USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 70 SER OG : rot -116:sc= 1.18 USER MOD Set 1.2: A 72 THR OG1 : rot 39:sc= 0.177 USER MOD Set 2.1: A 54 THR OG1 : rot 114:sc= 0.114 USER MOD Set 2.2: A 56 CYS SG : rot 180:sc= 0.111 USER MOD Set 3.1: A 28 MET CE :methyl -151:sc= -0.927 (180deg=0) USER MOD Set 3.2: A 48 MET CE :methyl -175:sc= -8.48! (180deg=-8.81!) USER MOD Set 4.1: A 18 MET CE :methyl 158:sc= -3.69 (180deg=-1.14) USER MOD Set 4.2: A 82 MET CE :methyl -152:sc= -10.8! (180deg=-9.05!) USER MOD Set 4.3: A 86 MET CE :methyl -166:sc= -10.3! (180deg=-9.14!) USER MOD Single : A 6 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.65) USER MOD Single : A 7 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0539 (180deg=-0.303) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -163:sc= 0 (180deg=-0.294) USER MOD Single : A 51 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.4!) USER MOD Single : A 52 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.14) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -134:sc= -2.3 (180deg=-8!) USER MOD Single : A 85 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot 65:sc= 1.09 USER MOD Single : B 121 MET CE :methyl 155:sc= -6.41! (180deg=-8.04!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.176 2.556 -1.045 1.00 0.00 N ATOM 68 CA GLN A 6 -13.205 2.692 0.035 1.00 0.00 C ATOM 69 C GLN A 6 -11.832 3.089 -0.503 1.00 0.00 C ATOM 70 O GLN A 6 -11.042 3.728 0.193 1.00 0.00 O ATOM 71 CB GLN A 6 -13.103 1.382 0.822 1.00 0.00 C ATOM 72 CG GLN A 6 -12.479 0.243 0.033 1.00 0.00 C ATOM 73 CD GLN A 6 -12.482 -1.065 0.799 1.00 0.00 C ATOM 74 OE1 GLN A 6 -13.405 -1.349 1.563 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.445 -1.872 0.598 1.00 0.00 N ATOM 0 HA GLN A 6 -13.550 3.483 0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.513 1.554 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.100 1.084 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.023 0.113 -0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.454 0.505 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.702 -1.597 -0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.393 -2.766 1.086 1.00 0.00 H new ATOM 84 N GLN A 7 -11.555 2.710 -1.747 1.00 0.00 N ATOM 85 CA GLN A 7 -10.278 3.030 -2.379 1.00 0.00 C ATOM 86 C GLN A 7 -10.201 4.508 -2.744 1.00 0.00 C ATOM 87 O GLN A 7 -9.117 5.048 -2.964 1.00 0.00 O ATOM 88 CB GLN A 7 -10.074 2.182 -3.637 1.00 0.00 C ATOM 89 CG GLN A 7 -10.517 0.735 -3.481 1.00 0.00 C ATOM 90 CD GLN A 7 -11.502 0.306 -4.551 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.205 1.133 -5.133 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.559 -0.994 -4.817 1.00 0.00 N ATOM 0 H GLN A 7 -12.197 2.181 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.489 2.806 -1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.625 2.634 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.019 2.202 -3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.642 0.086 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.972 0.603 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.958 -1.645 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.203 -1.341 -5.527 1.00 0.00 H new ATOM 101 N ALA A 8 -11.358 5.158 -2.814 1.00 0.00 N ATOM 102 CA ALA A 8 -11.419 6.571 -3.158 1.00 0.00 C ATOM 103 C ALA A 8 -11.250 7.442 -1.921 1.00 0.00 C ATOM 104 O ALA A 8 -10.440 8.369 -1.908 1.00 0.00 O ATOM 105 CB ALA A 8 -12.731 6.889 -3.858 1.00 0.00 C ATOM 0 H ALA A 8 -12.265 4.727 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.597 6.790 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.762 7.949 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.809 6.298 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.564 6.648 -3.197 1.00 0.00 H new ATOM 111 N GLU A 9 -12.011 7.132 -0.874 1.00 0.00 N ATOM 112 CA GLU A 9 -11.930 7.885 0.373 1.00 0.00 C ATOM 113 C GLU A 9 -10.507 7.840 0.910 1.00 0.00 C ATOM 114 O GLU A 9 -10.000 8.821 1.450 1.00 0.00 O ATOM 115 CB GLU A 9 -12.902 7.316 1.407 1.00 0.00 C ATOM 116 CG GLU A 9 -14.328 7.190 0.898 1.00 0.00 C ATOM 117 CD GLU A 9 -15.204 8.350 1.328 1.00 0.00 C ATOM 118 OE1 GLU A 9 -14.923 8.946 2.389 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.173 8.663 0.602 1.00 0.00 O ATOM 0 H GLU A 9 -12.687 6.368 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.205 8.921 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.550 6.334 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.896 7.955 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.318 7.131 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.760 6.258 1.264 1.00 0.00 H new ATOM 126 N ALA A 10 -9.868 6.688 0.737 1.00 0.00 N ATOM 127 CA ALA A 10 -8.497 6.484 1.178 1.00 0.00 C ATOM 128 C ALA A 10 -7.602 7.645 0.760 1.00 0.00 C ATOM 129 O ALA A 10 -6.972 8.291 1.598 1.00 0.00 O ATOM 130 CB ALA A 10 -7.974 5.183 0.598 1.00 0.00 C ATOM 0 H ALA A 10 -10.286 5.873 0.288 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.485 6.434 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.946 5.026 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.595 4.356 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.004 5.232 -0.490 1.00 0.00 H new ATOM 136 N ARG A 11 -7.557 7.907 -0.543 1.00 0.00 N ATOM 137 CA ARG A 11 -6.744 8.995 -1.079 1.00 0.00 C ATOM 138 C ARG A 11 -7.066 10.311 -0.376 1.00 0.00 C ATOM 139 O ARG A 11 -6.229 11.211 -0.308 1.00 0.00 O ATOM 140 CB ARG A 11 -6.974 9.135 -2.585 1.00 0.00 C ATOM 141 CG ARG A 11 -5.706 9.447 -3.365 1.00 0.00 C ATOM 142 CD ARG A 11 -5.791 8.939 -4.795 1.00 0.00 C ATOM 143 NE ARG A 11 -6.077 10.015 -5.743 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.204 10.964 -6.073 1.00 0.00 C ATOM 145 NH1 ARG A 11 -3.990 10.975 -5.535 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.545 11.904 -6.943 1.00 0.00 N ATOM 0 H ARG A 11 -8.074 7.381 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.696 8.757 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.407 8.210 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.704 9.925 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.537 10.524 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.850 8.992 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.851 8.458 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.569 8.179 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.000 10.040 -6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.722 10.254 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.325 11.705 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.476 11.900 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.876 12.631 -7.196 1.00 0.00 H new ATOM 160 N ALA A 12 -8.284 10.412 0.148 1.00 0.00 N ATOM 161 CA ALA A 12 -8.719 11.613 0.848 1.00 0.00 C ATOM 162 C ALA A 12 -8.513 11.480 2.355 1.00 0.00 C ATOM 163 O ALA A 12 -8.469 12.478 3.073 1.00 0.00 O ATOM 164 CB ALA A 12 -10.179 11.903 0.538 1.00 0.00 C ATOM 0 H ALA A 12 -8.987 9.675 0.100 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.110 12.447 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.492 12.803 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.300 12.052 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.793 11.062 0.859 1.00 0.00 H new ATOM 170 N PHE A 13 -8.392 10.243 2.831 1.00 0.00 N ATOM 171 CA PHE A 13 -8.195 9.991 4.254 1.00 0.00 C ATOM 172 C PHE A 13 -6.751 10.268 4.663 1.00 0.00 C ATOM 173 O PHE A 13 -6.475 10.600 5.816 1.00 0.00 O ATOM 174 CB PHE A 13 -8.569 8.546 4.595 1.00 0.00 C ATOM 175 CG PHE A 13 -9.546 8.434 5.730 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.100 8.360 7.041 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.910 8.403 5.487 1.00 0.00 C ATOM 178 CE1 PHE A 13 -9.997 8.257 8.087 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.811 8.300 6.530 1.00 0.00 C ATOM 180 CZ PHE A 13 -11.354 8.227 7.832 1.00 0.00 C ATOM 0 H PHE A 13 -8.427 9.403 2.254 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.845 10.667 4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.994 8.071 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.664 7.995 4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.040 8.383 7.247 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.273 8.460 4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.637 8.200 9.104 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.872 8.277 6.328 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.056 8.147 8.648 1.00 0.00 H new ATOM 190 N LEU A 14 -5.832 10.128 3.712 1.00 0.00 N ATOM 191 CA LEU A 14 -4.418 10.362 3.977 1.00 0.00 C ATOM 192 C LEU A 14 -3.962 11.688 3.377 1.00 0.00 C ATOM 193 O LEU A 14 -4.545 12.179 2.412 1.00 0.00 O ATOM 194 CB LEU A 14 -3.576 9.219 3.409 1.00 0.00 C ATOM 195 CG LEU A 14 -4.124 7.818 3.681 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.392 6.787 2.836 1.00 0.00 C ATOM 197 CD2 LEU A 14 -4.006 7.480 5.159 1.00 0.00 C ATOM 0 H LEU A 14 -6.042 9.854 2.752 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.280 10.406 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.486 9.355 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.571 9.287 3.824 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.179 7.799 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.795 5.795 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.526 7.021 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.330 6.805 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.400 6.479 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.958 7.515 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.575 8.203 5.744 1.00 0.00 H new ATOM 209 N SER A 15 -2.912 12.260 3.957 1.00 0.00 N ATOM 210 CA SER A 15 -2.370 13.528 3.479 1.00 0.00 C ATOM 211 C SER A 15 -1.586 13.324 2.190 1.00 0.00 C ATOM 212 O SER A 15 -1.168 12.209 1.878 1.00 0.00 O ATOM 213 CB SER A 15 -1.461 14.151 4.542 1.00 0.00 C ATOM 214 OG SER A 15 -1.616 15.559 4.584 1.00 0.00 O ATOM 0 H SER A 15 -2.419 11.866 4.759 1.00 0.00 H new ATOM 0 HA SER A 15 -3.204 14.202 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.695 13.727 5.519 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.422 13.903 4.327 1.00 0.00 H new ATOM 0 HG SER A 15 -1.026 15.933 5.272 1.00 0.00 H new ATOM 220 N GLU A 16 -1.371 14.408 1.449 1.00 0.00 N ATOM 