USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 469 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 8 LYS NZ :NH3+ -128:sc= 0.0296 (180deg=0) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0.0306 USER MOD Set 2.1: A 9 THR OG1 : rot 93:sc= 1.26 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.1: A 19 CYS SG : rot 180:sc= 0.513 USER MOD Set 3.2: A 22 CYS SG : rot 91:sc= 0.405 USER MOD Set 3.3: A 71 TYR OH : rot -172:sc= 0.338 USER MOD Set 4.1: A 11 GLN : amide:sc= 0.359 K(o=0.69,f=0.025) USER MOD Set 4.2: A 49 THR OG1 : rot 160:sc= 0.332 USER MOD Single : A 10 GLN : amide:sc= 1.11 K(o=1.1,f=-0.82) USER MOD Single : A 12 MET CE :methyl 177:sc= -0.461 (180deg=-0.554) USER MOD Single : A 13 GLN : amide:sc= 0.708 K(o=0.71,f=-7.7!) USER MOD Single : A 17 MET CE :methyl 171:sc= 0 (180deg=-0.137) USER MOD Single : A 24 SER OG : rot 64:sc= 1.23 USER MOD Single : A 25 SER OG : rot 67:sc= 0.493 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -150:sc= 0.00815 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00533 K(o=-0.0053,f=-0.94) USER MOD Single : A 58 SER OG : rot -100:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -7.231 -7.810 -17.572 1.00 0.00 N ATOM 2 CA PRO A 6 -5.973 -7.167 -17.157 1.00 0.00 C ATOM 3 C PRO A 6 -6.184 -5.917 -16.288 1.00 0.00 C ATOM 4 O PRO A 6 -7.300 -5.406 -16.197 1.00 0.00 O ATOM 5 CB PRO A 6 -5.212 -6.908 -18.459 1.00 0.00 C ATOM 6 CG PRO A 6 -5.605 -8.108 -19.332 1.00 0.00 C ATOM 7 CD PRO A 6 -6.776 -8.767 -18.595 1.00 0.00 C ATOM 0 HA PRO A 6 -5.393 -7.807 -16.492 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.505 -5.963 -18.916 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.135 -6.863 -18.295 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.897 -7.789 -20.333 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.772 -8.801 -19.449 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.583 -9.005 -19.288 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.464 -9.705 -18.135 1.00 0.00 H new ATOM 13 N LEU A 7 -5.112 -5.439 -15.642 1.00 0.00 N ATOM 14 CA LEU A 7 -5.128 -4.385 -14.621 1.00 0.00 C ATOM 15 C LEU A 7 -3.770 -3.651 -14.528 1.00 0.00 C ATOM 16 O LEU A 7 -3.135 -3.425 -15.565 1.00 0.00 O ATOM 17 CB LEU A 7 -5.699 -4.963 -13.299 1.00 0.00 C ATOM 18 CG LEU A 7 -4.922 -6.042 -12.502 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.780 -6.471 -11.301 1.00 0.00 C ATOM 20 CD2 LEU A 7 -4.575 -7.307 -13.296 1.00 0.00 C ATOM 0 H LEU A 7 -4.172 -5.791 -15.825 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.808 -3.581 -14.903 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.860 -4.122 -12.625 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.680 -5.379 -13.529 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.977 -5.579 -12.218 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.249 -7.231 -10.727 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.975 -5.607 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.726 -6.880 -11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.033 -8.002 -12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.492 -7.779 -13.648 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.953 -7.041 -14.150 1.00 0.00 H new ATOM 31 N LYS A 8 -3.339 -3.236 -13.329 1.00 0.00 N ATOM 32 CA LYS A 8 -2.014 -2.648 -13.066 1.00 0.00 C ATOM 33 C LYS A 8 -1.318 -3.274 -11.842 1.00 0.00 C ATOM 34 O LYS A 8 -1.981 -3.709 -10.899 1.00 0.00 O ATOM 35 CB LYS A 8 -2.145 -1.126 -12.849 1.00 0.00 C ATOM 36 CG LYS A 8 -2.409 -0.348 -14.148 1.00 0.00 C ATOM 37 CD LYS A 8 -2.205 1.167 -13.980 1.00 0.00 C ATOM 38 CE LYS A 8 -3.173 1.801 -12.972 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.812 3.202 -12.656 1.00 0.00 N ATOM 0 H LYS A 8 -3.917 -3.301 -12.491 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.398 -2.857 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.957 -0.934 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.231 -0.751 -12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.744 -0.716 -14.929 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.429 -0.539 -14.481 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.181 1.355 -13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.329 1.653 -14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.186 1.770 -13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.177 1.213 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.753 3.321 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.891 3.428 -13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.537 3.842 -13.038 1.00 0.00 H new ATOM 49 N THR A 9 0.023 -3.225 -11.817 1.00 0.00 N ATOM 50 CA THR A 9 0.879 -3.561 -10.660 1.00 0.00 C ATOM 51 C THR A 9 1.991 -2.526 -10.512 1.00 0.00 C ATOM 52 O THR A 9 2.413 -1.927 -11.503 1.00 0.00 O ATOM 53 CB THR A 9 1.407 -4.998 -10.754 1.00 0.00 C ATOM 54 OG1 THR A 9 1.918 -5.361 -9.494 1.00 0.00 O ATOM 55 CG2 THR A 9 2.502 -5.214 -11.798 1.00 0.00 C ATOM 0 H THR A 9 0.565 -2.940 -12.632 1.00 0.00 H new ATOM 0 HA THR A 9 0.279 -3.523 -9.751 1.00 0.00 H new ATOM 0 HB THR A 9 0.564 -5.614 -11.067 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.217 -5.804 -8.972 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.811 -6.259 -11.790 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.119 -4.956 -12.785 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.358 -4.581 -11.564 1.00 0.00 H new ATOM 63 N GLN A 10 2.442 -2.263 -9.285 1.00 0.00 N ATOM 64 CA GLN A 10 3.222 -1.071 -8.967 1.00 0.00 C ATOM 65 C GLN A 10 3.962 -1.274 -7.641 1.00 0.00 C ATOM 66 O GLN A 10 3.438 -1.924 -6.729 1.00 0.00 O ATOM 67 CB GLN A 10 2.259 0.135 -8.892 1.00 0.00 C ATOM 68 CG GLN A 10 2.940 1.513 -8.929 1.00 0.00 C ATOM 69 CD GLN A 10 3.505 1.918 -10.295 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.551 1.161 -11.262 1.00 0.00 O ATOM 71 NE2 GLN A 10 3.931 3.151 -10.423 1.00 0.00 N ATOM 0 H GLN A 10 2.275 -2.872 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 10 3.969 -0.884 -9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.556 0.071 -9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.676 0.059 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.219 2.267 -8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.750 1.521 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.897 3.788 -9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.296 3.474 -11.319 1.00 0.00 H new ATOM 78 N GLN A 11 5.162 -0.696 -7.529 1.00 0.00 N ATOM 79 CA GLN A 11 5.943 -0.628 -6.294 1.00 0.00 C ATOM 80 C GLN A 11 6.063 0.829 -5.818 1.00 0.00 C ATOM 81 O GLN A 11 5.915 1.763 -6.611 1.00 0.00 O ATOM 82 CB GLN A 11 7.333 -1.266 -6.500 1.00 0.00 C ATOM 83 CG GLN A 11 7.228 -2.717 -7.002 1.00 0.00 C ATOM 84 CD GLN A 11 8.549 -3.488 -6.969 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.538 -3.122 -7.597 1.00 0.00 O ATOM 86 NE2 GLN A 11 8.610 -4.593 -6.256 1.00 0.00 N ATOM 0 H GLN A 11 5.629 -0.250 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 11 5.427 -1.194 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.902 -0.674 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.885 -1.246 -5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.495 -3.248 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.850 -2.710 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.794 -4.906 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.473 -5.136 -6.229 1.00 0.00 H new ATOM 93 N MET A 12 6.335 1.034 -4.525 1.00 0.00 N ATOM 94 CA MET A 12 6.580 2.361 -3.940 1.00 0.00 C ATOM 95 C MET A 12 7.293 2.293 -2.591 1.00 0.00 C ATOM 96 O MET A 12 7.132 1.334 -1.840 1.00 0.00 O ATOM 97 CB MET A 12 5.283 3.178 -3.800 1.00 0.00 C ATOM 98 CG MET A 12 4.270 2.590 -2.799 1.00 0.00 C ATOM 99 SD MET A 12 2.573 2.446 -3.418 1.00 0.00 S ATOM 100 CE MET A 12 2.797 1.252 -4.761 1.00 0.00 C ATOM 0 H MET A 12 6.392 0.276 -3.845 1.00 0.00 H new ATOM 0 HA MET A 12 7.241 2.868 -4.643 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.537 4.191 -3.489 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.808 3.254 -4.778 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.615 1.601 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.262 3.213 -1.905 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.830 1.020 -5.206 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.453 1.677 -5.520 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.243 0.339 -4.366 1.00 0.00 H new ATOM 108 N GLN A 13 8.024 3.349 -2.248 1.00 0.00 N ATOM 109 CA GLN A 13 8.460 3.591 -0.877 1.00 0.00 C ATOM 110 C GLN A 13 7.319 4.188 -0.027 1.00 0.00 C ATOM 111 O GLN A 13 6.219 4.470 -0.509 1.00 0.00 O ATOM 112 CB GLN A 13 9.747 4.455 -0.872 1.00 0.00 C ATOM 113 CG GLN A 13 11.013 3.631 -0.554 1.00 0.00 C ATOM 114 CD GLN A 13 11.012 3.003 0.846 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.108 3.203 1.653 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.996 2.208 1.199 1.00 0.00 N ATOM 0 H GLN A 13 8.331 4.060 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 13 8.714 2.641 -0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.864 4.933 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.642 5.252 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.115 2.839 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.887 4.274 -0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.761 2.023 0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.996 1.775 2.123 1.00 0.00 H new ATOM 123 N VAL A 14 7.600 4.379 1.259 1.00 0.00 N ATOM 124 CA VAL A 14 6.666 4.857 2.285 1.00 0.00 C ATOM 125 C VAL A 14 7.442 5.668 3.335 1.00 0.00 C ATOM 126 O VAL A 14 8.645 5.464 3.508 1.00 0.00 O ATOM 127 CB VAL A 14 5.917 3.646 2.892 1.00 0.00 C ATOM 128 CG1 VAL A 14 6.833 2.781 3.774 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.677 4.049 3.698 1.00 0.00 C ATOM 0 H VAL A 14 8.530 4.197 1.637 1.00 0.00 H new ATOM 0 HA VAL A 14 5.915 5.520 1.855 1.00 0.00 H new ATOM 0 HB VAL A 14 5.589 3.060 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.264 1.944 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.662 2.402 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.223 3.384 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.196 3.156 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.973 4.700 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.978 