9.845 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.740 -10.356 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.817 -10.698 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.255 -7.992 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.706 -8.860 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.832 -7.182 -3.185 1.00 0.00 H new ATOM 266 N LEU A 19 4.028 -6.804 1.324 1.00 0.00 N ATOM 267 CA LEU A 19 4.186 -5.372 1.687 1.00 0.00 C ATOM 268 C LEU A 19 4.790 -4.590 0.529 1.00 0.00 C ATOM 269 O LEU A 19 5.976 -4.678 0.274 1.00 0.00 O ATOM 270 CB LEU A 19 5.139 -5.277 2.897 1.00 0.00 C ATOM 271 CG LEU A 19 5.193 -3.820 3.405 1.00 0.00 C ATOM 272 CD1 LEU A 19 5.132 -3.822 4.932 1.00 0.00 C ATOM 273 CD2 LEU A 19 6.505 -3.159 2.962 1.00 0.00 C ATOM 0 H LEU A 19 4.831 -7.400 1.525 1.00 0.00 H new ATOM 0 HA LEU A 19 3.208 -4.953 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.797 -5.938 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.137 -5.610 2.613 1.00 0.00 H new ATOM 0 HG LEU A 19 4.350 -3.265 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.170 -2.796 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.203 -4.290 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.979 -4.381 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.535 -2.131 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.349 -3.714 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.564 -3.162 1.874 1.00 0.00 H new ATOM 285 N ILE A 20 3.961 -3.843 -0.157 1.00 0.00 N ATOM 286 CA ILE A 20 4.473 -3.050 -1.300 1.00 0.00 C ATOM 287 C ILE A 20 4.741 -1.614 -0.879 1.00 0.00 C ATOM 288 O ILE A 20 4.201 -1.147 0.106 1.00 0.00 O ATOM 289 CB ILE A 20 3.431 -3.074 -2.433 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.082 -2.534 -1.953 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.240 -4.535 -2.869 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.489 -1.639 -3.051 1.00 0.00 C ATOM 0 H ILE A 20 2.962 -3.753 0.028 1.00 0.00 H new ATOM 0 HA ILE A 20 5.410 -3.486 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 20 3.784 -2.450 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.404 -3.357 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.209 -1.967 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.505 -4.582 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.190 -4.936 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.889 -5.125 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.527 -1.248 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.168 -0.810 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.350 -2.223 -3.961 1.00 0.00 H new ATOM 304 N SER A 21 5.573 -0.940 -1.623 1.00 0.00 N ATOM 305 CA SER A 21 5.878 0.463 -1.266 1.00 0.00 C ATOM 306 C SER A 21 6.112 1.313 -2.501 1.00 0.00 C ATOM 307 O SER A 21 6.925 0.962 -3.372 1.00 0.00 O ATOM 308 CB SER A 21 7.158 0.476 -0.419 1.00 0.00 C ATOM 309 OG SER A 21 7.756 -0.787 -0.676 1.00 0.00 O ATOM 0 H SER A 21 6.047 -1.299 -2.452 1.00 0.00 H new ATOM 0 HA SER A 21 5.029 0.875 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.817 1.295 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.934 0.603 0.640 1.00 0.00 H new ATOM 0 HG SER A 21 7.557 -1.399 0.063 1.00 0.00 H new ATOM 315 N TRP A 22 5.394 2.424 -2.567 1.00 0.00 N ATOM 316 CA TRP A 22 5.554 3.312 -3.723 1.00 0.00 C ATOM 317 C TRP A 22 5.572 4.791 -3.303 1.00 0.00 C ATOM 318 O TRP A 22 5.951 5.111 -2.195 1.00 0.00 O ATOM 319 CB TRP A 22 4.434 3.036 -4.760 1.00 0.00 C ATOM 320 CG TRP A 22 3.147 3.779 -4.408 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.742 4.884 -5.012 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.271 3.374 -3.523 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.551 5.139 -4.441 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.178 4.222 -3.479 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.311 2.266 -2.703 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.134 3.961 -2.618 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.263 2.005 -1.843 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.176 2.852 -1.800 1.00 0.00 C ATOM 0 H TRP A 22 4.718 2.730 -1.867 1.00 0.00 H new ATOM 0 HA TRP A 22 6.518 3.102 -4.185 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.771 3.341 -5.751 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.236 1.965 -4.806 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.248 5.448 -5.782 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.974 5.940 -4.697 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.162 1.602 -2.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.717 4.625 -2.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.295 1.136 -1.203 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.642 2.647 -1.126 1.00 0.00 H new ATOM 415 N VAL A 29 -4.967 14.199 -3.150 1.00 0.00 N ATOM 416 CA VAL A 29 -5.139 13.058 -4.075 1.00 0.00 C ATOM 417 C VAL A 29 -6.438 12.325 -3.804 1.00 0.00 C ATOM 418 O VAL A 29 -6.713 11.938 -2.685 1.00 0.00 O ATOM 419 CB VAL A 29 -3.980 12.083 -3.847 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.665 11.366 -5.159 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.749 12.863 -3.384 1.00 0.00 C ATOM 0 HA VAL A 29 -5.156 13.432 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.255 11.352 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.841 10.670 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.545 10.817 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.384 12.099 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.921 12.173 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.470 13.589 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.977 13.383 -2.454 1.00 0.00 H new ATOM 431 N ARG A 30 -7.220 12.144 -4.828 1.00 0.00 N ATOM 432 CA ARG A 30 -8.499 11.435 -4.634 1.00 0.00 C ATOM 433 C ARG A 30 -8.229 10.014 -4.174 1.00 0.00 C ATOM 434 O ARG A 30 -8.660 9.610 -3.110 1.00 0.00 O ATOM 435 CB ARG A 30 -9.246 11.402 -5.977 1.00 0.00 C ATOM 436 CG ARG A 30 -10.715 11.764 -5.747 1.00 0.00 C ATOM 437 CD ARG A 30 -11.428 11.873 -7.096 1.00 0.00 C ATOM 438 NE ARG A 30 -12.846 11.436 -6.933 1.00 0.00 N ATOM 439 CZ ARG A 30 -13.532 11.851 -5.899 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.587 13.133 -5.651 1.00 0.00 N ATOM 441 NH2 ARG A 30 -14.139 10.972 -5.148 1.00 0.00 N ATOM 0 H ARG A 30 -7.027 12.455 -5.780 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.098 11.947 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.792 12.104 -6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.169 10.411 -6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.196 11.005 -5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.788 12.708 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.390 12.900 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.926 