221 CA GLU A 16 -0.616 14.337 0.202 1.00 0.00 C ATOM 222 C GLU A 16 0.699 13.598 0.426 1.00 0.00 C ATOM 223 O GLU A 16 1.241 12.971 -0.484 1.00 0.00 O ATOM 224 CB GLU A 16 -0.344 15.742 -0.339 1.00 0.00 C ATOM 225 CG GLU A 16 -1.510 16.332 -1.115 1.00 0.00 C ATOM 226 CD GLU A 16 -1.118 16.777 -2.511 1.00 0.00 C ATOM 227 OE1 GLU A 16 -0.736 15.910 -3.324 1.00 0.00 O ATOM 228 OE2 GLU A 16 -1.194 17.992 -2.791 1.00 0.00 O ATOM 0 H GLU A 16 -1.707 15.341 1.689 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.208 13.790 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.102 16.402 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.533 15.710 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.307 15.592 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.913 17.183 -0.566 1.00 0.00 H new ATOM 235 N GLU A 17 1.198 13.673 1.658 1.00 0.00 N ATOM 236 CA GLU A 17 2.439 13.011 2.032 1.00 0.00 C ATOM 237 C GLU A 17 2.314 11.500 1.865 1.00 0.00 C ATOM 238 O GLU A 17 3.127 10.869 1.190 1.00 0.00 O ATOM 239 CB GLU A 17 2.788 13.348 3.482 1.00 0.00 C ATOM 240 CG GLU A 17 3.727 14.536 3.622 1.00 0.00 C ATOM 241 CD GLU A 17 4.242 14.709 5.038 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.439 14.565 5.983 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.449 14.985 5.201 1.00 0.00 O ATOM 0 H GLU A 17 0.755 14.191 2.417 1.00 0.00 H new ATOM 0 HA GLU A 17 3.234 13.366 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.869 13.556 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.247 12.476 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.572 14.408 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.207 15.443 3.315 1.00 0.00 H new ATOM 250 N MET A 18 1.287 10.928 2.486 1.00 0.00 N ATOM 251 CA MET A 18 1.048 9.491 2.412 1.00 0.00 C ATOM 252 C MET A 18 0.815 9.046 0.970 1.00 0.00 C ATOM 253 O MET A 18 0.996 7.875 0.637 1.00 0.00 O ATOM 254 CB MET A 18 -0.152 9.109 3.281 1.00 0.00 C ATOM 255 CG MET A 18 0.051 7.826 4.075 1.00 0.00 C ATOM 256 SD MET A 18 1.079 8.066 5.538 1.00 0.00 S ATOM 257 CE MET A 18 0.427 6.801 6.627 1.00 0.00 C ATOM 0 H MET A 18 0.606 11.439 3.047 1.00 0.00 H new ATOM 0 HA MET A 18 1.936 8.981 2.786 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.363 9.925 3.973 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.029 8.997 2.644 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.920 7.434 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.511 7.075 3.432 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.172 6.553 7.383 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.476 7.170 7.114 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.188 5.909 6.047 1.00 0.00 H new ATOM 267 N ILE A 19 0.415 9.985 0.113 1.00 0.00 N ATOM 268 CA ILE A 19 0.165 9.680 -1.291 1.00 0.00 C ATOM 269 C ILE A 19 1.472 9.648 -2.075 1.00 0.00 C ATOM 270 O ILE A 19 1.879 8.606 -2.584 1.00 0.00 O ATOM 271 CB ILE A 19 -0.793 10.708 -1.933 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.219 10.492 -1.424 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.748 10.615 -3.455 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.171 11.605 -1.802 1.00 0.00 C ATOM 0 H ILE A 19 0.258 10.960 0.368 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.305 8.697 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.467 11.708 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.599 9.550 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.198 10.396 -0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.431 11.348 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.266 10.816 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.047 9.614 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.163 11.385 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.815 12.546 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.222 11.687 -2.888 1.00 0.00 H new ATOM 286 N ALA A 20 2.131 10.799 -2.162 1.00 0.00 N ATOM 287 CA ALA A 20 3.397 10.904 -2.878 1.00 0.00 C ATOM 288 C ALA A 20 4.354 9.787 -2.468 1.00 0.00 C ATOM 289 O ALA A 20 5.231 9.391 -3.236 1.00 0.00 O ATOM 290 CB ALA A 20 4.023 12.266 -2.627 1.00 0.00 C ATOM 0 H ALA A 20 1.809 11.672 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 20 3.200 10.797 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.968 12.337 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.347 13.047 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.203 12.393 -1.559 1.00 0.00 H new ATOM 296 N GLU A 21 4.168 9.279 -1.254 1.00 0.00 N ATOM 297 CA GLU A 21 4.996 8.201 -0.734 1.00 0.00 C ATOM 298 C GLU A 21 4.413 6.850 -1.136 1.00 0.00 C ATOM 299 O GLU A 21 5.147 5.890 -1.371 1.00 0.00 O ATOM 300 CB GLU A 21 5.097 8.307 0.787 1.00 0.00 C ATOM 301 CG GLU A 21 5.693 9.622 1.264 1.00 0.00 C ATOM 302 CD GLU A 21 5.420 9.888 2.731 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.837 9.065 3.572 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.789 10.921 3.040 1.00 0.00 O ATOM 0 H GLU A 21 3.446 9.600 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 21 5.997 8.286 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.103 8.190 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.706 7.484 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.770 9.611 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.285 10.439 0.668 1.00 0.00 H new ATOM 311 N PHE A 22 3.086 6.790 -1.229 1.00 0.00 N ATOM 312 CA PHE A 22 2.398 5.565 -1.621 1.00 0.00 C ATOM 313 C PHE A 22 2.848 5.140 -3.016 1.00 0.00 C ATOM 314 O PHE A 22 2.934 3.952 -3.323 1.00 0.00 O ATOM 315 CB PHE A 22 0.872 5.776 -1.571 1.00 0.00 C ATOM 316 CG PHE A 22 0.145 5.501 -2.864 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.325 6.321 -3.969 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.722 4.425 -2.970 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.343 6.072 -5.152 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.393 4.171 -4.153 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.204 4.996 -5.245 1.00 0.00 C ATOM 0 H PHE A 22 2.466 7.577 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 22 2.653 4.769 -0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.457 5.133 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.673 6.805 -1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.996 7.165 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.876 3.777 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.192 6.718 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.064 3.328 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.728 4.800 -6.169 1.00 0.00 H new ATOM 331 N LYS A 23 3.138 6.132 -3.851 1.00 0.00 N ATOM 332 CA LYS A 23 3.586 5.884 -5.213 1.00 0.00 C ATOM 333 C LYS A 23 5.038 5.409 -5.232 1.00 0.00 C ATOM 334 O LYS A 23 5.507 4.855 -6.227 1.00 0.00 O ATOM 335 CB LYS A 23 3.440 7.154 -6.052 1.00 0.00 C ATOM 336 CG LYS A 23 3.592 6.912 -7.543 1.00 0.00 C ATOM 337 CD LYS A 23 4.954 7.360 -8.046 1.00 0.00 C ATOM 338 CE LYS A 23 4.869 7.922 -9.456 1.00 0.00 C ATOM 339 NZ LYS A 23 4.144 9.222 -9.493 1.00 0.00 N ATOM 0 H LYS A 23 3.070 7.120 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 23 2.963 5.098 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.462 7.596 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.187 7.880 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.455 5.852 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.810 7.448 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.360 8.117 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.645 6.517 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.875 8.056 -9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.362 7.205 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.428 9.754 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.119 9.047 -9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.378 9.774 -8.643 1.00 0.00 H new ATOM 353 N ALA A 24 5.745 5.635 -4.126 1.00 0.00 N ATOM 354 CA ALA A 24 7.148 5.239 -4.006 1.00 0.00 C ATOM 355 C ALA A 24 7.398 3.831 -4.543 1.00 0.00 C ATOM 356 O ALA A 24 7.983 3.660 -5.613 1.00 0.00 O ATOM 357 CB ALA A 24 7.594 5.327 -2.553 1.00 0.00 C ATOM 0 H ALA A 24 5.367 6.092 -3.296 1.00 0.00 H new ATOM 0 HA ALA A 24 7.733 5.930 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.640 5.030 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.480 6.352 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.982 4.662 -1.944 1.00 0.00 H new ATOM 363 N ALA A 25 6.966 2.827 -3.788 1.00 0.00 N ATOM 364 CA ALA A 25 7.159 1.435 -4.179 1.00 0.00 C ATOM 365 C ALA A 25 6.194 1.008 -5.285 1.00 0.00 C ATOM 366 O ALA A 25 6.268 -0.118 -5.775 1.00 0.00 O ATOM 367 CB ALA A 25 7.013 0.529 -2.966 1.00 0.00 C ATOM 0 H ALA A 25 6.479 2.951 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 25 8.168 1.342 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.159 -0.508 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.760 0.798 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.016 0.647 -2.542 1.00 0.00 H new ATOM 373 N PHE A 26 5.290 1.903 -5.679 1.00 0.00 N ATOM 374 CA PHE A 26 4.322 1.598 -6.730 1.00 0.00 C ATOM 375 C PHE A 26 5.015 1.073 -7.984 1.00 0.00 C ATOM 376 O PHE A 26 4.427 0.321 -8.761 1.00 0.00 O ATOM 377 CB PHE A 26 3.498 2.839 -7.071 1.00 0.00 C ATOM 378 CG PHE A 26 2.302 2.547 -7.931 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.217 1.853 -7.420 1.00 0.00 C ATOM 380 CD2 PHE A 26 2.263 2.966 -9.252 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.116 1.582 -8.209 1.00 0.00 C ATOM 382 CE2 PHE A 26 1.164 2.697 -10.046 1.00 0.00 C ATOM 383 CZ PHE A 26 0.089 2.004 -9.524 1.00 0.00 C ATOM 0 H PHE A 26 5.208 2.841 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 26 3.658 0.819 -6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.164 3.309 -6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.136 3.560 -7.583 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.232 1.520 -6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.100 3.509 -9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.723 1.041 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.146 3.028 -11.074 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.771 1.793 -10.143 1.00 0.00 H new ATOM 393 N ASP A 27 6.269 1.473 -8.177 1.00 0.00 N ATOM 394 CA ASP A 27 7.039 1.039 -9.337 