4.578 3.050 1.00 0.00 H new ATOM 139 N GLY A 15 6.771 6.599 4.016 1.00 0.00 N ATOM 140 CA GLY A 15 7.338 7.448 5.068 1.00 0.00 C ATOM 141 C GLY A 15 6.864 7.030 6.456 1.00 0.00 C ATOM 142 O GLY A 15 5.817 7.497 6.913 1.00 0.00 O ATOM 0 H GLY A 15 5.784 6.790 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.426 7.399 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.058 8.486 4.887 1.00 0.00 H new ATOM 146 N GLY A 16 7.656 6.189 7.131 1.00 0.00 N ATOM 147 CA GLY A 16 7.560 5.888 8.568 1.00 0.00 C ATOM 148 C GLY A 16 7.286 4.423 8.926 1.00 0.00 C ATOM 149 O GLY A 16 7.542 4.034 10.063 1.00 0.00 O ATOM 0 H GLY A 16 8.412 5.678 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.491 6.191 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.767 6.501 8.996 1.00 0.00 H new ATOM 153 N MET A 17 6.810 3.596 7.987 1.00 0.00 N ATOM 154 CA MET A 17 6.611 2.153 8.210 1.00 0.00 C ATOM 155 C MET A 17 7.923 1.381 7.999 1.00 0.00 C ATOM 156 O MET A 17 8.556 1.512 6.948 1.00 0.00 O ATOM 157 CB MET A 17 5.482 1.638 7.302 1.00 0.00 C ATOM 158 CG MET A 17 5.263 0.122 7.419 1.00 0.00 C ATOM 159 SD MET A 17 3.785 -0.502 6.590 1.00 0.00 S ATOM 160 CE MET A 17 4.232 -0.231 4.857 1.00 0.00 C ATOM 0 H MET A 17 6.551 3.905 7.050 1.00 0.00 H new ATOM 0 HA MET A 17 6.311 1.986 9.245 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.556 2.154 7.555 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.713 1.887 6.266 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.134 -0.388 7.009 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.207 -0.141 8.475 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.495 -0.709 4.212 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.256 0.839 4.650 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.215 -0.660 4.664 1.00 0.00 H new ATOM 168 N ARG A 18 8.315 0.569 8.989 1.00 0.00 N ATOM 169 CA ARG A 18 9.566 -0.208 9.031 1.00 0.00 C ATOM 170 C ARG A 18 9.480 -1.546 9.789 1.00 0.00 C ATOM 171 O ARG A 18 10.321 -2.408 9.523 1.00 0.00 O ATOM 172 CB ARG A 18 10.688 0.648 9.662 1.00 0.00 C ATOM 173 CG ARG A 18 11.266 1.740 8.744 1.00 0.00 C ATOM 174 CD ARG A 18 12.037 1.216 7.522 1.00 0.00 C ATOM 175 NE ARG A 18 13.273 0.516 7.916 1.00 0.00 N ATOM 176 CZ ARG A 18 13.523 -0.788 7.879 1.00 0.00 C ATOM 177 NH1 ARG A 18 12.615 -1.666 7.531 1.00 0.00 N ATOM 178 NH2 ARG A 18 14.710 -1.230 8.214 1.00 0.00 N ATOM 0 H ARG A 18 7.744 0.427 9.822 1.00 0.00 H new ATOM 0 HA ARG A 18 9.779 -0.461 7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.300 1.121 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.498 -0.012 9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.449 2.372 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.931 2.373 9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.400 0.538 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.284 2.049 6.863 1.00 0.00 H new ATOM 0 HE ARG A 18 14.030 1.106 8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.677 -1.356 7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.846 -2.659 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.436 -0.574 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.908 -2.230 8.188 1.00 0.00 H new ATOM 189 N CYS A 19 8.525 -1.746 10.706 1.00 0.00 N ATOM 190 CA CYS A 19 8.432 -2.965 11.521 1.00 0.00 C ATOM 191 C CYS A 19 7.313 -3.935 11.094 1.00 0.00 C ATOM 192 O CYS A 19 6.362 -3.553 10.407 1.00 0.00 O ATOM 193 CB CYS A 19 8.321 -2.559 12.998 1.00 0.00 C ATOM 194 SG CYS A 19 6.655 -1.958 13.405 1.00 0.00 S ATOM 0 H CYS A 19 7.792 -1.065 10.905 1.00 0.00 H new ATOM 0 HA CYS A 19 9.343 -3.541 11.360 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.564 -3.413 13.630 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.052 -1.781 13.218 1.00 0.00 H new ATOM 0 HG CYS A 19 6.607 -1.629 14.662 1.00 0.00 H new ATOM 199 N ALA A 20 7.420 -5.183 11.558 1.00 0.00 N ATOM 200 CA ALA A 20 6.483 -6.276 11.295 1.00 0.00 C ATOM 201 C ALA A 20 5.054 -5.958 11.760 1.00 0.00 C ATOM 202 O ALA A 20 4.095 -6.231 11.035 1.00 0.00 O ATOM 203 CB ALA A 20 7.027 -7.526 11.998 1.00 0.00 C ATOM 0 H ALA A 20 8.197 -5.471 12.153 1.00 0.00 H new ATOM 0 HA ALA A 20 6.409 -6.435 10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.352 -8.364 11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.014 -7.766 11.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.102 -7.337 13.069 1.00 0.00 H new ATOM 209 N ALA A 21 4.897 -5.339 12.936 1.00 0.00 N ATOM 210 CA ALA A 21 3.598 -4.891 13.437 1.00 0.00 C ATOM 211 C ALA A 21 2.930 -3.904 12.465 1.00 0.00 C ATOM 212 O ALA A 21 1.796 -4.131 12.051 1.00 0.00 O ATOM 213 CB ALA A 21 3.782 -4.292 14.836 1.00 0.00 C ATOM 0 H ALA A 21 5.672 -5.135 13.567 1.00 0.00 H new ATOM 0 HA ALA A 21 2.924 -5.744 13.510 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.818 -3.955 15.217 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.192 -5.049 15.505 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.467 -3.446 14.782 1.00 0.00 H new ATOM 219 N CYS A 22 3.638 -2.861 12.019 1.00 0.00 N ATOM 220 CA CYS A 22 3.080 -1.871 11.091 1.00 0.00 C ATOM 221 C CYS A 22 2.820 -2.431 9.689 1.00 0.00 C ATOM 222 