11.253 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.277 10.819 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.100 13.791 -6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.117 13.475 -4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.074 9.979 -5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.678 11.279 -4.338 1.00 0.00 H new ATOM 455 N TYR A 31 -7.517 9.274 -4.981 1.00 0.00 N ATOM 456 CA TYR A 31 -7.212 7.873 -4.595 1.00 0.00 C ATOM 457 C TYR A 31 -6.247 7.206 -5.574 1.00 0.00 C ATOM 458 O TYR A 31 -5.964 7.724 -6.642 1.00 0.00 O ATOM 459 CB TYR A 31 -8.522 7.068 -4.574 1.00 0.00 C ATOM 460 CG TYR A 31 -9.527 7.675 -5.557 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.201 7.834 -6.889 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.786 8.051 -5.128 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.116 8.359 -7.775 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.701 8.574 -6.017 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.373 8.731 -7.347 1.00 0.00 C ATOM 466 OH TYR A 31 -12.289 9.254 -8.236 1.00 0.00 O ATOM 0 H TYR A 31 -7.139 9.577 -5.879 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.740 7.891 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.324 6.029 -4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.941 7.066 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.221 7.545 -7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.055 7.934 -4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.847 8.480 -8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.682 8.863 -5.669 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.141 8.779 -8.145 1.00 0.00 H new ATOM 476 N TYR A 32 -5.758 6.064 -5.169 1.00 0.00 N ATOM 477 CA TYR A 32 -4.809 5.299 -6.017 1.00 0.00 C ATOM 478 C TYR A 32 -5.436 3.956 -6.369 1.00 0.00 C ATOM 479 O TYR A 32 -6.055 3.344 -5.529 1.00 0.00 O ATOM 480 CB TYR A 32 -3.538 5.034 -5.192 1.00 0.00 C ATOM 481 CG TYR A 32 -2.383 5.920 -5.674 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.439 7.292 -5.530 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.238 5.350 -6.202 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.364 8.079 -5.902 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.167 6.140 -6.571 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.224 7.510 -6.423 1.00 0.00 C ATOM 487 OH TYR A 32 0.856 8.297 -6.757 1.00 0.00 O ATOM 0 H TYR A 32 -5.981 5.627 -4.275 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.577 5.857 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.736 5.228 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.257 3.984 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.327 7.753 -5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.181 4.279 -6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.420 9.151 -5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.722 5.681 -6.979 1.00 0.00 H new ATOM 0 HH TYR A 32 1.576 7.733 -7.109 1.00 0.00 H new ATOM 497 N ARG A 33 -5.266 3.515 -7.595 1.00 0.00 N ATOM 498 CA ARG A 33 -5.864 2.198 -7.992 1.00 0.00 C ATOM 499 C ARG A 33 -4.774 1.159 -8.169 1.00 0.00 C ATOM 500 O ARG A 33 -4.010 1.215 -9.109 1.00 0.00 O ATOM 501 CB ARG A 33 -6.620 2.353 -9.336 1.00 0.00 C ATOM 502 CG ARG A 33 -7.132 3.799 -9.509 1.00 0.00 C ATOM 503 CD ARG A 33 -8.174 4.103 -8.425 1.00 0.00 C ATOM 504 NE ARG A 33 -9.464 4.467 -9.080 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.578 4.369 -8.404 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.857 3.245 -7.801 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.376 5.401 -8.351 1.00 0.00 N ATOM 0 H ARG A 33 -4.748 4.001 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.551 1.879 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.959 2.094 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.459 1.658 -9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.302 4.502 -9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.572 3.925 -10.498 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.311 3.235 -7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.830 4.920 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.476 4.790 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.209 2.459 -7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.723 3.153 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.125 6.265 -8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.250 5.344 -7.828 1.00 0.00 H new ATOM 521 N ILE A 34 -4.732 0.217 -7.256 1.00 0.00 N ATOM 522 CA ILE A 34 -3.700 -0.848 -7.336 1.00 0.00 C ATOM 523 C ILE A 34 -4.302 -2.173 -7.804 1.00 0.00 C ATOM 524 O ILE A 34 -4.891 -2.902 -7.028 1.00 0.00 O ATOM 525 CB ILE A 34 -3.110 -1.025 -5.936 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.536 0.306 -5.461 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.967 -2.064 -5.996 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.527 0.970 -4.504 1.00 0.00 C ATOM 0 H ILE A 34 -5.370 0.146 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.935 -0.559 -8.057 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.888 -1.362 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.581 0.146 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.344 0.957 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.542 -2.195 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.360 -3.017 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.192 -1.714 -6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.121 1.922 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.471 1.143 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.697 0.319 -3.646 1.00 0.00 H new ATOM 540 N THR A 35 -4.136 -2.453 -9.070 1.00 0.00 N ATOM 541 CA THR A 35 -4.680 -3.719 -9.633 1.00 0.00 C ATOM 542 C THR A 35 -3.555 -4.723 -9.832 1.00 0.00 C ATOM 543 O THR A 35 -2.468 -4.354 -10.228 1.00 0.00 O ATOM 544 CB THR A 35 -5.300 -3.408 -11.000 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.251 -3.581 -11.933 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.671 -1.921 -11.108 1.00 0.00 C ATOM 0 H THR A 35 -3.646 -1.857 -9.738 1.00 0.00 H new ATOM 0 HA THR A 35 -5.422 -4.135 -8.951 1.00 0.00 H new ATOM 0 HB THR A 35 -6.179 -4.033 -11.157 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.583 -3.397 -12.836 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.109 -1.725 -12.087 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.392 -1.669 -10.331 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.775 -1.313 -10.983 1.00 0.00 H new ATOM 554 N TYR A 36 -3.824 -5.980 -9.557 1.00 0.00 N ATOM 555 CA TYR A 36 -2.762 -6.991 -9.735 1.00 0.00 C ATOM 556 C TYR A 36 -3.335 -8.296 -10.241 1.00 0.00 C ATOM 557 O TYR A 36 -4.531 -8.522 -10.180 1.00 0.00 O ATOM 558 CB TYR A 36 -2.078 -7.231 -8.378 1.00 0.00 C ATOM 559 CG TYR A 36 -3.137 -7.470 -7.296 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.922 -6.430 -6.831 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.306 -8.726 -6.752 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.855 -6.649 -5.841 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.239 -8.941 -5.761 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.019 -7.904 -5.298 1.00 0.00 C ATOM 565 OH TYR A 36 -5.938 -8.114 -4.293 1.00 0.00 O ATOM 0 H TYR A 36 -4.721 -6.333 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.044 -6.624 -10.469 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.412 -8.091 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.463 -6.371 -8.114 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.803 -5.440 -7.247 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.702 -9.548 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.463 -5.829 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.360 -9.930 -5.344 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.923 -9.057 -4.028 1.00 0.00 H new ATOM 575 N GLY A 37 -2.467 -9.129 -10.747 1.00 0.00 N ATOM 576 CA GLY A 37 -2.921 -10.443 -11.273 1.00 0.00 C ATOM 577 C GLY A 37 -1.830 -11.051 -12.154 1.00 0.00 C ATOM 578 O GLY A 37 -1.071 -10.341 -12.782 1.00 0.00 O ATOM 0 H GLY A 37 -1.464 -8.955 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.152 -11.116 -10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.838 -10.318 -11.848 1.00 0.00 H new ATOM 582 N GLU A 38 -1.770 -12.353 -12.186 1.00 0.00 N ATOM 583 CA GLU A 38 -0.739 -13.004 -13.017 1.00 0.00 C ATOM 584 C GLU A 38 -0.834 -12.525 -14.461 1.00 0.00 C ATOM 585 O GLU A 38 -1.910 -12.272 -14.964 1.00 0.00 O ATOM 586 CB GLU A 38 -0.970 -14.524 -12.978 1.00 0.00 C ATOM 587 CG GLU A 38 -2.403 -14.816 -12.519 1.00 0.00 C ATOM 588 CD GLU A 38 -2.752 -16.268 -12.851 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.668 -16.588 -14.026 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.084 -16.974 -11.915 1.00 0.00 O ATOM 0 H GLU A 38 -2.388 -12.984 -11.675 1.00 0.00 H new ATOM 0 HA GLU A 38 0.248 -12.752 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.799 -14.953 -13.965 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.258 -14.993 -12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.496 -14.643 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.101 -14.140 -13.013 1.00 0.00 H new ATOM 597 N THR A 39 0.296 -12.408 -15.101 1.00 0.00 N ATOM 598 CA THR A 39 0.291 -11.947 -16.512 1.00 0.00 C ATOM 599 C THR A 39 -0.179 -13.052 -17.449 1.00 0.00 C ATOM 600 O THR A 39 0.037 -14.221 -17.194 1.00 0.00 O ATOM 601 CB THR A 39 1.722 -11.558 -16.893 1.00 0.00 C ATOM 602 OG1 THR A 39 1.598 -10.800 -18.080 1.00 0.00 O ATOM 603 CG2 THR A 39 2.533 -12.795 -17.308 1.00 0.00 C ATOM 0 H THR A 39 1.216 -12.611 -14.709 1.00 0.00 H new ATOM 0 HA THR A 39 -0.390 -11.101 -16.606 1.00 0.00 H new ATOM 0 HB THR A 39 2.202 -11.050 -16.057 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.486 -10.515 -18.380 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.546 -12.493 -17.574 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.571 -13.501 -16.478 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.058 -13.270 -18.167 1.00 0.00 H new ATOM 664 N VAL A 45 -6.496 -11.307 -10.991 1.00 0.00 N ATOM 665 CA VAL A 45 -6.893 -11.459 -9.573 1.00 0.00 C ATOM 666 C VAL A 45 -7.929 -10.428 -9.175 1.00 0.00 C ATOM 667 O VAL A 45 -9.112 -10.704 -9.171 1.00 0.00 O ATOM 668 CB VAL A 45 -5.651 -11.282 -8.695 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.083 -11.182 -7.234 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.739 -12.494 -8.869 1.00 0.00 C ATOM 0 HA VAL A 45 -7.329 -12.449 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.118 -10.376 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.204 -11.056 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.746 -10.326 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.608 -12.093 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.852 -12.375 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.273 -13.397 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.440 -12.577 -9.914 1.00 0.00 H new ATOM 680 N GLN A 46 -7.474 -9.258 -8.842 1.00 0.00 N ATOM 681 CA GLN A 46 -8.438 -8.202 -8.439 1.00 0.00 C ATOM 682 C GLN A 46 -7.755 -6.850 -8.284 1.00 0.00 C ATOM 683 O GLN A 46 -6.673 -6.632 -8.792 1.00 0.00 O ATOM 684 CB GLN A 46 -9.053 -8.599 -7.086 1.00 0.00 C ATOM 685 CG GLN A 46 -10.563 -8.366 -7.134 1.00 0.00 C ATOM 686 CD GLN A 46 -11.131 -8.453 -5.718 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.478 -9.515 -5.238 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.243 -7.361 -5.013 1.00 0.00 N ATOM 0 H GLN A 46 -6.490 -8.988 -8.831 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.199 -8.114 -9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.841 -9.646 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.607 -8.011 -6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.778 -7.389 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.037 -9.109 -7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.954 -6.466 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.620 -7.402 -4.066 1.00 0.00 H new ATOM 697 N GLU A 47 -8.407 -5.964 -7.576 1.00 0.00 N ATOM 698 CA GLU A 47 -7.821 -4.618 -7.370 1.00 0.00 C ATOM 699 C GLU A 47 -8.517 -3.885 -6.225 1.00 0.00 C ATOM 700 O GLU A 47 -9.632 -4.206 -5.868 1.00 0.00 O ATOM 701 CB GLU A 47 -8.005 -3.808 -8.678 1.00 0.00 C ATOM 702 CG GLU A 47 -9.489 -3.413 -8.864 1.00 0.00 C ATOM 703 CD GLU A 47 -10.378 -4.653 -8.747 1.00 0.00 C ATOM 704 OE1 GLU A 47 -10.389 -5.405 -9.708 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.998 -4.780 -7.704 1.00 0.00 O ATOM 0 H GLU A 47 -9.314 -6.118 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.766 -4.721 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.385 -2.912 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.670 -4.400 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.775 -2.678 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.630 -2.945 -9.838 1.00 0.00 H new ATOM 712 N PHE A 48 -7.843 -2.913 -5.666 1.00 0.00 N ATOM 713 CA PHE A 48 -8.456 -2.156 -4.545 1.00 0.00 C ATOM 714 C PHE A 48 -7.961 -0.716 -4.535 1.00 0.00 C ATOM 715 O PHE A 48 -6.810 -0.451 -4.826 1.00 0.00 O ATOM 716 CB PHE A 48 -8.081 -2.838 -3.215 1.00 0.00 C ATOM 717 CG PHE A 48 -6.617 -2.548 -2.867 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.592 -3.162 -3.565 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.301 -1.693 -1.826 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.275 -2.926 -3.225 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.982 -1.461 -1.490 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.973 -2.076 -2.188 1.00 0.00 C ATOM 0 H PHE A 48 -6.905 -2.616 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.539 -2.149 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.730 -2.478 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.238 -3.914 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.824 -3.830 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.090 -1.205 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.481 -3.410 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.744 -0.793 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.942 -1.892 -1.923 1.00 0.00 H new ATOM 732 N THR A 49 -8.839 0.193 -4.200 1.00 0.00 N ATOM 733 CA THR A 49 -8.432 1.617 -4.169 1.00 0.00 C ATOM 734 C THR A 49 -7.957 2.029 -2.785 1.00 0.00 C ATOM 735 O THR A 49 -8.164 1.327 -1.816 1.00 0.00 O ATOM 736 CB THR A 49 -9.639 2.479 -4.545 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.422 3.722 -3.908 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.920 1.936 -3.902 1.00 0.00 C ATOM 0 H THR A 49 -9.810 0.008 -3.950 1.00 0.00 H new ATOM 0 HA THR A 49 -7.611 1.756 -4.873 1.00 0.00 H new ATOM 0 HB THR A 49 -9.743 2.516 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.165 4.328 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.764 2.566 -4.184 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.096 0.917 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.812 1.939 -2.817 1.00 0.00 H new ATOM 746 N VAL A 50 -7.326 3.167 -2.722 1.00 0.00 N ATOM 747 CA VAL A 50 -6.826 3.656 -1.419 1.00 0.00 C ATOM 748 C VAL A 50 -6.868 5.215 -1.427 1.00 0.00 C ATOM 749 O VAL A 50 -6.703 5.819 -2.467 1.00 0.00 O ATOM 750 CB VAL A 50 -5.349 3.122 -1.262 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.359 4.279 -1.075 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.233 2.157 -0.057 1.00 0.00 C ATOM 0 H VAL A 50 -7.137 3.776 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.432 3.305 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.102 2.585 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.350 3.881 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.401 4.937 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.622 4.842 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.205 1.804 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.514 2.681 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.898 1.306 -0.207 1.00 0.00 H new ATOM 762 N PRO A 51 -7.090 5.840 -0.263 1.00 0.00 N ATOM 763 CA PRO A 51 -7.150 7.309 -0.177 1.00 0.00 C ATOM 764 C PRO A 51 -5.949 7.997 -0.845 1.00 0.00 C ATOM 765 O PRO A 51 -5.892 9.207 -0.922 1.00 0.00 O ATOM 766 CB PRO A 51 -7.161 7.613 1.335 1.00 0.00 C ATOM 767 CG PRO A 51 -7.251 6.250 2.086 1.00 0.00 C ATOM 768 CD PRO A 51 -7.268 5.143 1.021 1.00 0.00 C ATOM 0 HA PRO A 51 -8.027 7.688 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.259 8.151 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.008 8.249 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.402 6.124 2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.151 6.208 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.470 4.421 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.207 4.591 1.042 1.00 0.00 H new ATOM 776 N GLY A 52 -5.020 7.216 -1.310 1.00 0.00 N ATOM 777 CA GLY A 52 -3.818 7.810 -1.976 1.00 0.00 C ATOM 778 C GLY A 52 -2.904 8.509 -0.962 1.00 0.00 C ATOM 779 O GLY A 52 -1.867 9.032 -1.322 1.00 0.00 O ATOM 0 H GLY A 52 -5.034 6.197 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.261 7.027 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.137 8.525 -2.734 1.00 0.00 H new ATOM 783 N SER A 53 -3.297 8.502 0.279 1.00 0.00 N ATOM 784 CA SER A 53 -2.455 9.163 1.309 1.00 0.00 C ATOM 785 C SER A 53 -1.388 8.209 1.833 1.00 0.00 C ATOM 786 O SER A 53 -0.313 8.626 2.221 1.00 0.00 O ATOM 787 CB SER A 53 -3.360 9.580 2.477 1.00 0.00 C ATOM 788 OG SER A 53 -3.173 10.984 2.579 1.00 0.00 O ATOM 0 H SER A 53 -4.156 8.072 0.622 1.00 0.00 H new ATOM 0 HA SER A 53 -1.962 10.027 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.403 9.330 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.078 9.073 3.400 1.00 0.00 H new ATOM 0 HG SER A 53 -3.724 11.335 3.310 1.00 0.00 H new ATOM 794 N LYS A 54 -1.702 6.944 1.833 1.00 0.00 N ATOM 795 CA LYS A 54 -0.718 5.949 2.328 1.00 0.00 C ATOM 796 C LYS A 54 0.359 5.677 1.285 1.00 0.00 C ATOM 797 O LYS A 54 0.064 5.402 0.139 1.00 0.00 O ATOM 798 CB LYS A 54 -1.462 4.637 2.623 1.00 0.00 C ATOM 799 CG LYS A 54 -1.107 4.163 4.035 1.00 0.00 C ATOM 800 CD LYS A 54 -1.793 5.071 5.055 1.00 0.00 C ATOM 801 CE LYS A 54 -2.948 4.308 5.706 1.00 0.00 C ATOM 802 NZ LYS A 54 -2.430 3.172 6.520 1.00 0.00 N ATOM 0 H LYS A 54 -2.591 6.560 1.514 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.240 6.342 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.538 4.788 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.187 3.877 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.426 3.130 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.027 4.185 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.079 5.391 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.165 5.972 4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.526 4.982 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.624 3.934 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.059 3.012 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.396 2.313 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.474 3.397 6.861 1.00 0.00 H new ATOM 816 N SER A 55 1.593 5.758 1.704 1.00 0.00 N ATOM 817 CA SER A 55 2.704 5.507 0.752 1.00 0.00 C ATOM 818 C SER A 55 3.050 4.025 0.712 1.00 0.00 C ATOM 819 O SER A 55 3.715 3.563 -0.193 1.00 0.00 O ATOM 820 CB SER A 55 3.937 6.292 1.227 1.00 0.00 C ATOM 821 OG SER A 55 4.320 7.057 0.094 1.00 0.00 O ATOM 0 H SER A 55 1.875 5.986 2.657 1.00 0.00 H new ATOM 0 HA SER A 55 2.400 5.824 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.699 6.931 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.737 5.623 1.545 1.00 0.00 H new ATOM 0 HG SER A 55 5.109 7.595 0.314 1.00 0.00 H new ATOM 827 N THR A 56 2.585 3.313 1.701 1.00 0.00 N ATOM 828 CA THR A 56 2.860 1.852 1.766 1.00 0.00 C ATOM 829 C THR A 56 1.581 1.093 2.108 1.00 0.00 C ATOM 830 O THR A 56 0.694 1.633 2.739 1.00 0.00 O ATOM 831 CB THR A 56 3.897 1.603 2.872 1.00 0.00 C ATOM 832 OG1 THR A 56 3.376 2.236 4.023 1.00 0.00 O ATOM 833 CG2 THR A 56 5.206 2.355 2.578 1.00 0.00 C ATOM 0 H THR A 56 2.025 3.682 2.469 1.00 0.00 H new ATOM 0 HA THR A 56 3.233 1.507 0.802 1.00 0.00 H new ATOM 0 HB THR A 56 4.084 0.533 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.995 2.112 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.923 2.162 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.618 