1.00 0.00 C ATOM 395 C ASP A 27 7.634 -0.346 -9.107 1.00 0.00 C ATOM 396 O ASP A 27 7.329 -1.291 -9.835 1.00 0.00 O ATOM 397 CB ASP A 27 8.153 2.043 -9.641 1.00 0.00 C ATOM 398 CG ASP A 27 8.394 2.206 -11.129 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.596 2.908 -11.786 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.380 1.633 -11.638 1.00 0.00 O ATOM 0 H ASP A 27 6.772 2.096 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 27 6.364 0.987 -10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.895 3.010 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.075 1.715 -9.160 1.00 0.00 H new ATOM 405 N MET A 28 8.481 -0.460 -8.088 1.00 0.00 N ATOM 406 CA MET A 28 9.115 -1.734 -7.761 1.00 0.00 C ATOM 407 C MET A 28 8.067 -2.808 -7.487 1.00 0.00 C ATOM 408 O MET A 28 8.310 -3.996 -7.703 1.00 0.00 O ATOM 409 CB MET A 28 10.030 -1.575 -6.545 1.00 0.00 C ATOM 410 CG MET A 28 11.084 -0.493 -6.714 1.00 0.00 C ATOM 411 SD MET A 28 12.629 -1.130 -7.391 1.00 0.00 S ATOM 412 CE MET A 28 13.826 -0.189 -6.447 1.00 0.00 C ATOM 0 H MET A 28 8.744 0.312 -7.476 1.00 0.00 H new ATOM 0 HA MET A 28 9.713 -2.045 -8.618 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.421 -1.344 -5.671 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.525 -2.525 -6.347 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.698 0.286 -7.371 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.279 -0.027 -5.748 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.732 -0.056 -7.038 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.408 0.787 -6.199 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.067 -0.725 -5.529 1.00 0.00 H new ATOM 422 N PHE A 29 6.900 -2.382 -7.014 1.00 0.00 N ATOM 423 CA PHE A 29 5.811 -3.304 -6.711 1.00 0.00 C ATOM 424 C PHE A 29 5.438 -4.127 -7.941 1.00 0.00 C ATOM 425 O PHE A 29 5.757 -5.313 -8.028 1.00 0.00 O ATOM 426 CB PHE A 29 4.586 -2.529 -6.221 1.00 0.00 C ATOM 427 CG PHE A 29 4.543 -2.347 -4.731 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.759 -3.418 -3.881 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.284 -1.103 -4.181 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.718 -3.251 -2.510 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.242 -0.929 -2.812 1.00 0.00 C ATOM 432 CZ PHE A 29 4.460 -2.005 -1.976 1.00 0.00 C ATOM 0 H PHE A 29 6.684 -1.402 -6.832 1.00 0.00 H new ATOM 0 HA PHE A 29 6.148 -3.982 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.572 -1.549 -6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.685 -3.052 -6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.962 -4.395 -4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.113 -0.258 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.888 -4.094 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.039 0.047 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.429 -1.872 -0.905 1.00 0.00 H new ATOM 442 N ASP A 30 4.758 -3.487 -8.887 1.00 0.00 N ATOM 443 CA ASP A 30 4.334 -4.151 -10.113 1.00 0.00 C ATOM 444 C ASP A 30 5.519 -4.780 -10.836 1.00 0.00 C ATOM 445 O ASP A 30 6.454 -4.089 -11.239 1.00 0.00 O ATOM 446 CB ASP A 30 3.631 -3.157 -11.039 1.00 0.00 C ATOM 447 CG ASP A 30 2.262 -2.757 -10.524 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.468 -3.660 -10.185 1.00 0.00 O ATOM 449 OD2 ASP A 30 1.984 -1.541 -10.460 1.00 0.00 O ATOM 0 H ASP A 30 4.488 -2.505 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 30 3.637 -4.944 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.250 -2.266 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.529 -3.598 -12.031 1.00 0.00 H new ATOM 454 N ALA A 31 5.468 -6.095 -10.999 1.00 0.00 N ATOM 455 CA ALA A 31 6.531 -6.826 -11.676 1.00 0.00 C ATOM 456 C ALA A 31 6.201 -7.023 -13.150 1.00 0.00 C ATOM 457 O ALA A 31 7.038 -6.787 -14.022 1.00 0.00 O ATOM 458 CB ALA A 31 6.757 -8.169 -11.002 1.00 0.00 C ATOM 0 H ALA A 31 4.699 -6.679 -10.670 1.00 0.00 H new ATOM 0 HA ALA A 31 7.447 -6.239 -11.608 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.554 -8.705 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.040 -8.011 -9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.839 -8.756 -11.043 1.00 0.00 H new ATOM 464 N ASP A 32 4.973 -7.455 -13.421 1.00 0.00 N ATOM 465 CA ASP A 32 4.528 -7.681 -14.791 1.00 0.00 C ATOM 466 C ASP A 32 4.459 -6.368 -15.567 1.00 0.00 C ATOM 467 O ASP A 32 4.464 -6.364 -16.797 1.00 0.00 O ATOM 468 CB ASP A 32 3.158 -8.362 -14.796 1.00 0.00 C ATOM 469 CG ASP A 32 2.164 -7.666 -13.887 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.476 -7.487 -12.692 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.073 -7.299 -14.372 1.00 0.00 O ATOM 0 H ASP A 32 4.269 -7.655 -12.710 1.00 0.00 H new ATOM 0 HA ASP A 32 5.253 -8.332 -15.280 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.767 -8.378 -15.813 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.270 -9.400 -14.481 1.00 0.00 H new ATOM 497 N ASP A 36 -1.285 -5.215 -10.182 1.00 0.00 N ATOM 498 CA ASP A 36 -1.603 -5.008 -8.774 1.00 0.00 C ATOM 499 C ASP A 36 -0.494 -5.552 -7.880 1.00 0.00 C ATOM 500 O ASP A 36 0.576 -5.924 -8.359 1.00 0.00 O ATOM 501 CB ASP A 36 -2.931 -5.681 -8.424 1.00 0.00 C ATOM 502 CG ASP A 36 -4.068 -5.209 -9.309 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.071 -4.020 -9.688 1.00 0.00 O ATOM 504 OD2 ASP A 36 -4.957 -6.030 -9.622 1.00 0.00 O ATOM 0 HA ASP A 36 -1.691 -3.935 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.824 -6.762 -8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.176 -5.476 -7.382 1.00 0.00 H new ATOM 509 N ILE A 37 -0.758 -5.592 -6.577 1.00 0.00 N ATOM 510 CA ILE A 37 0.218 -6.086 -5.615 1.00 0.00 C ATOM 511 C ILE A 37 -0.354 -7.237 -4.791 1.00 0.00 C ATOM 512 O ILE A 37 -1.443 -7.132 -4.228 1.00 0.00 O ATOM 513 CB ILE A 37 0.683 -4.954 -4.672 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.516 -3.935 -5.449 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.477 -5.510 -3.496 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.562 -2.573 -4.793 1.00 0.00 C ATOM 0 H ILE A 37 -1.640 -5.288 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 37 1.075 -6.453 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.200 -4.457 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.533 -4.313 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.107 -3.833 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.791 -4.691 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.852 -6.201 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.356 -6.037 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.170 -1.899 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.551 -2.175 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.999 -2.663 -3.798 1.00 0.00 H new ATOM 528 N SER A 38 0.395 -8.332 -4.723 1.00 0.00 N ATOM 529 CA SER A 38 -0.022 -9.505 -3.965 1.00 0.00 C ATOM 530 C SER A 38 0.890 -9.716 -2.758 1.00 0.00 C ATOM 531 O SER A 38 1.624 -8.811 -2.359 1.00 0.00 O ATOM 532 CB SER A 38 -0.008 -10.746 -4.859 1.00 0.00 C ATOM 533 OG SER A 38 -0.110 -10.390 -6.227 1.00 0.00 O ATOM 0 H SER A 38 1.298 -8.431 -5.186 1.00 0.00 H new ATOM 0 HA SER A 38 -1.038 -9.340 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.912 -11.307 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.835 -11.403 -4.588 1.00 0.00 H new ATOM 0 HG SER A 38 -0.097 -11.200 -6.778 1.00 0.00 H new ATOM 539 N THR A 39 0.840 -10.912 -2.180 1.00 0.00 N ATOM 540 CA THR A 39 1.665 -11.234 -1.019 1.00 0.00 C ATOM 541 C THR A 39 3.149 -11.224 -1.378 1.00 0.00 C ATOM 542 O THR A 39 4.001 -10.982 -0.524 1.00 0.00 O ATOM 543 CB THR A 39 1.276 -12.601 -0.456 1.00 0.00 C ATOM 544 OG1 THR A 39 1.022 -13.521 -1.502 1.00 0.00 O ATOM 545 CG2 THR A 39 0.048 -12.559 0.427 1.00 0.00 C ATOM 0 H THR A 39 0.239 -11.673 -2.495 1.00 0.00 H new ATOM 0 HA THR A 39 1.490 -10.470 -0.261 1.00 0.00 H new ATOM 0 HB THR A 39 2.127 -12.915 0.149 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.776 -14.390 -1.121 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.172 -13.562 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.231 -11.896 1.273 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.801 -12.188 -0.148 1.00 0.00 H new ATOM 553 N LYS A 40 3.452 -11.495 -2.644 1.00 0.00 N ATOM 554 CA LYS A 40 4.835 -11.524 -3.110 1.00 0.00 C ATOM 555 C LYS A 40 5.352 -10.115 -3.389 1.00 0.00 C ATOM 556 O LYS A 40 6.431 -9.737 -2.929 1.00 0.00 O ATOM 557 CB LYS A 40 4.952 -12.380 -4.372 1.00 0.00 C ATOM 558 CG LYS A 40 4.344 -13.765 -4.226 1.00 0.00 C ATOM 559 CD LYS A 40 4.427 -14.547 -5.527 1.00 0.00 C ATOM 560 CE LYS A 40 4.442 -16.047 -5.276 1.00 0.00 C ATOM 561 NZ LYS A 40 3.779 -16.801 -6.375 1.00 0.00 N ATOM 0 H LYS A 40 2.760 -11.697 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 40 5.445 -11.963 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.464 -11.863 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.005 -12.480 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.863 -14.311 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.302 -13.676 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.578 -14.292 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.328 -14.259 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.472 -16.387 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.939 -16.262 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.811 -17.819 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.788 -16.495 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.274 -16.616 -7.271 1.00 0.00 H new ATOM 575 N GLU A 41 4.580 -9.344 -4.149 1.00 0.00 N ATOM 576 CA GLU A 41 4.965 -7.978 -4.495 1.00 0.00 C ATOM 577 C GLU A 41 5.236 -7.143 -3.246 1.00 0.00 C ATOM 578 O GLU A 41 5.949 -6.141 -3.306 1.00 0.00 O ATOM 579 CB GLU A 41 3.873 -7.318 -5.337 1.00 0.00 C ATOM 580 CG GLU A 41 3.746 -7.903 -6.734 1.00 0.00 C ATOM 581 CD GLU A 41 3.497 -6.845 -7.791 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.888 -5.807 -7.459 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.913 -7.055 -8.949 1.00 0.00 O ATOM 0 H GLU A 41 3.685 -9.641 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 41 5.886 -8.028 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.918 -7.418 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.082 -6.251 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.657 -8.448 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.929 -8.624 -6.748 1.00 0.00 H new ATOM 590 N LEU A 42 4.667 -7.555 -2.117 1.00 0.00 N ATOM 591 CA LEU A 42 4.857 -6.832 -0.865 1.00 0.00 C ATOM 592 C LEU A 42 6.171 -7.224 -0.198 1.00 0.00 C ATOM 593 O LEU A 42 6.910 -6.368 0.285 1.00 0.00 O ATOM 594 CB LEU A 42 3.686 -7.088 0.087 1.00 0.00 C ATOM 595 CG LEU A 42 2.999 -5.829 0.620 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.026 -4.837 1.150 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.149 -5.187 -0.464 1.00 0.00 C ATOM 0 H LEU A 42 4.074 -8.381 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 42 4.896 -5.768 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.944 -7.698 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.046 -7.673 0.933 1.00 0.00 H new ATOM 0 HG LEU A 42 2.347 -6.119 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.515 -3.950 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.593 -5.297 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.706 -4.553 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.668 -4.293 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.782 -4.914 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.387 -5.893 -0.795 1.00 0.00 H new ATOM 609 N GLY A 43 6.457 -8.521 -0.177 1.00 0.00 N ATOM 610 CA GLY A 43 7.685 -8.999 0.434 1.00 0.00 C ATOM 611 C GLY A 43 8.928 -8.556 -0.318 1.00 0.00 C ATOM 612 O GLY A 43 10.045 -8.728 0.169 1.00 0.00 O ATOM 0 H GLY A 43 5.862 -9.250 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.739 -8.638 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.663 -10.088 0.480 1.00 0.00 H new ATOM 616 N THR A 44 8.740 -7.991 -1.506 1.00 0.00 N ATOM 617 CA THR A 44 9.857 -7.531 -2.323 1.00 0.00 C ATOM 618 C THR A 44 10.392 -6.188 -1.824 1.00 0.00 C ATOM 619 O THR A 44 11.454 -6.116 -1.207 1.00 0.00 O ATOM 620 CB THR A 44 9.413 -7.418 -3.791 1.00 0.00 C ATOM 621 OG1 THR A 44 9.591 -8.651 -4.463 1.00 0.00 O ATOM 622 CG2 THR A 44 10.157 -6.357 -4.583 1.00 0.00 C ATOM 0 H THR A 44 7.822 -7.840 -1.925 1.00 0.00 H new ATOM 0 HA THR A 44 10.664 -8.259 -2.245 1.00 0.00 H new ATOM 0 HB THR A 44 8.362 -7.132 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.302 -8.560 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.786 -6.341 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.998 -5.381 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.223 -6.586 -4.587 1.00 0.00 H new ATOM 630 N VAL A 45 9.651 -5.128 -2.122 1.00 0.00 N ATOM 631 CA VAL A 45 10.034 -3.776 -1.740 1.00 0.00 C ATOM 632 C VAL A 45 10.202 -3.626 -0.228 1.00 0.00 C ATOM 633 O VAL A 45 11.085 -2.903 0.234 1.00 0.00 O ATOM 634 CB VAL A 45 8.988 -2.760 -2.237 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.602 -3.136 -1.737 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.356 -1.343 -1.817 1.00 0.00 C ATOM 0 H VAL A 45 8.770 -5.182 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 45 10.998 -3.578 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 45 8.977 -2.788 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.875 -2.408 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.338 -4.126 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.598 -3.144 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.600 -0.648 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.406 -1.287 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.326 -1.079 -2.239 1.00 0.00 H new ATOM 646 N MET A 46 9.348 -4.291 0.537 1.00 0.00 N ATOM 647 CA MET A 46 9.405 -4.203 1.991 1.00 0.00 C ATOM 648 C MET A 46 10.660 -4.866 2.549 1.00 0.00 C ATOM 649 O MET A 46 11.175 -4.457 3.588 1.00 0.00 O ATOM 650 CB MET A 46 8.154 -4.831 2.605 1.00 0.00 C ATOM 651 CG MET A 46 6.920 -3.952 2.482 1.00 0.00 C ATOM 652 SD MET A 46 5.834 -4.065 3.916 1.00 0.00 S ATOM 653 CE MET A 46 6.111 -2.469 4.679 1.00 0.00 C ATOM 0 H MET A 46 8.609 -4.896 0.178 1.00 0.00 H new ATOM 0 HA MET A 46 9.445 -3.147 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.960 -5.788 2.120 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.340 -5.040 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.230 -2.916 2.348 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.365 -4.237 1.588 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.760 -2.493 5.711 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.176 -2.238 4.663 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.566 -1.703 4.128 1.00 0.00 H new ATOM 663 N ARG A 47 11.152 -5.889 1.858 1.00 0.00 N ATOM 664 CA ARG A 47 12.349 -6.600 2.299 1.00 0.00 C ATOM 665 C ARG A 47 13.617 -5.854 1.895 1.00 0.00 C ATOM 666 O ARG A 47 14.640 -5.939 2.574 1.00 0.00 O ATOM 667 CB ARG A 47 12.375 -8.014 1.717 1.00 0.00 C ATOM 668 CG ARG A 47 11.487 -8.996 2.461 1.00 0.00 C ATOM 669 CD ARG A 47 11.549 -10.383 1.843 1.00 0.00 C ATOM 670 NE ARG A 47 12.770 -11.095 2.216 1.00 0.00 N ATOM 671 CZ ARG A 47 13.249 -12.144 1.550 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.613 -12.606 0.480 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.365 -12.732 1.956 1.00 0.00 N ATOM 0 H ARG A 47 10.743 -6.244 0.994 1.00 0.00 H new ATOM 0 HA ARG A 47 12.316 -6.659 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.063 -7.974 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.400 -8.384 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.795 -9.048 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.458 -8.638 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.681 -10.961 2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.496 -10.299 0.758 1.00 0.00 H new ATOM 0 HE ARG A 47 13.285 -10.769 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.753 -12.157 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.984 -13.410 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.856 -12.381 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.733 -13.536 1.446 1.00 0.00 H new ATOM 687 N MET A 48 13.545 -5.127 0.784 1.00 0.00 N ATOM 688 CA MET A 48 14.693 -4.374 0.291 1.00 0.00 C ATOM 689 C MET A 48 14.669 -2.929 0.784 1.00 0.00 C ATOM 690 O MET A 48 15.449 -2.096 0.322 1.00 0.00 O ATOM 691 CB MET A 48 14.724 -4.399 -1.239 1.00 0.00 C ATOM 692 CG MET A 48 13.511 -3.745 -1.881 1.00 0.00 C ATOM 693 SD MET A 48 13.957 -2.489 -3.096 1.00 0.00 S ATOM 694 CE MET A 48 12.487 -1.467 -3.077 1.00 0.00 C ATOM 0 H MET A 48 12.706 -5.044 0.210 1.00 0.00 H new ATOM 0 HA MET A 48 15.593 -4.850 0.681 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.625 -3.893 -1.585 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.790 -5.433 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.903 -4.511 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.895 -3.291 -1.105 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.570 -0.695 -3.842 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.612 -2.085 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.383 -0.998 -2.099 1.00 0.00 H new ATOM 704 N LEU A 49 13.773 -2.631 1.721 1.00 0.00 N ATOM 705 CA LEU A 49 13.660 -1.282 2.264 1.00 0.00 C ATOM 706 C LEU A 49 13.962 -1.266 3.759 1.00 0.00 C ATOM 707 O LEU A 49 14.623 -0.356 4.258 1.00 0.00 O ATOM 708 CB LEU A 49 12.260 -0.724 2.009 1.00 0.00 C ATOM 709 CG LEU A 49 12.024 -0.195 0.594 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.631 0.405 0.477 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.087 0.828 0.223 1.00 0.00 C ATOM 0 H LEU A 49 13.117 -3.303 2.118 1.00 0.00 H new ATOM 0 HA LEU A 49 14.393 -0.653 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.530 -1.507 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.071 0.082 2.718 1.00 0.00 H new ATOM 0 HG LEU A 49 12.096 -1.028 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.479 0.777 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.886 -0.359 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.529 1.228 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.903 1.194 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.049 1.662 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.071 0.362 0.267 1.00 0.00 H new ATOM 723 N GLY A 50 13.476 -2.279 4.469 1.00 0.00 N ATOM 724 CA GLY A 50 13.709 -2.355 5.900 1.00 0.00 C ATOM 725 C GLY A 50 12.758 -3.309 6.596 1.00 0.00 C ATOM 726 O GLY A 50 13.155 -4.036 7.507 1.00 0.00 O ATOM 0 H GLY A 50 12.927 -3.046 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.735 -2.675 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.603 -1.361 6.335 1.00 0.00 H new ATOM 730 N GLN A 51 11.499 -3.307 6.169 1.00 0.00 N ATOM 731 CA GLN A 51 10.491 -4.179 6.762 1.00 0.00 C ATOM 732 C GLN A 51 10.783 -5.641 6.437 1.00 0.00 C ATOM 733 O GLN A 51 11.517 -5.945 5.498 1.00 0.00 O ATOM 734 CB GLN A 51 9.097 -3.797 6.260 1.00 0.00 C ATOM 735 CG GLN A 51 8.051 -3.737 7.360 1.00 0.00 C ATOM 736 CD GLN A 51 7.797 -2.324 7.848 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.557 -1.404 7.544 1.00 0.00 O ATOM 738 NE2 GLN A 51 6.724 -2.144 8.609 1.00 0.00 N ATOM 0 H GLN A 51 11.153 -2.712 5.416 1.00 0.00 H new ATOM 0 HA GLN A 51 10.524 -4.053 7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.151 -2.826 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.780 -4.519 5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.118 -4.163 6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.375 -4.354 8.198 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.121 -2.935 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.502 -1.215 8.966 1.00 0.00 H new ATOM 747 N ASN A 52 10.206 -6.545 7.222 1.00 0.00 N ATOM 748 CA ASN A 52 10.411 -7.973 7.012 1.00 0.00 C ATOM 749 C ASN A 52 9.143 -8.766 7.324 1.00 0.00 C ATOM 750 O ASN A 52 9.180 -9.740 8.078 1.00 0.00 O ATOM 751 CB ASN A 52 11.566 -8.471 7.880 1.00 0.00 C ATOM 752 CG ASN A 52 12.056 -9.842 7.459 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.742 -9.986 6.447 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.705 -10.860 8.236 1.00 0.00 N ATOM 0 H ASN A 52 9.595 -6.315 8.006 1.00 0.00 H new ATOM 0 HA ASN A 52 10.657 -8.127 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.391 -7.761 7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.245 -8.507 8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.005 -11.807 8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.135 -10.695 9.066 1.00 0.00 H new ATOM 