O CYS A 22 1.751 -2.178 9.131 1.00 0.00 O ATOM 223 CB CYS A 22 3.996 -0.643 11.043 1.00 0.00 C ATOM 224 SG CYS A 22 3.858 0.301 12.586 1.00 0.00 S ATOM 0 H CYS A 22 4.605 -2.680 12.288 1.00 0.00 H new ATOM 0 HA CYS A 22 2.101 -1.581 11.472 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.029 -0.956 10.891 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.726 -0.012 10.196 1.00 0.00 H new ATOM 0 HG CYS A 22 4.752 -0.117 13.432 1.00 0.00 H new ATOM 229 N ALA A 23 3.729 -3.255 9.159 1.00 0.00 N ATOM 230 CA ALA A 23 3.482 -4.028 7.945 1.00 0.00 C ATOM 231 C ALA A 23 2.213 -4.889 8.071 1.00 0.00 C ATOM 232 O ALA A 23 1.468 -5.030 7.106 1.00 0.00 O ATOM 233 CB ALA A 23 4.721 -4.890 7.681 1.00 0.00 C ATOM 0 H ALA A 23 4.655 -3.403 9.561 1.00 0.00 H new ATOM 0 HA ALA A 23 3.308 -3.356 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.567 -5.481 6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.591 -4.246 7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.887 -5.557 8.527 1.00 0.00 H new ATOM 239 N SER A 24 1.910 -5.394 9.268 1.00 0.00 N ATOM 240 CA SER A 24 0.703 -6.192 9.524 1.00 0.00 C ATOM 241 C SER A 24 -0.546 -5.304 9.630 1.00 0.00 C ATOM 242 O SER A 24 -1.605 -5.676 9.143 1.00 0.00 O ATOM 243 CB SER A 24 0.870 -7.045 10.792 1.00 0.00 C ATOM 244 OG SER A 24 2.020 -7.876 10.712 1.00 0.00 O ATOM 0 H SER A 24 2.496 -5.262 10.093 1.00 0.00 H new ATOM 0 HA SER A 24 0.565 -6.861 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.950 -6.394 11.662 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.017 -7.662 10.936 1.00 0.00 H new ATOM 0 HG SER A 24 2.824 -7.318 10.661 1.00 0.00 H new ATOM 249 N SER A 25 -0.425 -4.097 10.185 1.00 0.00 N ATOM 250 CA SER A 25 -1.494 -3.091 10.259 1.00 0.00 C ATOM 251 C SER A 25 -1.935 -2.589 8.878 1.00 0.00 C ATOM 252 O SER A 25 -3.098 -2.209 8.702 1.00 0.00 O ATOM 253 CB SER A 25 -1.081 -1.919 11.178 1.00 0.00 C ATOM 254 OG SER A 25 -0.554 -2.364 12.421 1.00 0.00 O ATOM 0 H SER A 25 0.446 -3.779 10.610 1.00 0.00 H new ATOM 0 HA SER A 25 -2.363 -3.584 10.696 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.336 -1.307 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.946 -1.282 11.361 1.00 0.00 H new ATOM 0 HG SER A 25 0.298 -2.824 12.269 1.00 0.00 H new ATOM 259 N ILE A 26 -1.040 -2.664 7.885 1.00 0.00 N ATOM 260 CA ILE A 26 -1.375 -2.578 6.458 1.00 0.00 C ATOM 261 C ILE A 26 -1.937 -3.905 5.938 1.00 0.00 C ATOM 262 O ILE A 26 -3.072 -3.938 5.459 1.00 0.00 O ATOM 263 CB ILE A 26 -0.142 -2.098 5.646 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.368 -0.716 6.103 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.442 -2.067 4.134 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.701 0.370 6.227 1.00 0.00 C ATOM 0 H ILE A 26 -0.042 -2.789 8.055 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.164 -1.837 6.326 1.00 0.00 H new ATOM 0 HB ILE A 26 0.647 -2.825 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.859 -0.830 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.127 -0.376 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.442 -1.727 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.710 -3.068 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.270 -1.385 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.238 1.301 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.178 0.523 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.450 0.062 6.956 1.00 0.00 H new ATOM 277 N GLU A 27 -1.165 -4.990 6.016 1.00 0.00 N ATOM 278 CA GLU A 27 -1.448 -6.235 5.291 1.00 0.00 C ATOM 279 C GLU A 27 -2.746 -6.923 5.743 1.00 0.00 C ATOM 280 O GLU A 27 -3.421 -7.530 4.906 1.00 0.00 O ATOM 281 CB GLU A 27 -0.248 -7.202 5.365 1.00 0.00 C ATOM 282 CG GLU A 27 0.832 -6.866 4.316 1.00 0.00 C ATOM 283 CD GLU A 27 1.910 -7.946 4.128 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.865 -9.020 4.775 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.808 -7.744 3.277 1.00 0.00 O ATOM 0 H GLU A 27 -0.321 -5.032 6.586 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.605 -5.953 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.190 -7.160 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.596 -8.224 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.344 -6.689 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.319 -5.934 4.603 1.00 0.00 H new ATOM 290 N ARG A 28 -3.138 -6.785 7.019 1.00 0.00 N ATOM 291 CA ARG A 28 -4.393 -7.335 7.554 1.00 0.00 C ATOM 292 C ARG A 28 -5.640 -6.667 6.960 1.00 0.00 C ATOM 293 O ARG A 28 -6.654 -7.339 6.749 1.00 0.00 O ATOM 294 CB ARG A 28 -4.364 -7.210 9.086 1.00 0.00 C ATOM 295 CG ARG A 28 -5.596 -7.810 9.781 1.00 0.00 C ATOM 296 CD ARG A 28 -5.416 -8.041 11.291 1.00 0.00 C ATOM 297 NE ARG A 28 -5.160 -6.806 12.054 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.973 -6.283 12.332 1.00 0.00 C ATOM 299 NH1 ARG A 28 -2.838 -6.751 11.872 1.00 0.00 N ATOM 300 NH2 ARG A 28 -3.891 -5.243 13.120 1.00 0.00 N ATOM 0 H ARG A 28 -2.587 -6.283 7.715 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.463 -8.384 7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.469 -7.703 9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.285 -6.156 9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.447 -7.147 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.841 -8.760 9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.311 -8.522 11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.588 -8.732 11.447 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.976 -6.304 12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.833 -7.567 11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.960 -6.299 12.126 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.738 -4.837 13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.980 -4.838 13.336 1.00 0.00 H new ATOM 311 N ALA A 29 -5.566 -5.368 6.648 1.00 0.00 N ATOM 312 CA ALA A 29 -6.646 -4.628 5.993 1.00 0.00 C ATOM 313 C ALA A 29 -6.576 -4.737 4.463 1.00 0.00 C ATOM 314 O ALA A 29 -7.614 -4.793 3.807 1.00 0.00 O ATOM 315 CB ALA A 29 -6.562 -3.163 6.424 1.00 0.00 C ATOM 0 H ALA A 29 -4.745 -4.797 6.846 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.599 -5.062 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.360 -2.596 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.669 -3.096 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.597 -2.751 6.128 1.00 0.00 H new ATOM 321 N LEU A 30 -5.372 -4.801 3.883 1.00 0.00 N ATOM 322 CA LEU A 30 -5.148 -4.802 2.431 1.00 0.00 C ATOM 323 C LEU A 30 -5.655 -6.073 1.720 1.00 0.00 C ATOM 324 O LEU A 30 -5.777 -6.077 0.498 1.00 0.00 O ATOM 325 CB LEU A 30 -3.652 -4.514 2.191 1.00 0.00 C ATOM 326 CG LEU A 30 -3.227 -4.248 0.731 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.056 -3.148 0.049 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.749 -3.834 0.717 1.00 0.00 C ATOM 0 H LEU A 30 -4.507 -4.855 4.421 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.750 -4.017 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.371 -3.649 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.077 -5.361 2.565 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.395 -5.169 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.706 -3.011 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.107 -3.438 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.944 -2.214 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.434 -3.643 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.619 -2.929 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.143 -4.636 1.139 1.00 0.00 H new ATOM 339 N GLU A 31 -6.015 -7.128 2.455 1.00 0.00 N ATOM 340 CA GLU A 31 -6.771 -8.269 1.921 1.00 0.00 C ATOM 341 C GLU A 31 -8.305 -8.079 1.970 1.00 0.00 C ATOM 342 O GLU A 31 -9.029 -8.870 1.364 1.00 0.00 O ATOM 343 CB GLU A 31 -6.354 -9.565 2.644 1.00 0.00 C ATOM 344 CG GLU A 31 -6.557 -9.517 4.167 1.00 0.00 C ATOM 345 CD GLU A 31 -6.412 -10.892 4.813 1.00 0.00 C ATOM 346 OE1 GLU A 31 -5.527 -11.682 4.405 1.00 0.00 O ATOM 347 OE2 GLU A 31 -7.211 -11.201 5.729 1.00 0.00 O ATOM 0 H GLU A 31 -5.789 -7.217 3.446 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.518 -8.341 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.927 -10.398 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.304 -9.766 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.831 -8.833 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.547 -9.117 4.387 1.00 0.00 H new ATOM 352 N ARG A 32 -8.822 -7.063 2.678 1.00 0.00 N ATOM 353 CA ARG A 32 -10.263 -6.786 2.830 1.00 0.00 C ATOM 354 C ARG A 32 -10.776 -5.625 1.964 1.00 0.00 C ATOM 355 O ARG A 32 -11.971 -5.607 1.650 1.00 0.00 O ATOM 356 CB ARG A 32 -10.608 -6.482 4.298 1.00 0.00 C ATOM 357 CG ARG A 32 -10.340 -7.678 5.220 1.00 0.00 C ATOM 358 CD ARG A 32 -10.975 -7.453 6.594 1.00 0.00 C ATOM 359 NE ARG A 32 -10.689 -8.572 7.502 1.00 0.00 N ATOM 360 CZ ARG A 32 -11.070 -8.646 8.770 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.843 -7.734 9.322 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.670 -9.653 9.510 1.00 0.00 N ATOM 0 H ARG A 32 -8.236 -6.392 3.175 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.760 -7.694 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.023 -5.627 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.658 -6.198 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.742 -8.587 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.266 -7.826 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.597 -6.526 7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.053 -7.337 6.484 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.154 -9.355 7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.168 -6.939 8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.117 -7.822 10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.069 -10.373 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.960 -9.715 10.486 1.00 0.00 H new ATOM 373 N LEU A 33 -9.917 -4.664 1.596 1.00 0.00 N ATOM 374 CA LEU A 33 -10.264 -3.545 0.700 1.00 0.00 C ATOM 375 C LEU A 33 -10.846 -4.038 -0.636 1.00 0.00 C ATOM 376 O LEU A 33 -10.627 -5.176 -1.055 1.00 0.00 O ATOM 377 CB LEU A 33 -9.043 -2.628 0.460 1.00 0.00 C ATOM 378 CG LEU A 33 -8.323 -2.092 1.715 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.211 -1.111 1.316 