2.012 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.006 3.425 2.521 1.00 0.00 H new ATOM 841 N ALA A 57 1.497 -0.142 1.686 1.00 0.00 N ATOM 842 CA ALA A 57 0.268 -0.922 1.994 1.00 0.00 C ATOM 843 C ALA A 57 0.541 -2.421 1.998 1.00 0.00 C ATOM 844 O ALA A 57 1.551 -2.874 1.494 1.00 0.00 O ATOM 845 CB ALA A 57 -0.780 -0.617 0.913 1.00 0.00 C ATOM 0 H ALA A 57 2.213 -0.634 1.152 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.085 -0.637 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.690 -1.179 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.004 0.450 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.390 -0.904 -0.063 1.00 0.00 H new ATOM 851 N THR A 58 -0.381 -3.161 2.573 1.00 0.00 N ATOM 852 CA THR A 58 -0.225 -4.640 2.640 1.00 0.00 C ATOM 853 C THR A 58 -1.353 -5.330 1.877 1.00 0.00 C ATOM 854 O THR A 58 -2.498 -5.278 2.281 1.00 0.00 O ATOM 855 CB THR A 58 -0.291 -5.059 4.114 1.00 0.00 C ATOM 856 OG1 THR A 58 0.876 -4.525 4.705 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.137 -6.580 4.261 1.00 0.00 C ATOM 0 H THR A 58 -1.234 -2.797 2.998 1.00 0.00 H new ATOM 0 HA THR A 58 0.727 -4.928 2.193 1.00 0.00 H new ATOM 0 HB THR A 58 -1.234 -4.729 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.896 -4.757 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.187 -6.851 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.939 -7.081 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.825 -6.889 3.853 1.00 0.00 H new ATOM 865 N ILE A 59 -0.998 -5.968 0.789 1.00 0.00 N ATOM 866 CA ILE A 59 -2.016 -6.673 -0.031 1.00 0.00 C ATOM 867 C ILE A 59 -1.855 -8.182 0.078 1.00 0.00 C ATOM 868 O ILE A 59 -0.756 -8.696 0.045 1.00 0.00 O ATOM 869 CB ILE A 59 -1.815 -6.226 -1.503 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.842 -7.431 -2.473 1.00 0.00 C ATOM 871 CG2 ILE A 59 -0.436 -5.536 -1.619 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.795 -6.926 -3.926 1.00 0.00 C ATOM 0 H ILE A 59 -0.042 -6.028 0.437 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.017 -6.424 0.322 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.626 -5.550 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.994 -8.087 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.744 -8.021 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.276 -5.214 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.406 -4.669 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.347 -6.238 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.814 -7.776 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.658 -6.288 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.880 -6.355 -4.083 1.00 0.00 H new ATOM 884 N SER A 60 -2.963 -8.864 0.197 1.00 0.00 N ATOM 885 CA SER A 60 -2.904 -10.337 0.309 1.00 0.00 C ATOM 886 C SER A 60 -3.126 -10.983 -1.055 1.00 0.00 C ATOM 887 O SER A 60 -2.901 -10.370 -2.080 1.00 0.00 O ATOM 888 CB SER A 60 -4.014 -10.798 1.262 1.00 0.00 C ATOM 889 OG SER A 60 -3.551 -12.046 1.750 1.00 0.00 O ATOM 0 H SER A 60 -3.899 -8.460 0.221 1.00 0.00 H new ATOM 0 HA SER A 60 -1.924 -10.631 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.167 -10.085 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.968 -10.901 0.744 1.00 0.00 H new ATOM 0 HG SER A 60 -2.797 -11.900 2.359 1.00 0.00 H new ATOM 895 N GLY A 61 -3.564 -12.210 -1.042 1.00 0.00 N ATOM 896 CA GLY A 61 -3.806 -12.910 -2.335 1.00 0.00 C ATOM 897 C GLY A 61 -2.492 -13.060 -3.102 1.00 0.00 C ATOM 898 O GLY A 61 -2.179 -12.257 -3.959 1.00 0.00 O ATOM 0 H GLY A 61 -3.763 -12.754 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.243 -13.891 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.524 -12.349 -2.933 1.00 0.00 H new ATOM 902 N LEU A 62 -1.753 -14.093 -2.771 1.00 0.00 N ATOM 903 CA LEU A 62 -0.451 -14.330 -3.458 1.00 0.00 C ATOM 904 C LEU A 62 -0.441 -15.670 -4.175 1.00 0.00 C ATOM 905 O LEU A 62 -1.429 -16.369 -4.214 1.00 0.00 O ATOM 906 CB LEU A 62 0.663 -14.364 -2.392 1.00 0.00 C ATOM 907 CG LEU A 62 0.937 -12.953 -1.853 1.00 0.00 C ATOM 908 CD1 LEU A 62 0.112 -12.726 -0.587 1.00 0.00 C ATOM 909 CD2 LEU A 62 2.423 -12.838 -1.508 1.00 0.00 C ATOM 0 H LEU A 62 -1.998 -14.778 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.297 -13.533 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.371 -15.022 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.574 -14.778 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 62 0.667 -12.210 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.305 -11.725 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.948 -12.827 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.390 -13.464 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.631 -11.839 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.679 -13.579 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.019 -13.014 -2.404 1.00 0.00 H new ATOM 921 N LYS A 63 0.697 -15.991 -4.722 1.00 0.00 N ATOM 922 CA LYS A 63 0.855 -17.271 -5.453 1.00 0.00 C ATOM 923 C LYS A 63 2.356 -17.456 -5.815 1.00 0.00 C ATOM 924 O LYS A 63 2.783 -17.099 -6.895 1.00 0.00 O ATOM 925 CB LYS A 63 0.015 -17.202 -6.759 1.00 0.00 C ATOM 926 CG LYS A 63 -1.131 -18.221 -6.679 1.00 0.00 C ATOM 927 CD LYS A 63 -1.961 -18.153 -7.964 1.00 0.00 C ATOM 928 CE LYS A 63 -2.248 -19.578 -8.452 1.00 0.00 C ATOM 929 NZ LYS A 63 -0.979 -20.272 -8.812 1.00 0.00 N ATOM 0 H LYS A 63 1.535 -15.410 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 63 0.518 -18.106 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.385 -16.197 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.646 -17.414 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.730 -19.226 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.761 -18.010 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.896 -17.623 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.423 -17.594 -8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.767 -20.137 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.910 -19.546 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.149 -20.913 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.262 -19.568 -9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.639 -20.820 -7.996 1.00 0.00 H new ATOM 943 N PRO A 64 3.149 -18.006 -4.887 1.00 0.00 N ATOM 944 CA PRO A 64 4.573 -18.209 -5.145 1.00 0.00 C ATOM 945 C PRO A 64 4.811 -19.027 -6.406 1.00 0.00 C ATOM 946 O PRO A 64 4.186 -20.047 -6.621 1.00 0.00 O ATOM 947 CB PRO A 64 5.102 -18.961 -3.906 1.00 0.00 C ATOM 948 CG PRO A 64 3.953 -18.971 -2.852 1.00 0.00 C ATOM 949 CD PRO A 64 2.685 -18.471 -3.564 1.00 0.00 C ATOM 0 HA PRO A 64 5.082 -17.259 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.394 -19.978 -4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.988 -18.469 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.802 -19.975 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.199 -18.328 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.947 -19.267 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.211 -17.664 -3.006 1.00 0.00 H new ATOM 957 N GLY A 65 5.717 -18.553 -7.222 1.00 0.00 N ATOM 958 CA GLY A 65 6.024 -19.277 -8.481 1.00 0.00 C ATOM 959 C GLY A 65 5.221 -18.689 -9.644 1.00 0.00 C ATOM 960 O GLY A 65 4.701 -19.414 -10.469 1.00 0.00 O ATOM 0 H GLY A 65 6.253 -17.699 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.090 -19.209 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.788 -20.335 -8.366 1.00 0.00 H new ATOM 964 N VAL A 66 5.129 -17.381 -9.688 1.00 0.00 N ATOM 965 CA VAL A 66 4.361 -16.758 -10.795 1.00 0.00 C ATOM 966 C VAL A 66 4.744 -15.292 -10.993 1.00 0.00 C ATOM 967 O VAL A 66 5.203 -14.629 -10.081 1.00 0.00 O ATOM 968 CB VAL A 66 2.863 -16.831 -10.443 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.487 -15.641 -9.556 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.037 -16.775 -11.733 1.00 0.00 C ATOM 0 H VAL A 66 5.545 -16.735 -9.017 1.00 0.00 H new ATOM 0 HA VAL A 66 4.584 -17.295 -11.717 1.00 0.00 H new ATOM 0 HB VAL A 66 2.660 -17.761 -9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.427 -15.693 -9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.077 -15.670 -8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.689 -14.712 -10.089 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.976 -16.826 -11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.244 -15.842 -12.257 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.303 -17.617 -12.372 1.00 0.00 H new ATOM 980 N ASP A 67 4.546 -14.823 -12.194 1.00 0.00 N ATOM 981 CA ASP A 67 4.875 -13.420 -12.504 1.00 0.00 C ATOM 982 C ASP A 67 3.684 -12.539 -12.181 1.00 0.00 C ATOM 983 O ASP A 67 2.702 -12.529 -12.896 1.00 0.00 O ATOM 984 CB ASP A 67 5.194 -13.311 -14.005 1.00 0.00 C ATOM 985 CG ASP A 67 6.628 -12.802 -14.181 1.00 0.00 C ATOM 986 OD1 ASP A 67 7.519 -13.597 -13.931 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.750 -11.646 -14.554 1.00 0.00 O ATOM 0 H ASP A 67 4.168 -15.362 -12.973 1.00 0.00 H new ATOM 0 HA ASP A 67 5.733 -13.099 -11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.079 -14.283 -14.485 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.493 -12.632 -14.489 1.00 0.00 H new ATOM 992 N TYR A 68 3.790 -11.812 -11.110 1.00 0.00 N ATOM 993 CA TYR A 68 2.676 -10.931 -10.721 1.00 0.00 C ATOM 994 C TYR A 68 2.806 -9.560 -11.358 1.00 0.00 C ATOM 995 O TYR A 68 3.765 -8.849 -11.121 1.00 0.00 O ATOM 996 CB TYR A 68 2.724 -10.758 -9.199 1.00 0.00 C ATOM 997 CG TYR A 68 1.656 -11.635 -8.541 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.351 -11.196 -8.441 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.986 -12.870 -8.022 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.607 -11.982 -7.832 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.029 -13.654 -7.415 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.276 -13.218 -7.314 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.233 -14.003 -6.704 1.00 0.00 O ATOM 0 H TYR A 68 4.601 -11.793 -10.491 1.00 0.00 H new ATOM 0 HA TYR A 68 1.739 -11.379 -11.052 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.711 -11.029 -8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.560 -9.713 -8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.078 -10.231 -8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.003 -13.225 -8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.624 -11.627 -7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.303 -14.619 -7.015 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.764 -14.463 -7.388 1.00 0.00 H new ATOM 1013 N THR A 69 1.839 -9.218 -12.163 1.00 0.00 N ATOM 1014 CA THR A 69 1.872 -7.897 -12.832 1.00 0.00 C ATOM 1015 C THR A 69 0.981 -6.928 -12.076 1.00 0.00 C ATOM 1016 O THR A 69 -0.151 -7.250 -11.763 1.00 0.00 O ATOM 1017 CB THR A 69 1.329 -8.056 -14.256 1.00 0.00 C ATOM 1018 OG1 THR A 69 0.922 -9.404 -14.350 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.456 -7.917 -15.293 1.00 0.00 C ATOM 0 H THR A 69 1.030 -9.799 -12.384 1.00 0.00 H new ATOM 0 HA THR A 69 2.894 -7.518 -12.854 1.00 0.00 H new ATOM 0 HB THR A 69 0.551 -7.315 -14.439 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.098 -9.533 -13.836 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.044 -8.034 -16.296 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.915 -6.933 -15.202 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.208 -8.686 -15.118 1.00 0.00 H new ATOM 1027 N ILE A 70 1.505 -5.759 -11.786 1.00 0.00 N ATOM 1028 CA ILE A 70 0.691 -4.755 -11.042 1.00 0.00 C ATOM 1029 C ILE A 70 0.724 -3.401 -11.732 1.00 0.00 C ATOM 1030 O ILE A 70 1.656 -3.086 -12.445 1.00 0.00 O ATOM 1031 CB ILE A 70 1.271 -4.624 -9.619 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.553 -3.778 -9.626 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.632 -6.034 -9.115 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.225 -2.324 -9.234 1.00 0.00 C ATOM 0 H ILE A 70 2.450 -5.463 -12.031 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.346 -5.088 -11.009 1.00 0.00 H new ATOM 0 HB ILE A 70 0.531 -4.144 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.279 -4.197 -8.929 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.010 -3.803 -10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.045 -5.966 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.736 -6.655 -9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.371 -6.480 -9.781 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.139 -1.730 -9.241 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.515 -1.906 -9.948 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.789 -2.306 -8.235 1.00 0.00 H new ATOM 1046 N THR A 71 -0.301 -2.622 -11.507 1.00 0.00 N ATOM 1047 CA THR A 71 -0.353 -1.285 -12.138 1.00 0.00 C ATOM 1048 C THR A 71 -0.995 -0.280 -11.212 1.00 0.00 C ATOM 1049 O THR A 71 -2.076 -0.509 -10.706 1.00 0.00 O ATOM 1050 CB THR A 71 -1.186 -1.378 -13.419 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.734 -2.545 -14.072 1.00 0.00 O ATOM 1052 CG2 THR A 71 -0.838 -0.234 -14.383 1.00 0.00 C ATOM 0 H THR A 71 -1.098 -2.858 -10.915 1.00 0.00 H new ATOM 0 HA THR A 71 0.664 -0.960 -12.359 1.00 0.00 H new ATOM 0 HB THR A 71 -2.248 -1.357 -13.172 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.232 -2.666 -14.907 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.443 -0.322 -15.285 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.042 0.722 -13.901 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.218 -0.289 -14.647 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.314 0.825 -11.008 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.875 