761 N PRO A 53 8.000 -8.363 6.744 1.00 0.00 N ATOM 762 CA PRO A 53 6.724 -9.046 6.964 1.00 0.00 C ATOM 763 C PRO A 53 6.653 -10.382 6.232 1.00 0.00 C ATOM 764 O PRO A 53 6.549 -10.424 5.006 1.00 0.00 O ATOM 765 CB PRO A 53 5.699 -8.066 6.393 1.00 0.00 C ATOM 766 CG PRO A 53 6.442 -7.310 5.348 1.00 0.00 C ATOM 767 CD PRO A 53 7.866 -7.214 5.828 1.00 0.00 C ATOM 0 HA PRO A 53 6.562 -9.288 8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.843 -8.591 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.314 -7.400 7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.389 -7.821 4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.012 -6.319 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.573 -7.276 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.054 -6.270 6.339 1.00 0.00 H new ATOM 775 N THR A 54 6.713 -11.472 6.992 1.00 0.00 N ATOM 776 CA THR A 54 6.659 -12.811 6.415 1.00 0.00 C ATOM 777 C THR A 54 5.405 -12.992 5.565 1.00 0.00 C ATOM 778 O THR A 54 4.622 -12.060 5.389 1.00 0.00 O ATOM 779 CB THR A 54 6.694 -13.866 7.522 1.00 0.00 C ATOM 780 OG1 THR A 54 6.133 -13.357 8.719 1.00 0.00 O ATOM 781 CG2 THR A 54 8.092 -14.354 7.839 1.00 0.00 C ATOM 0 H THR A 54 6.799 -11.454 8.008 1.00 0.00 H new ATOM 0 HA THR A 54 7.530 -12.936 5.772 1.00 0.00 H new ATOM 0 HB THR A 54 6.112 -14.705 7.140 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.306 -13.841 8.924 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.046 -15.100 8.632 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.533 -14.799 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.705 -13.514 8.166 1.00 0.00 H new ATOM 789 N LYS A 55 5.223 -14.199 5.038 1.00 0.00 N ATOM 790 CA LYS A 55 4.065 -14.505 4.205 1.00 0.00 C ATOM 791 C LYS A 55 2.767 -14.237 4.960 1.00 0.00 C ATOM 792 O LYS A 55 1.912 -13.484 4.496 1.00 0.00 O ATOM 793 CB LYS A 55 4.111 -15.964 3.747 1.00 0.00 C ATOM 794 CG LYS A 55 3.632 -16.168 2.318 1.00 0.00 C ATOM 795 CD LYS A 55 2.646 -17.321 2.218 1.00 0.00 C ATOM 796 CE LYS A 55 1.233 -16.878 2.562 1.00 0.00 C ATOM 797 NZ LYS A 55 0.215 -17.570 1.726 1.00 0.00 N ATOM 0 H LYS A 55 5.863 -14.982 5.173 1.00 0.00 H new ATOM 0 HA LYS A 55 4.096 -13.856 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.133 -16.332 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.497 -16.566 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.161 -15.253 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.487 -16.363 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.664 -17.730 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.951 -18.122 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.036 -17.079 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.146 -15.801 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.735 -17.240 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.387 -17.358 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.280 -18.597 1.879 1.00 0.00 H new ATOM 811 N CYS A 56 2.629 -14.857 6.127 1.00 0.00 N ATOM 812 CA CYS A 56 1.435 -14.685 6.948 1.00 0.00 C ATOM 813 C CYS A 56 1.236 -13.219 7.315 1.00 0.00 C ATOM 814 O CYS A 56 0.106 -12.753 7.465 1.00 0.00 O ATOM 815 CB CYS A 56 1.537 -15.531 8.218 1.00 0.00 C ATOM 816 SG CYS A 56 3.096 -15.334 9.113 1.00 0.00 S ATOM 0 H CYS A 56 3.329 -15.483 6.526 1.00 0.00 H new ATOM 0 HA CYS A 56 0.574 -15.017 6.368 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.713 -15.270 8.883 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.413 -16.581 7.953 1.00 0.00 H new ATOM 0 HG CYS A 56 3.086 -16.087 10.172 1.00 0.00 H new ATOM 822 N GLU A 57 2.341 -12.494 7.455 1.00 0.00 N ATOM 823 CA GLU A 57 2.289 -11.079 7.802 1.00 0.00 C ATOM 824 C GLU A 57 1.529 -10.289 6.742 1.00 0.00 C ATOM 825 O GLU A 57 0.496 -9.685 7.025 1.00 0.00 O ATOM 826 CB GLU A 57 3.705 -10.521 7.961 1.00 0.00 C ATOM 827 CG GLU A 57 3.906 -9.732 9.244 1.00 0.00 C ATOM 828 CD GLU A 57 3.249 -8.366 9.199 1.00 0.00 C ATOM 829 OE1 GLU A 57 2.125 -8.266 8.663 1.00 0.00 O ATOM 830 OE2 GLU A 57 3.857 -7.397 9.700 1.00 0.00 O ATOM 0 H GLU A 57 3.284 -12.864 7.333 1.00 0.00 H new ATOM 0 HA GLU A 57 1.760 -10.979 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.417 -11.346 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.931 -9.879 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.500 -10.299 10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.974 -9.611 9.428 1.00 0.00 H new ATOM 837 N LEU A 58 2.047 -10.301 5.517 1.00 0.00 N ATOM 838 CA LEU A 58 1.415 -9.588 4.413 1.00 0.00 C ATOM 839 C LEU A 58 0.076 -10.228 4.057 1.00 0.00 C ATOM 840 O LEU A 58 -0.862 -9.544 3.650 1.00 0.00 O ATOM 841 CB LEU A 58 2.333 -9.578 3.188 1.00 0.00 C ATOM 842 CG LEU A 58 3.779 -9.160 3.462 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.707 -9.723 2.398 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.893 -7.643 3.524 1.00 0.00 C ATOM 0 H LEU A 58 2.902 -10.796 5.265 1.00 0.00 H new ATOM 0 HA LEU A 58 1.237 -8.560 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.337 -10.575 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.911 -8.903 2.443 1.00 0.00 H new ATOM 0 HG LEU A 58 4.078 -9.566 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.731 -9.416 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.647 -10.811 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.409 -9.346 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.928 -7.364 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.575 -7.215 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.257 -7.263 4.324 1.00 0.00 H new ATOM 856 N ASP A 59 -0.005 -11.545 4.222 1.00 0.00 N ATOM 857 CA ASP A 59 -1.230 -12.279 3.924 1.00 0.00 C ATOM 858 C ASP A 59 -2.351 -11.862 4.863 1.00 0.00 C ATOM 859 O ASP A 59 -3.528 -11.938 4.510 1.00 0.00 O ATOM 860 CB ASP A 59 -0.990 -13.786 4.032 1.00 0.00 C ATOM 861 CG ASP A 59 -2.087 -14.593 3.366 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.154 -14.589 2.119 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.879 -15.230 4.092 1.00 0.00 O ATOM 0 H ASP A 59 0.763 -12.125 4.560 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.527 -12.041 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.032 -14.033 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.923 -14.066 5.083 1.00 0.00 H new ATOM 868 N ALA A 60 -1.983 -11.417 6.057 1.00 0.00 N ATOM 869 CA ALA A 60 -2.969 -10.984 7.033 1.00 0.00 C ATOM 870 C ALA A 60 -3.554 -9.632 6.645 1.00 0.00 C ATOM 871 O ALA A 60 -4.716 -9.340 6.927 1.00 0.00 O ATOM 872 CB ALA A 60 -2.353 -10.926 8.424 1.00 0.00 C ATOM 0 H ALA A 60 -1.015 -11.347 6.370 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.780 -11.712 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.106 -10.600 9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.990 -11.915 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.522 -10.221 8.425 1.00 0.00 H new ATOM 878 N ILE A 61 -2.740 -8.813 5.985 1.00 0.00 N ATOM 879 CA ILE A 61 -3.172 -7.498 5.544 1.00 0.00 C ATOM 880 C ILE A 61 -3.979 -7.610 4.252 1.00 0.00 C ATOM 881 O ILE A 61 -5.149 -7.230 4.205 1.00 0.00 O ATOM 882 CB ILE A 61 -1.959 -6.563 5.331 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.428 -6.070 6.679 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.323 -5.384 4.443 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.504 -7.055 7.360 1.00 0.00 C ATOM 0 H ILE A 61 -1.775 -9.041 5.745 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.805 -7.070 6.322 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.177 -7.133 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.897 -5.130 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.271 -5.859 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.450 -4.744 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.655 -5.749 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.125 -4.812 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.166 -6.640 8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.037 -7.988 7.541 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.358 -7.247 6.721 1.00 0.00 H new ATOM 897 N ILE A 62 -3.346 -8.145 3.209 1.00 0.00 N ATOM 898 CA ILE A 62 -4.003 -8.319 1.915 1.00 0.00 C ATOM 899 C ILE A 62 -5.400 -8.913 2.080 1.00 0.00 C ATOM 900 O ILE A 62 -6.341 -8.515 1.393 1.00 0.00 O ATOM 901 CB ILE A 62 -3.170 -9.225 0.986 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.804 -8.588 0.722 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.910 -9.474 -0.323 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.956 -9.355 -0.267 1.00 0.00 C ATOM 0 H ILE A 62 -2.378 -8.466 3.235 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.089 -7.330 1.464 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.018 -10.186 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.952 -7.574 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.263 -8.507 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.307 -10.115 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.863 -9.961 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.091 -8.524 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.003 -8.843 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.776 -10.361 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.476 -9.414 -1.223 1.00 0.00 H new ATOM 916 N CYS A 63 -5.527 -9.866 2.999 1.00 0.00 N ATOM 917 CA CYS A 63 -6.809 -10.509 3.258 1.00 0.00 C ATOM 918 C CYS A 63 -7.824 -9.496 3.771 1.00 0.00 C ATOM 919 O CYS A 63 -8.994 -9.524 3.389 1.00 0.00 O ATOM 920 CB CYS A 63 -6.639 -11.642 4.272 1.00 0.00 C ATOM 921 SG CYS A 63 -7.984 -12.851 4.257 1.00 0.00 S ATOM 0 H CYS A 63 -4.758 -10.209 3.575 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.179 -10.926 2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.699 -12.157 4.072 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.561 -11.213 5.271 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.751 -13.771 5.146 1.00 0.00 H new ATOM 927 N GLU A 64 -7.367 -8.597 4.637 1.00 0.00 N ATOM 928 CA GLU A 64 -8.234 -7.568 5.199 1.00 0.00 C ATOM 929 C GLU A 64 -8.520 -6.486 4.164 1.00 0.00 C ATOM 930 O GLU A 64 -9.634 -5.968 4.085 1.00 0.00 O ATOM 931 CB GLU A 64 -7.589 -6.949 6.442 1.00 0.00 C ATOM 932 CG GLU A 64 -8.570 -6.699 7.575 1.00 0.00 C ATOM 933 CD GLU A 64 -9.120 -5.287 7.570 1.00 0.00 C ATOM 