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.266 -1.418 2.720 1.00 0.00 C ATOM 0 H LEU A 33 -8.948 -4.639 1.915 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.039 -2.963 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.318 -3.177 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.369 -1.775 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.897 -2.963 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.713 -0.742 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.486 -1.621 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.644 -0.273 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.692 -1.065 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.762 -0.573 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.014 -2.136 3.055 1.00 0.00 H new ATOM 391 N LYS A 34 -11.593 -3.177 -1.318 1.00 0.00 N ATOM 392 CA LYS A 34 -12.153 -3.441 -2.647 1.00 0.00 C ATOM 393 C LYS A 34 -11.090 -3.346 -3.759 1.00 0.00 C ATOM 394 O LYS A 34 -10.115 -2.607 -3.643 1.00 0.00 O ATOM 395 CB LYS A 34 -13.309 -2.459 -2.886 1.00 0.00 C ATOM 396 CG LYS A 34 -14.532 -2.820 -2.029 1.00 0.00 C ATOM 397 CD LYS A 34 -15.690 -1.844 -2.267 1.00 0.00 C ATOM 398 CE LYS A 34 -16.857 -2.123 -1.310 1.00 0.00 C ATOM 399 NZ LYS A 34 -17.573 -3.380 -1.632 1.00 0.00 N ATOM 0 H LYS A 34 -11.834 -2.254 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.524 -4.465 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.983 -1.446 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.585 -2.468 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.855 -3.834 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.255 -2.809 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.341 -0.821 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.034 -1.928 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.479 -2.176 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.559 -1.290 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.351 -3.520 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.959 -3.323 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.913 -4.181 -1.571 1.00 0.00 H new ATOM 409 N GLY A 35 -11.278 -4.102 -4.848 1.00 0.00 N ATOM 410 CA GLY A 35 -10.540 -3.945 -6.113 1.00 0.00 C ATOM 411 C GLY A 35 -9.039 -4.257 -6.083 1.00 0.00 C ATOM 412 O GLY A 35 -8.349 -3.896 -7.034 1.00 0.00 O ATOM 0 H GLY A 35 -11.962 -4.858 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.006 -4.588 -6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.666 -2.918 -6.454 1.00 0.00 H new ATOM 416 N VAL A 36 -8.527 -4.907 -5.033 1.00 0.00 N ATOM 417 CA VAL A 36 -7.100 -5.247 -4.868 1.00 0.00 C ATOM 418 C VAL A 36 -6.888 -6.744 -5.089 1.00 0.00 C ATOM 419 O VAL A 36 -7.590 -7.576 -4.518 1.00 0.00 O ATOM 420 CB VAL A 36 -6.523 -4.809 -3.500 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.263 -3.296 -3.476 1.00 0.00 C ATOM 422 CG2 VAL A 36 -7.401 -5.168 -2.292 1.00 0.00 C ATOM 0 H VAL A 36 -9.103 -5.221 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.552 -4.685 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.594 -5.371 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.858 -3.012 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.548 -3.037 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.198 -2.763 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.919 -4.824 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.374 -4.687 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.534 -6.249 -2.247 1.00 0.00 H new ATOM 432 N ALA A 37 -5.920 -7.091 -5.937 1.00 0.00 N ATOM 433 CA ALA A 37 -5.659 -8.461 -6.370 1.00 0.00 C ATOM 434 C ALA A 37 -4.565 -9.133 -5.526 1.00 0.00 C ATOM 435 O ALA A 37 -4.832 -10.145 -4.873 1.00 0.00 O ATOM 436 CB ALA A 37 -5.307 -8.419 -7.862 1.00 0.00 C ATOM 0 H ALA A 37 -5.282 -6.411 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.547 -9.076 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.106 -9.430 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.142 -7.997 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.422 -7.800 -8.010 1.00 0.00 H new ATOM 442 N GLU A 38 -3.354 -8.565 -5.511 1.00 0.00 N ATOM 443 CA GLU A 38 -2.155 -9.165 -4.909 1.00 0.00 C ATOM 444 C GLU A 38 -1.189 -8.091 -4.404 1.00 0.00 C ATOM 445 O GLU A 38 -0.817 -7.204 -5.171 1.00 0.00 O ATOM 446 CB GLU A 38 -1.416 -10.057 -5.921 1.00 0.00 C ATOM 447 CG GLU A 38 -2.091 -11.411 -6.154 1.00 0.00 C ATOM 448 CD GLU A 38 -1.324 -12.230 -7.184 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.140 -12.568 -6.952 1.00 0.00 O ATOM 450 OE2 GLU A 38 -1.906 -12.564 -8.243 1.00 0.00 O ATOM 0 H GLU A 38 -3.175 -7.651 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.493 -9.770 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.342 -9.529 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.398 -10.224 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.147 -11.961 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.115 -11.258 -6.495 1.00 0.00 H new ATOM 455 N ALA A 39 -0.745 -8.176 -3.147 1.00 0.00 N ATOM 456 CA ALA A 39 0.096 -7.148 -2.520 1.00 0.00 C ATOM 457 C ALA A 39 1.034 -7.689 -1.425 1.00 0.00 C ATOM 458 O ALA A 39 0.822 -8.780 -0.886 1.00 0.00 O ATOM 459 CB ALA A 39 -0.828 -6.054 -1.970 1.00 0.00 C ATOM 0 H ALA A 39 -0.958 -8.961 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 39 0.766 -6.748 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.229 -5.275 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.406 -5.622 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.506 -6.486 -1.234 1.00 0.00 H new ATOM 465 N SER A 40 2.065 -6.915 -1.076 1.00 0.00 N ATOM 466 CA SER A 40 3.076 -7.282 -0.070 1.00 0.00 C ATOM 467 C SER A 40 3.940 -6.091 0.400 1.00 0.00 C ATOM 468 O SER A 40 4.474 -5.334 -0.417 1.00 0.00 O ATOM 469 CB SER A 40 3.981 -8.413 -0.600 1.00 0.00 C ATOM 470 OG SER A 40 4.601 -8.094 -1.839 1.00 0.00 O ATOM 0 H SER A 40 2.227 -5.997 -1.490 1.00 0.00 H new ATOM 0 HA SER A 40 2.521 -7.628 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.751 -8.631 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.388 -9.320 -0.720 1.00 0.00 H new ATOM 0 HG SER A 40 5.163 -8.844 -2.126 1.00 0.00 H new ATOM 475 N VAL A 41 4.126 -5.944 1.718 1.00 0.00 N ATOM 476 CA VAL A 41 5.144 -5.067 2.327 1.00 0.00 C ATOM 477 C VAL A 41 6.466 -5.835 2.386 1.00 0.00 C ATOM 478 O VAL A 41 6.520 -6.929 2.946 1.00 0.00 O ATOM 479 CB VAL A 41 4.763 -4.601 3.758 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.860 -3.700 4.361 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.442 -3.814 3.783 1.00 0.00 C ATOM 0 H VAL A 41 3.563 -6.440 2.409 1.00 0.00 H new ATOM 0 HA VAL A 41 5.224 -4.171 1.711 1.00 0.00 H new ATOM 0 HB VAL A 41 4.651 -5.511 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.565 -3.389 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.797 -4.254 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.994 -2.819 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.219 -3.510 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.534 -2.929 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.636 -4.444 3.408 1.00 0.00 H new ATOM 491 N THR A 42 7.540 -5.251 1.846 1.00 0.00 N ATOM 492 CA THR A 42 8.906 -5.777 1.959 1.00 0.00 C ATOM 493 C THR A 42 9.540 -5.157 3.198 1.00 0.00 C ATOM 494 O THR A 42 10.082 -4.051 3.159 1.00 0.00 O ATOM 495 CB THR A 42 9.693 -5.495 0.679 1.00 0.00 C ATOM 496 OG1 THR A 42 9.008 -6.096 -0.396 1.00 0.00 O ATOM 497 CG2 THR A 42 11.104 -6.077 0.713 1.00 0.00 C ATOM 0 H THR A 42 7.485 -4.385 1.309 1.00 0.00 H new ATOM 0 HA THR A 42 8.905 -6.861 2.074 1.00 0.00 H new ATOM 0 HB THR A 42 9.777 -4.413 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.650 -6.356 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.616 -5.846 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.657 -5.643 1.546 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.049 -7.158 0.838 1.00 0.00 H new ATOM 505 N VAL A 43 9.444 -5.871 4.316 1.00 0.00 N ATOM 506 CA VAL A 43 9.784 -5.374 5.664 1.00 0.00 C ATOM 507 C VAL A 43 11.260 -4.959 5.777 1.00 0.00 C ATOM 508 O VAL A 43 11.573 -4.077 6.569 1.00 0.00 O ATOM 509 CB VAL A 43 9.421 -6.423 6.744 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.860 -6.034 8.169 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.899 -6.627 6.766 1.00 0.00 C ATOM 0 H VAL A 43 9.120 -6.838 4.319 1.00 0.00 H new ATOM 0 HA VAL A 43 9.187 -4.478 5.835 1.00 0.00 H new ATOM 0 HB VAL A 43 9.958 -7.331 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.570 -6.820 8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.942 -5.908 8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.379 -5.099 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.642 -7.365 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.409 -5.682 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.565 -6.979 5.790 1.00 0.00 H new ATOM 521 N ALA A 44 12.161 -5.511 4.950 1.00 0.00 N ATOM 522 CA ALA A 44 13.574 -5.122 4.891 1.00 0.00 C ATOM 523 C ALA A 44 13.815 -3.610 4.668 1.00 0.00 C ATOM 524 O ALA A 44 14.838 -3.100 5.131 1.00 0.00 O ATOM 525 CB ALA A 44 14.246 -5.967 3.802 1.00 0.00 C ATOM 0 H ALA A 44 11.921 -6.253 4.293 1.00 0.00 H new ATOM 0 HA ALA A 44 14.017 -5.315 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.301 -5.700 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.154 -7.024 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.761 -5.778 2.844 1.00 0.00 H new ATOM 531 N THR A 45 12.890 -2.885 4.014 1.00 0.00 N ATOM 532 CA THR A 45 12.973 -1.419 3.795 1.00 0.00 C ATOM 533 C THR A 45 11.656 -0.668 4.010 1.00 0.00 C ATOM 534 O THR A 45 11.633 0.563 3.926 1.00 0.00 O ATOM 535 CB THR A 45 13.524 -1.104 2.399 1.00 0.00 C ATOM 536 OG1 THR A 45 12.630 -1.565 1.416 1.00 0.00 O ATOM 537 CG2 THR A 45 14.898 -1.728 2.150 1.00 0.00 C ATOM 0 H THR A 45 12.049 -3.302 3.615 1.00 0.00 H new ATOM 0 HA THR A 45 13.659 -1.060 4.562 1.00 0.00 H new ATOM 0 HB THR A 45 13.635 -0.021 2.343 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.987 -1.359 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.238 -1.472 1.147 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.609 -1.346 2.882 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.828 -2.812 2.243 1.00 0.00 H new ATOM 545 N GLY A 46 10.563 -1.385 4.293 1.00 0.00 N ATOM 546 CA