1.870 -10.106 1.00 0.00 C ATOM 1062 C VAL A 72 -1.287 3.108 -10.891 1.00 0.00 C ATOM 1063 O VAL A 72 -0.579 3.552 -11.789 1.00 0.00 O ATOM 1064 CB VAL A 72 0.185 2.264 -9.062 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.770 0.998 -8.435 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.300 3.056 -9.733 1.00 0.00 C ATOM 0 H VAL A 72 0.592 1.042 -11.423 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.758 1.461 -9.614 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.279 2.878 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.522 1.272 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.025 0.430 -7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.231 0.387 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.048 3.333 -8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.766 2.445 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.885 3.958 -10.184 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.439 3.632 -10.538 1.00 0.00 N ATOM 1077 CA TYR A 73 -2.957 4.845 -11.228 1.00 0.00 C ATOM 1078 C TYR A 73 -3.147 5.989 -10.235 1.00 0.00 C ATOM 1079 O TYR A 73 -3.985 5.915 -9.358 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.337 4.510 -11.822 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.190 3.789 -13.167 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.742 2.482 -13.220 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.552 4.419 -14.342 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.663 1.818 -14.430 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -4.472 3.753 -15.549 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.026 2.449 -15.601 1.00 0.00 C ATOM 1087 OH TYR A 73 -3.939 1.785 -16.809 1.00 0.00 O ATOM 0 H TYR A 73 -3.040 3.266 -9.799 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.246 5.144 -11.998 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.895 3.882 -11.127 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.912 5.426 -11.956 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.452 1.977 -12.311 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.900 5.441 -14.316 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.314 0.796 -14.458 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.761 4.257 -16.459 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.236 2.378 -17.530 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.371 7.026 -10.384 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.507 8.173 -9.450 1.00 0.00 C ATOM 1099 C ALA A 74 -3.554 9.152 -9.971 1.00 0.00 C ATOM 1100 O ALA A 74 -3.304 9.885 -10.909 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.151 8.894 -9.359 1.00 0.00 C ATOM 0 H ALA A 74 -1.656 7.127 -11.105 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.815 7.809 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.234 9.740 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.395 8.202 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.862 9.252 -10.347 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.715 9.144 -9.350 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.795 10.068 -9.796 1.00 0.00 C ATOM 1109 C VAL A 75 -6.045 11.163 -8.767 1.00 0.00 C ATOM 1110 O VAL A 75 -6.393 10.889 -7.634 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.085 9.250 -9.972 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.131 10.107 -10.689 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.778 8.013 -10.822 1.00 0.00 C ATOM 0 H VAL A 75 -4.953 8.541 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.493 10.539 -10.731 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.467 8.945 -8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.048 9.531 -10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.341 10.997 -10.096 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.750 10.404 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.687 7.426 -10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.405 8.325 -11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.023 7.406 -10.322 1.00 0.00 H new ATOM 1123 N THR A 76 -5.854 12.390 -9.188 1.00 0.00 N ATOM 1124 CA THR A 76 -6.070 13.538 -8.267 1.00 0.00 C ATOM 1125 C THR A 76 -7.353 14.252 -8.627 1.00 0.00 C ATOM 1126 O THR A 76 -8.107 14.672 -7.770 1.00 0.00 O ATOM 1127 CB THR A 76 -4.902 14.515 -8.432 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.617 14.525 -9.815 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.629 13.962 -7.781 1.00 0.00 C ATOM 0 H THR A 76 -5.558 12.641 -10.131 1.00 0.00 H new ATOM 0 HA THR A 76 -6.133 13.178 -7.240 1.00 0.00 H new ATOM 0 HB THR A 76 -5.164 15.479 -7.997 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.873 15.138 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.814 14.674 -7.912 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.804 13.803 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.362 13.015 -8.250 1.00 0.00 H new ATOM 1266 N PRO A 87 0.037 6.913 -15.270 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.034 5.576 -14.687 1.00 0.00 C ATOM 1268 C PRO A 87 1.078 4.694 -15.229 1.00 0.00 C ATOM 1269 O PRO A 87 1.592 4.937 -16.302 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.411 5.026 -15.119 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.176 6.194 -15.815 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.173 7.345 -15.997 1.00 0.00 C ATOM 0 HA PRO A 87 0.082 5.598 -13.603 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.292 4.184 -15.801 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.968 4.662 -14.256 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.574 5.874 -16.778 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.024 6.514 -15.210 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.959 7.520 -17.051 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.565 8.278 -15.592 1.00 0.00 H new ATOM 1280 N ILE A 88 1.439 3.684 -14.485 1.00 0.00 N ATOM 1281 CA ILE A 88 2.525 2.799 -14.977 1.00 0.00 C ATOM 1282 C ILE A 88 2.378 1.387 -14.439 1.00 0.00 C ATOM 1283 O ILE A 88 1.703 1.165 -13.451 1.00 0.00 O ATOM 1284 CB ILE A 88 3.863 3.383 -14.510 1.00 0.00 C ATOM 1285 CG1 ILE A 88 5.015 2.518 -15.015 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.891 3.410 -12.965 1.00 0.00 C ATOM 1287 CD1 ILE A 88 6.238 3.404 -15.256 1.00 0.00 C ATOM 0 H ILE A 88 1.038 3.439 -13.579 1.00 0.00 H new ATOM 0 HA ILE A 88 2.476 2.747 -16.065 1.00 0.00 H new ATOM 0 HB ILE A 88 3.972 4.393 -14.905 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.250 1.742 -14.286 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.729 2.012 -15.937 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.840 3.824 -12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.073 4.029 -12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.780 2.396 -12.581 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.065 2.792 -15.617 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.996 4.163 -16.000 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.526 3.889 -14.323 1.00 0.00 H new ATOM 1299 N SER A 89 3.019 0.455 -15.105 1.00 0.00 N ATOM 1300 CA SER A 89 2.940 -0.958 -14.660 1.00 0.00 C ATOM 1301 C SER A 89 4.318 -1.594 -14.605 1.00 0.00 C ATOM 1302 O SER A 89 5.244 -1.139 -15.245 1.00 0.00 O ATOM 1303 CB SER A 89 2.096 -1.735 -15.679 1.00 0.00 C ATOM 1304 OG SER A 89 1.565 -0.732 -16.532 1.00 0.00 O ATOM 0 H SER A 89 3.590 0.619 -15.934 1.00 0.00 H new ATOM 0 HA SER A 89 2.499 -0.987 -13.664 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.702 -2.450 -16.235 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.304 -2.302 -15.190 1.00 0.00 H new ATOM 0 HG SER A 89 1.008 -1.150 -17.221 1.00 0.00 H new ATOM 1310 N ILE A 90 4.426 -2.645 -13.841 1.00 0.00 N ATOM 1311 CA ILE A 90 5.732 -3.327 -13.730 1.00 0.00 C ATOM 1312 C ILE A 90 5.546 -4.808 -13.436 1.00 0.00 C ATOM 1313 O ILE A 90 4.659 -5.195 -12.696 1.00 0.00 O ATOM 1314 CB ILE A 90 6.524 -2.692 -12.582 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.593 -1.827 -11.723 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.616 -1.788 -13.188 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.313 -1.400 -10.430 1.00 0.00 C ATOM 0 H ILE A 90 3.668 -3.054 -13.294 1.00 0.00 H new ATOM 0 HA ILE A 90 6.265 -3.221 -14.675 1.00 0.00 H new ATOM 0 HB ILE A 90 6.965 -3.474 -11.964 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.282 -0.946 -12.284 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.689 -2.384 -11.478 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.192 -1.326 -12.386 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.279 -2.387 -13.812 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.150 -1.011 -13.794 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.644 -0.786 -9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.601 -2.286 -9.864 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.204 -0.825 -10.683 1.00 0.00 H new ATOM 1329 N ASN A 91 6.388 -5.614 -14.034 1.00 0.00 N ATOM 1330 CA ASN A 91 6.293 -7.071 -13.814 1.00 0.00 C ATOM 1331 C ASN A 91 7.331 -7.525 -12.803 1.00 0.00 C ATOM 1332 O ASN A 91 8.472 -7.112 -12.857 1.00 0.00 O ATOM 1333 CB ASN A 91 6.575 -7.772 -15.146 1.00 0.00 C ATOM 1334 CG ASN A 91 7.349 -6.823 -16.066 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.777 -5.993 -16.743 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.650 -6.914 -16.118 1.00 0.00 N ATOM 0 H ASN A 91 7.134 -5.316 -14.663 1.00 0.00 H new ATOM 0 HA ASN A 91 5.300 -7.316 -13.438 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.151 -8.682 -14.976 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.639 -8.071 -15.618 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.181 -6.290 -16.725 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.136 -7.609 -15.551 1.00 0.00 H new ATOM 1343 N TYR A 92 6.920 -8.368 -11.898 1.00 0.00 N ATOM 1344 CA TYR A 92 7.876 -8.856 -10.877 1.00 0.00 C ATOM 1345 C TYR A 92 7.597 -10.306 -10.525 1.00 0.00 C ATOM 1346 O TYR A 92 6.462 -10.692 -10.325 1.00 0.00 O ATOM 1347 CB TYR A 92 7.714 -8.002 -9.610 1.00 0.00 C ATOM 1348 CG TYR A 92 8.874 -8.292 -8.649 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.896 -9.453 -7.900 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.911 -7.392 -8.514 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.939 -9.708 -7.034 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.954 -7.648 -7.648 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.976 -8.808 -6.902 1.00 0.00 C ATOM 1354 OH TYR A 92 12.019 -9.062 -6.034 1.00 0.00 O ATOM 0 H TYR A 92 5.971 -8.735 -11.824 1.00 0.00 H new ATOM 0 HA TYR A 92 8.888 -8.780 -11.275 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.699 -6.944 -9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.763 -8.225 -9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.090 -10.166 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.906 -6.479 -9.091 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.944 -10.620 -6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.759 -6.935 -7.553 1.00 0.00 H new ATOM 0 HH TYR A 92 12.661 -8.323 -6.069 1.00 0.00 H new ATOM 1364 N ARG A 93 8.638 -11.089 -10.454 1.00 0.00 N ATOM 1365 CA ARG A 93 8.447 -12.513 -10.114 1.00 0.00 C ATOM 1366 C ARG A 93 8.358 -12.684 -8.610 1.00 0.00 C ATOM 1367 O ARG A 93 9.344 -12.560 -7.908 1.00 0.00 O ATOM 1368 CB ARG A 93 9.641 -13.317 -10.666 1.00 0.00 C ATOM 1369 CG ARG A 93 9.809 -14.616 -9.860 1.00 0.00 C ATOM 1370 CD ARG A 93 10.594 -15.637 -10.694 1.00 0.00 C ATOM 1371 NE ARG A 93 11.419 -14.921 -11.709 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.539 -14.357 -11.346 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.412 -15.060 -10.678 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.751 -13.110 -11.669 1.00 0.00 N ATOM 0 H ARG A 93 9.603 -10.801 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 93 7.519 -12.875 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.480 -13.549 -11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.552 -12.721 -10.607 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.334 -14.412 -8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.832 -15.021 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.234 -16.236 -10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.907 -16.325 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 93 11.110 -14.872 -12.680 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.214 -16.034 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.293 -14.636 -10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.047 -12.593 -12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.620 -12.653 -11.394 1.00 0.00 H new ATOM 1388 N THR A 94 7.163 -12.959 -8.144 1.00 0.00 N ATOM 1389 CA THR A 94 6.961 -13.146 -6.675 1.00 0.00 C ATOM 1390 C THR A 94 6.413 -14.541 -6.388 1.00 0.00 C ATOM 1391 O THR A 94 6.186 -15.246 -7.363 1.00 0.00 O ATOM 1392 CB THR A 94 5.935 -12.096 -6.189 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.437 -11.503 -7.365 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.614 -10.923 -5.427 1.00 0.00 C ATOM 1395 OXT THR A 94 6.250 -14.830 -5.213 1.00 0.00 O ATOM 0 H THR A 94 6.324 -13.061 -8.715 1.00 0.00 H new ATOM 0 HA THR A 94 7.914 -13.028 -6.159 1.00 0.00 H new ATOM 0 HB THR A 94 5.204 -12.582 -5.543 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.035 -10.636 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.855 -10.210 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.140 -11.312 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.324 -10.423 -6.086 1.00 0.00 H new