934 OE1 GLU A 64 -8.419 -4.374 8.055 1.00 0.00 O ATOM 935 OE2 GLU A 64 -10.253 -5.092 7.079 1.00 0.00 O ATOM 0 H GLU A 64 -6.402 -8.560 4.965 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.177 -8.033 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.797 -7.609 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.118 -6.006 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.396 -7.407 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.075 -6.889 8.527 1.00 0.00 H new ATOM 942 N VAL A 65 -7.509 -6.156 3.368 1.00 0.00 N ATOM 943 CA VAL A 65 -7.652 -5.142 2.332 1.00 0.00 C ATOM 944 C VAL A 65 -8.624 -5.605 1.252 1.00 0.00 C ATOM 945 O VAL A 65 -9.663 -4.983 1.027 1.00 0.00 O ATOM 946 CB VAL A 65 -6.295 -4.809 1.676 1.00 0.00 C ATOM 947 CG1 VAL A 65 -6.457 -3.720 0.626 1.00 0.00 C ATOM 948 CG2 VAL A 65 -5.276 -4.397 2.730 1.00 0.00 C ATOM 0 H VAL A 65 -6.581 -6.577 3.421 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.041 -4.245 2.815 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.927 -5.706 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.488 -3.501 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.147 -4.059 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.852 -2.818 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.326 -4.166 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.637 -3.516 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.134 -5.214 3.438 1.00 0.00 H new ATOM 958 N ASP A 66 -8.277 -6.701 0.584 1.00 0.00 N ATOM 959 CA ASP A 66 -9.113 -7.251 -0.476 1.00 0.00 C ATOM 960 C ASP A 66 -10.513 -7.566 0.039 1.00 0.00 C ATOM 961 O ASP A 66 -10.769 -8.660 0.543 1.00 0.00 O ATOM 962 CB ASP A 66 -8.472 -8.515 -1.051 1.00 0.00 C ATOM 963 CG ASP A 66 -7.254 -8.208 -1.899 1.00 0.00 C ATOM 964 OD1 ASP A 66 -7.347 -7.320 -2.773 1.00 0.00 O ATOM 965 OD2 ASP A 66 -6.206 -8.854 -1.689 1.00 0.00 O ATOM 0 H ASP A 66 -7.420 -7.226 0.759 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.198 -6.502 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.186 -9.178 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.206 -9.050 -1.654 1.00 0.00 H new ATOM 970 N GLU A 67 -11.418 -6.601 -0.094 1.00 0.00 N ATOM 971 CA GLU A 67 -12.793 -6.776 0.354 1.00 0.00 C ATOM 972 C GLU A 67 -13.525 -7.790 -0.519 1.00 0.00 C ATOM 973 O GLU A 67 -14.431 -8.483 -0.057 1.00 0.00 O ATOM 974 CB GLU A 67 -13.534 -5.438 0.331 1.00 0.00 C ATOM 975 CG GLU A 67 -13.574 -4.788 -1.043 1.00 0.00 C ATOM 976 CD GLU A 67 -14.924 -4.936 -1.717 1.00 0.00 C ATOM 977 OE1 GLU A 67 -15.952 -4.731 -1.038 1.00 0.00 O ATOM 978 OE2 GLU A 67 -14.954 -5.253 -2.924 1.00 0.00 O ATOM 0 H GLU A 67 -11.222 -5.690 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.770 -7.153 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.555 -5.591 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.056 -4.755 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.334 -3.729 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.806 -5.234 -1.675 1.00 0.00 H new ATOM 985 N ASP A 68 -13.124 -7.871 -1.784 1.00 0.00 N ATOM 986 CA ASP A 68 -13.741 -8.801 -2.723 1.00 0.00 C ATOM 987 C ASP A 68 -13.140 -10.196 -2.585 1.00 0.00 C ATOM 988 O ASP A 68 -13.802 -11.197 -2.862 1.00 0.00 O ATOM 989 CB ASP A 68 -13.570 -8.297 -4.157 1.00 0.00 C ATOM 990 CG ASP A 68 -12.112 -8.121 -4.540 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.471 -7.183 -4.022 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.613 -8.923 -5.357 1.00 0.00 O ATOM 0 H ASP A 68 -12.375 -7.304 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.804 -8.861 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.041 -9.000 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.089 -7.345 -4.269 1.00 0.00 H new ATOM 997 N GLY A 69 -11.883 -10.258 -2.156 1.00 0.00 N ATOM 998 CA GLY A 69 -11.217 -11.537 -1.990 1.00 0.00 C ATOM 999 C GLY A 69 -10.508 -11.990 -3.250 1.00 0.00 C ATOM 1000 O GLY A 69 -10.796 -13.063 -3.781 1.00 0.00 O ATOM 0 H GLY A 69 -11.314 -9.445 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.495 -11.464 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.950 -12.289 -1.699 1.00 0.00 H new ATOM 1004 N SER A 70 -9.582 -11.169 -3.733 1.00 0.00 N ATOM 1005 CA SER A 70 -8.830 -11.488 -4.942 1.00 0.00 C ATOM 1006 C SER A 70 -7.347 -11.665 -4.638 1.00 0.00 C ATOM 1007 O SER A 70 -6.652 -12.424 -5.314 1.00 0.00 O ATOM 1008 CB SER A 70 -9.011 -10.385 -5.986 1.00 0.00 C ATOM 1009 OG SER A 70 -9.109 -9.111 -5.372 1.00 0.00 O ATOM 0 H SER A 70 -9.334 -10.277 -3.306 1.00 0.00 H new ATOM 0 HA SER A 70 -9.217 -12.428 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.169 -10.394 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.909 -10.579 -6.573 1.00 0.00 H new ATOM 0 HG SER A 70 -9.994 -8.729 -5.550 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.864 -10.954 -3.624 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.463 -11.041 -3.262 1.00 0.00 C ATOM 1017 C GLY A 71 -4.612 -10.024 -4.000 1.00 0.00 C ATOM 1018 O GLY A 71 -3.429 -9.862 -3.701 1.00 0.00 O ATOM 0 H GLY A 71 -7.418 -10.320 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.358 -10.888 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.096 -12.044 -3.479 1.00 0.00 H new ATOM 1022 N THR A 72 -5.214 -9.336 -4.968 1.00 0.00 N ATOM 1023 CA THR A 72 -4.503 -8.331 -5.749 1.00 0.00 C ATOM 1024 C THR A 72 -4.905 -6.925 -5.318 1.00 0.00 C ATOM 1025 O THR A 72 -6.091 -6.600 -5.250 1.00 0.00 O ATOM 1026 CB THR A 72 -4.787 -8.521 -7.239 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.180 -8.486 -7.492 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.253 -9.824 -7.789 1.00 0.00 C ATOM 0 H THR A 72 -6.193 -9.457 -5.229 1.00 0.00 H new ATOM 0 HA THR A 72 -3.435 -8.455 -5.571 1.00 0.00 H new ATOM 0 HB THR A 72 -4.274 -7.699 -7.738 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.598 -7.805 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.489 -9.895 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.172 -9.860 -7.654 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.713 -10.658 -7.259 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.910 -6.094 -5.024 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.159 -4.723 -4.596 1.00 0.00 C ATOM 1038 C ILE A 73 -4.198 -3.770 -5.789 1.00 0.00 C ATOM 1039 O ILE A 73 -3.168 -3.472 -6.393 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.082 -4.244 -3.605 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.921 -5.254 -2.466 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.439 -2.871 -3.055 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.595 -5.144 -1.744 1.00 0.00 C ATOM 0 H ILE A 73 -2.923 -6.347 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.130 -4.717 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.132 -4.166 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.729 -5.112 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.024 -6.262 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.668 -2.547 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.508 -2.157 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.397 -2.924 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.550 -5.889 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.782 -5.315 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.497 -4.148 -1.312 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.395 -3.296 -6.121 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.574 -2.378 -7.240 1.00 0.00 C ATOM 1057 C ASP A 74 -4.736 -1.115 -7.054 1.00 0.00 C ATOM 1058 O ASP A 74 -3.844 -1.070 -6.207 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.053 -2.006 -7.387 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.491 -1.946 -8.837 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.903 -2.994 -9.377 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -7.422 -0.850 -9.433 1.00 0.00 O ATOM 0 H ASP A 74 -6.257 -3.533 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.238 -2.881 -8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.663 -2.736 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.230 -1.039 -6.916 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.027 -0.093 -7.855 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.299 1.170 -7.781 1.00 0.00 C ATOM 1069 C PHE A 75 -4.539 1.865 -6.443 1.00 0.00 C ATOM 1070 O PHE A 75 -3.706 1.795 -5.539 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.716 2.090 -8.931 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.953 1.845 -10.203 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -4.099 0.655 -10.896 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.091 2.808 -10.703 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -3.399 0.429 -12.066 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.387 2.586 -11.873 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.542 1.395 -12.555 1.00 0.00 C ATOM 0 H PHE A 75 -5.762 -0.115 -8.562 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.235 0.951 -7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.781 1.957 -9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.574 3.127 -8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.767 -0.105 -10.518 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.968 3.741 -10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.522 -0.503 -12.598 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.717 3.343 -12.253 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.994 1.220 -13.469 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.682 2.536 -6.322 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.026 3.243 -5.094 1.00 0.00 C ATOM 1089 C GLU A 76 -6.122 2.281 -3.914 1.00 0.00 C ATOM 1090 O GLU A 76 -5.992 2.687 -2.759 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.350 3.991 -5.259 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.435 4.810 -6.536 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.343 6.301 -6.281 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -8.217 6.837 -5.567 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -6.396 6.934 -6.793 1.00 0.00 O ATOM 0 H GLU A 76 -6.384 2.604 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.232 3.961 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.168 3.271 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.493 4.652 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.632 4.510 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.375 4.589 -7.043 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.356 1.005 -4.209 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.473 -0.009 -3.166 1.00 0.00 C ATOM 1104 C GLU A 77 -5.266 0.022 -2.233 1.00 0.00 C ATOM 1105 O GLU A 77 -5.381 -0.301 -1.052 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.627 -1.399 -3.788 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.057 -1.915 -3.765 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.153 -3.386 -4.121 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.563 -4.212 -3.395 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.822 -3.711 -5.125 1.00 0.00 O ATOM 0 H GLU A 77 -6.468 0.650 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.363 0.214 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.276 -1.368 -4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.986 -2.101 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.480 -1.757 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.659 -1.336 -4.465 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.114 0.425 -2.763 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.896 0.507 -1.962 1.00 0.00 C ATOM 1119 C PHE A 78 -3.015 1.605 -0.907 1.00 0.00 C ATOM 1120 O PHE A 78 -2.228 1.658 0.037 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.677 0.764 -2.848 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.382 0.378 -2.194 1.00 0.00 C ATOM 1123 CD1 PHE A 78 -0.164 -0.927 -1.783 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.612 1.319 -1.982 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.023 -1.287 -1.174 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.801 0.964 -1.371 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.006 -0.340 -0.967 1.00 0.00 C ATOM 0 H PHE A 78 -3.998 0.699 -3.739 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.764 -0.450 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.788 0.207 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.643 1.821 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.931 -1.671 -1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.457 2.340 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.182 -2.308 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.569 1.707 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.934 -0.619 -0.490 1.00 0.00 H new ATOM 1137 N LEU A 79 -4.009 2.477 -1.067 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.231 3.563 -0.122 1.00 0.00 C ATOM 1139 C LEU A 79 -5.227 3.143 0.954 1.00 0.00 C ATOM 1140 O LEU A 79 -5.048 3.451 2.132 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.740 4.809 -0.850 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.708 5.502 -1.746 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.167 5.498 -3.197 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.455 6.926 -1.272 1.00 0.00 C ATOM 0 H LEU A 79 -4.671 2.450 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.280 3.799 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.599 4.530 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.095 5.525 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.773 4.946 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.420 5.995 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.294 4.470 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.117 6.027 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.719 7.400 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.386 7.491 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.078 6.908 -0.249 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.276 2.434 0.543 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.296 1.970 1.478 1.00 0.00 C ATOM 1158 C VAL A 80 -6.739 0.890 2.398 1.00 0.00 C ATOM 1159 O VAL A 80 -7.062 0.842 3.585 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.541 1.432 0.741 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.270 0.067 0.120 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.730 1.370 1.688 1.00 0.00 C ATOM 0 H VAL A 80 -6.441 2.169 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.596 2.830 2.077 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.779 2.121 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.166 -0.284 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.452 0.149 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.998 -0.641 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.601 0.989 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.497 0.708 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.946 2.369 2.067 1.00 0.00 H new ATOM 1172 N MET A 81 -5.888 0.034 1.843 1.00 0.00 N ATOM 1173 CA MET A 81 -5.263 -1.038 2.608 1.00 0.00 C ATOM 1174 C MET A 81 -4.676 -0.490 3.894 1.00 0.00 C ATOM 1175 O MET A 81 -4.770 -1.100 4.959 1.00 0.00 O ATOM 1176 CB MET A 81 -4.143 -1.671 1.788 1.00 0.00 C ATOM 1177 CG MET A 81 -3.263 -0.652 1.083 1.00 0.00 C ATOM 1178 SD MET A 81 -1.528 -1.128 1.068 1.00 0.00 S ATOM 1179 CE MET A 81 -1.225 -1.241 2.825 1.00 0.00 C ATOM 0 H MET A 81 -5.614 0.063 0.861 1.00 0.00 H new ATOM 0 HA MET A 81 -6.022 -1.785 2.842 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.524 -2.283 2.444 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.579 -2.339 1.046 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.610 -0.526 0.057 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.366 0.315 1.576 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.290 -0.735 3.066 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.044 -0.768 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.156 -2.289 3.116 1.00 0.00 H new ATOM 1189 N MET A 82 -4.061 0.669 3.760 1.00 0.00 N ATOM 1190 CA MET A 82 -3.427 1.353 4.864 1.00 0.00 C ATOM 1191 C MET A 82 -4.470 2.006 5.767 1.00 0.00 C ATOM 1192 O MET A 82 -4.270 2.132 6.975 1.00 0.00 O ATOM 1193 CB MET A 82 -2.473 2.399 4.301 1.00 0.00 C ATOM 1194 CG MET A 82 -1.139 1.829 3.855 1.00 0.00 C ATOM 1195 SD MET A 82 0.124 3.097 3.658 1.00 0.00 S ATOM 1196 CE MET A 82 0.819 3.114 5.305 1.00 0.00 C ATOM 0 H MET A 82 -3.988 1.165 2.872 1.00 0.00 H new ATOM 0 HA MET A 82 -2.873 0.636 5.470 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.949 2.893 3.454 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.297 3.163 5.058 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.800 1.094 4.585 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.271 1.303 2.910 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.225 4.103 5.519 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.041 2.876 6.031 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.616 2.373 5.371 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.587 2.409 5.171 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.668 3.039 5.917 1.00 0.00 C ATOM 1208 C VAL A 83 -7.350 2.028 6.835 1.00 0.00 C ATOM 1209 O VAL A 83 -7.839 2.378 7.909 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.719 3.653 4.970 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.812 4.359 5.758 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -7.060 4.614 3.990 1.00 0.00 C ATOM 0 H VAL A 83 -5.767 2.310 4.172 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.227 3.835 6.517 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.179 2.844 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.541 4.784 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.307 3.644 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.372 5.156 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.817 5.037 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.570 5.416 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.320 4.077 3.396 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.373 0.770 6.404 1.00 0.00 N ATOM 1223 CA ARG A 84 -7.993 -0.296 7.183 1.00 0.00 C ATOM 1224 C ARG A 84 -7.173 -0.615 8.431 1.00 0.00 C ATOM 1225 O ARG A 84 -7.696 -1.161 9.404 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.147 -1.556 6.329 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.025 -1.355 5.103 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.177 -2.347 5.072 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.389 -1.798 5.674 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.070 -0.773 5.166 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -11.663 -0.186 4.047 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.161 -0.334 5.778 1.00 0.00 N ATOM 0 H ARG A 84 -6.969 0.464 5.519 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.978 0.049 7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.160 -1.891 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.570 -2.352 6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.419 -0.339 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.423 -1.467 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.382 -2.632 4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.888 -3.255 5.602 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.734 -2.225 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.825 -0.520 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.189 0.599 3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.478 -0.782 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.683 0.451 5.389 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.887 -0.274 8.401 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.003 -0.526 9.535 1.00 0.00 C ATOM 1248 C GLN A 85 -4.687 0.768 10.277 1.00 0.00 C ATOM 1249 O GLN A 85 -4.283 0.743 11.441 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.700 -1.187 9.069 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.867 -2.113 7.872 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.024 -3.080 8.036 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.604 -3.196 9.116 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.366 -3.781 6.961 1.00 0.00 N ATOM 0 H GLN A 85 -5.435 0.177 7.605 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.520 -1.202 10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.981 -0.408 8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.276 -1.754 9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.023 -1.515 6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.946 -2.677 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.858 -3.653 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.137 -4.447 7.011 1.00 0.00 H new ATOM 1263 N MET A 86 -4.869 1.895 9.599 1.00 0.00 N ATOM 1264 CA MET A 86 -4.600 3.197 10.195 1.00 0.00 C ATOM 1265 C MET A 86 -5.706 3.590 11.168 1.00 0.00 C ATOM 1266 O MET A 86 -5.439 4.137 12.238 1.00 0.00 O ATOM 1267 CB MET A 86 -4.458 4.255 9.100 1.00 0.00 C ATOM 1268 CG MET A 86 -3.018 4.487 8.669 1.00 0.00 C ATOM 1269 SD MET A 86 -2.823 5.980 7.679 1.00 0.00 S ATOM 1270 CE MET A 86 -2.223 5.292 6.137 1.00 0.00 C ATOM 0 H MET A 86 -5.202 1.933 8.636 1.00 0.00 H new ATOM 0 HA MET A 86 -3.665 3.133 10.752 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.045 3.951 8.233 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.879 5.195 9.456 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.385 4.557 9.553 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.671 3.627 8.096 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.822 6.091 5.514 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.438 4.565 6.344 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.044 4.801 5.614 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.948 3.305 10.792 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.094 3.626 11.636 1.00 0.00 C ATOM 1282 C LYS A 87 -8.129 2.724 12.867 1.00 0.00 C ATOM 1283 O LYS A 87 -9.031 1.901 13.021 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.395 3.484 10.845 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.810 4.757 10.124 1.00 0.00 C ATOM 1286 CD LYS A 87 -10.028 4.513 8.640 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.124 3.485 8.398 1.00 0.00 C ATOM 1288 NZ LYS A 87 -12.480 4.056 8.626 1.00 0.00 N ATOM 0 H LYS A 87 -7.187 2.853 9.909 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.993 4.660 11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.281 2.683 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.193 3.184 11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.727 5.145 10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.043 5.519 10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.293 5.451 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.098 4.169 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.054 3.113 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.974 2.631 9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.199 3.325 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.556 4.388 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.634 4.855 7.978 1.00 0.00 H new ATOM 1384 N SER B 117 1.682 2.350 10.614 1.00 0.00 N ATOM 1385 CA SER B 117 2.684 3.319 10.189 1.00 0.00 C ATOM 1386 C SER B 117 3.575 2.741 9.095 1.00 0.00 C ATOM 1387 O SER B 117 4.791 2.637 9.259 1.00 0.00 O ATOM 1388 CB SER B 117 3.533 3.766 11.379 1.00 0.00 C ATOM 1389 OG SER B 117 4.488 2.776 11.726 1.00 0.00 O ATOM 0 HA SER B 117 2.163 4.186 9.782 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.043 4.698 11.136 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.888 3.969 12.234 1.00 0.00 H new ATOM 0 HG SER B 117 5.129 2.668 10.992 1.00 0.00 H new ATOM 1395 N ALA B 118 2.962 2.377 7.974 1.00 0.00 N ATOM 1396 CA ALA B 118 3.698 1.821 6.847 1.00 0.00 C ATOM 1397 C ALA B 118 4.339 2.929 6.014 1.00 0.00 C ATOM 1398 O ALA B 118 5.016 2.659 5.021 1.00 0.00 O ATOM 1399 CB ALA B 118 2.779 0.968 5.987 1.00 0.00 C ATOM 0 H ALA B 118 1.957 2.457 7.823 1.00 0.00 H new ATOM 0 HA ALA B 118 4.496 1.189 7.237 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.342 0.559 5.148 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.375 0.152 6.586 1.00 0.00 H new ATOM 0 HB3 ALA B 118 1.961 1.581 5.610 1.00 0.00 H new ATOM 1405 N ASP B 119 4.127 4.180 6.426 1.00 0.00 N ATOM 1406 CA ASP B 119 4.684 5.329 5.723 1.00 0.00 C ATOM 1407 C ASP B 119 6.173 5.139 5.449 1.00 0.00 C ATOM 1408 O ASP B 119 6.714 5.702 4.499 1.00 0.00 O ATOM 1409 CB ASP B 119 4.463 6.605 6.538 1.00 0.00 C ATOM 1410 CG ASP B 119 4.625 7.860 5.702 1.00 0.00 C ATOM 1411 OD1 ASP B 119 3.884 8.012 4.709 1.00 0.00 O ATOM 1412 OD2 ASP B 119 5.494 8.691 6.042 1.00 0.00 O ATOM 0 H ASP B 119 3.571 4.420 7.247 1.00 0.00 H new ATOM 0 HA ASP B 119 4.169 5.419 4.766 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.463 6.587 6.972 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.170 6.630 7.367 1.00 0.00 H new ATOM 1417 N ALA B 120 6.832 4.341 6.287 1.00 0.00 N ATOM 1418 CA ALA B 120 8.258 4.080 6.126 1.00 0.00 C ATOM 1419 C ALA B 120 8.568 3.582 4.721 1.00 0.00 C ATOM 1420 O ALA B 120 9.182 4.291 3.924 1.00 0.00 O ATOM 1421 CB ALA B 120 8.732 3.074 7.165 1.00 0.00 C ATOM 0 H ALA B 120 6.402 3.866 7.081 1.00 0.00 H new ATOM 0 HA ALA B 120 8.794 5.017 6.276 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.798 2.889 7.033 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.554 3.472 8.164 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.184 2.140 7.043 1.00 0.00 H new ATOM 1427 N MET B 121 8.131 2.363 4.413 1.00 0.00 N ATOM 1428 CA MET B 121 8.357 1.788 3.091 1.00 0.00 C ATOM 1429 C MET B 121 7.840 2.731 2.012 1.00 0.00 C ATOM 1430 O MET B 121 8.393 2.803 0.914 1.00 0.00 O ATOM 1431 CB MET B 121 7.667 0.426 2.973 1.00 0.00 C ATOM 1432 CG MET B 121 7.748 -0.184 1.580 1.00 0.00 C ATOM 1433 SD MET B 121 6.181 -0.891 1.036 1.00 0.00 S ATOM 1434 CE MET B 121 5.086 0.506 1.267 1.00 0.00 C ATOM 0 H MET B 121 7.621 1.758 5.057 1.00 0.00 H new ATOM 0 HA MET B 121 9.429 1.648 2.954 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.117 -0.262 3.688 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.619 0.534 3.252 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.062 0.582 0.871 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.514 -0.960 1.572 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.230 0.411 0.599 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.740 0.530 2.300 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.621 1.429 1.042 1.00 0.00 H new ATOM 1444 N LEU B 122 6.778 3.458 2.339 1.00 0.00 N ATOM 1445 CA LEU B 122 6.186 4.404 1.408 1.00 0.00 C ATOM 1446 C LEU B 122 7.137 5.571 1.164 1.00 0.00 C ATOM 1447 O LEU B 122 7.264 6.058 0.042 1.00 0.00 O ATOM 1448 CB LEU B 122 4.846 4.913 1.947 1.00 0.00 C ATOM 1449 CG LEU B 122 3.650 3.987 1.706 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.705 2.780 2.631 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.343 4.744 1.898 1.00 0.00 C ATOM 0 H LEU B 122 6.310 3.408 3.244 1.00 0.00 H new ATOM 0 HA LEU B 122 6.009 3.896 0.460 1.00 0.00 H new ATOM 0 HB2 LEU B 122 4.944 5.081 3.020 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.633 5.880 1.491 1.00 0.00 H new ATOM 0 HG LEU B 122 3.698 3.631 0.677 1.00 0.00 H new ATOM 0 HD11 LEU B 122 2.846 2.137 2.442 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.623 2.222 2.447 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.686 3.115 3.668 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.504 4.071 1.723 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.292 5.130 2.916 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.296 5.574 1.193 1.00 0.00 H new ATOM 1463 N ARG B 123 7.807 6.014 2.226 1.00 0.00 N ATOM 1464 CA ARG B 123 8.754 7.120 2.126 1.00 0.00 C ATOM 1465 C ARG B 123 10.162 6.611 1.816 1.00 0.00 C ATOM 1466 O ARG B 123 11.132 7.365 1.889 1.00 0.00 O ATOM 1467 CB ARG B 123 8.766 7.926 3.427 1.00 0.00 C ATOM 1468 CG ARG B 123 9.251 9.355 3.252 1.00 0.00 C ATOM 1469 CD ARG B 123 9.008 10.184 4.503 1.00 0.00 C ATOM 1470 NE ARG B 123 9.517 9.525 5.705 1.00 0.00 N ATOM 1471 CZ ARG B 123 10.798 9.522 6.062 1.00 0.00 C ATOM 1472 NH1 ARG B 123 11.705 10.139 5.314 1.00 0.00 N ATOM 1473 NH2 ARG B 123 11.176 8.898 7.169 1.00 0.00 N ATOM 0 H ARG B 123 7.711 5.624 3.164 1.00 0.00 H new ATOM 0 HA ARG B 123 8.434 7.765 1.308 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.759 7.941 3.845 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.404 7.421 4.152 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.315 9.353 3.017 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.739 9.813 2.406 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.488 11.156 4.392 1.00 0.00 H new ATOM 0 HD3 ARG B 123 7.939 10.367 4.615 1.00 0.00 H new ATOM 0 HE ARG B 123 8.850 9.039 6.305 1.00 0.00 H new ATOM 0 HH11 ARG B 123 11.421 10.619 4.460 1.00 0.00 H new ATOM 0 HH12 ARG B 123 12.686 10.133 5.593 1.00 0.00 H new ATOM 0 HH21 ARG B 123 10.484 8.420 7.747 1.00 0.00 H new ATOM 0 HH22 ARG B 123 12.159 8.896 7.443 1.00 0.00 H new ATOM 1487 N ALA B 124 10.267 5.329 1.475 1.00 0.00 N ATOM 1488 CA ALA B 124 11.554 4.723 1.160 1.00 0.00 C ATOM 1489 C ALA B 124 12.019 5.105 -0.239 1.00 0.00 C ATOM 1490 O ALA B 124 12.973 5.864 -0.404 1.00 0.00 O ATOM 1491 CB ALA B 124 11.462 3.210 1.284 1.00 0.00 C ATOM 0 H ALA B 124 9.474 4.691 1.410 1.00 0.00 H new ATOM 0 HA ALA B 124 12.287 5.100 1.873 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.429 2.766 1.047 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.181 2.945 2.303 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.710 2.833 0.591 1.00 0.00 H new ATOM 1497 N LEU B 125 11.337 4.570 -1.244 1.00 0.00 N ATOM 1498 CA LEU B 125 11.675 4.844 -2.633 1.00 0.00 C ATOM 1499 C LEU B 125 11.146 6.208 -3.075 1.00 0.00 C ATOM 1500 O LEU B 125 11.557 6.733 -4.110 1.00 0.00 O ATOM 1501 CB LEU B 125 11.116 3.740 -3.531 1.00 0.00 C ATOM 1502 CG LEU B 125 11.476 2.321 -3.091 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.440 1.328 -3.589 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.864 1.943 -3.588 1.00 0.00 C ATOM 0 H LEU B 125 10.543 3.941 -1.121 1.00 0.00 H new ATOM 0 HA LEU B 125 12.761 4.864 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.030 3.832 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.481 3.895 -4.546 1.00 0.00 H new ATOM 0 HG LEU B 125 11.482 2.291 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.714 0.324 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.463 1.587 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.399 1.360 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.103 0.930 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU B 125 12.886 1.992 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.598 2.637 -3.179 1.00 0.00 H new