GLY A 46 9.202 -0.852 4.438 1.00 0.00 C ATOM 547 C GLY A 46 8.458 -0.640 3.115 1.00 0.00 C ATOM 548 O GLY A 46 7.280 -0.293 3.147 1.00 0.00 O ATOM 0 H GLY A 46 10.603 -2.395 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.623 -1.534 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.252 0.099 4.968 1.00 0.00 H new ATOM 552 N ARG A 47 9.111 -0.829 1.960 1.00 0.00 N ATOM 553 CA ARG A 47 8.531 -0.536 0.642 1.00 0.00 C ATOM 554 C ARG A 47 7.370 -1.487 0.324 1.00 0.00 C ATOM 555 O ARG A 47 7.332 -2.621 0.802 1.00 0.00 O ATOM 556 CB ARG A 47 9.629 -0.482 -0.447 1.00 0.00 C ATOM 557 CG ARG A 47 10.168 -1.823 -0.976 1.00 0.00 C ATOM 558 CD ARG A 47 9.279 -2.451 -2.067 1.00 0.00 C ATOM 559 NE ARG A 47 9.834 -3.713 -2.575 1.00 0.00 N ATOM 560 CZ ARG A 47 10.684 -3.854 -3.584 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.184 -2.832 -4.246 1.00 0.00 N ATOM 562 NH2 ARG A 47 11.034 -5.062 -3.956 1.00 0.00 N ATOM 0 H ARG A 47 10.063 -1.192 1.914 1.00 0.00 H new ATOM 0 HA ARG A 47 8.090 0.460 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.236 0.081 -1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.470 0.086 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.170 -1.671 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.260 -2.523 -0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.283 -2.630 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.167 -1.747 -2.892 1.00 0.00 H new ATOM 0 HE ARG A 47 9.536 -4.567 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.921 -1.880 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.835 -2.992 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.654 -5.875 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.686 -5.188 -4.730 1.00 0.00 H new ATOM 573 N LEU A 48 6.442 -1.037 -0.517 1.00 0.00 N ATOM 574 CA LEU A 48 5.241 -1.764 -0.927 1.00 0.00 C ATOM 575 C LEU A 48 5.278 -2.186 -2.398 1.00 0.00 C ATOM 576 O LEU A 48 5.943 -1.562 -3.227 1.00 0.00 O ATOM 577 CB LEU A 48 4.018 -0.869 -0.631 1.00 0.00 C ATOM 578 CG LEU A 48 3.405 -1.187 0.737 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.461 -0.049 1.114 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.577 -2.483 0.675 1.00 0.00 C ATOM 0 H LEU A 48 6.508 -0.116 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 48 5.179 -2.693 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.317 0.179 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.267 -1.009 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 48 4.208 -1.305 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.013 -0.255 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.019 0.886 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.676 0.036 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.151 -2.690 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.773 -2.367 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.220 -3.311 0.376 1.00 0.00 H new ATOM 591 N THR A 49 4.486 -3.220 -2.690 1.00 0.00 N ATOM 592 CA THR A 49 4.148 -3.769 -4.012 1.00 0.00 C ATOM 593 C THR A 49 2.662 -4.073 -3.957 1.00 0.00 C ATOM 594 O THR A 49 2.202 -4.670 -2.983 1.00 0.00 O ATOM 595 CB THR A 49 4.944 -5.051 -4.303 1.00 0.00 C ATOM 596 OG1 THR A 49 6.322 -4.759 -4.279 1.00 0.00 O ATOM 597 CG2 THR A 49 4.625 -5.632 -5.682 1.00 0.00 C ATOM 0 H THR A 49 4.023 -3.742 -1.946 1.00 0.00 H new ATOM 0 HA THR A 49 4.394 -3.065 -4.806 1.00 0.00 H new ATOM 0 HB THR A 49 4.667 -5.778 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.829 -5.586 -4.142 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.212 -6.537 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.564 -5.874 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.872 -4.900 -6.451 1.00 0.00 H new ATOM 605 N VAL A 50 1.918 -3.638 -4.969 1.00 0.00 N ATOM 606 CA VAL A 50 0.452 -3.758 -5.008 1.00 0.00 C ATOM 607 C VAL A 50 -0.049 -3.905 -6.448 1.00 0.00 C ATOM 608 O VAL A 50 0.388 -3.179 -7.342 1.00 0.00 O ATOM 609 CB VAL A 50 -0.233 -2.578 -4.266 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.081 -1.206 -4.889 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.759 -2.755 -4.179 1.00 0.00 C ATOM 0 H VAL A 50 2.312 -3.188 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 50 0.173 -4.668 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 50 0.189 -2.598 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.428 -0.425 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.157 -1.032 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.263 -1.189 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.194 -1.906 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.177 -2.811 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.989 -3.674 -3.639 1.00 0.00 H new ATOM 621 N THR A 51 -0.971 -4.851 -6.646 1.00 0.00 N ATOM 622 CA THR A 51 -1.719 -5.112 -7.880 1.00 0.00 C ATOM 623 C THR A 51 -3.184 -4.821 -7.604 1.00 0.00 C ATOM 624 O THR A 51 -3.765 -5.414 -6.695 1.00 0.00 O ATOM 625 CB THR A 51 -1.523 -6.566 -8.331 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.138 -6.763 -8.478 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.158 -6.848 -9.699 1.00 0.00 C ATOM 0 H THR A 51 -1.232 -5.497 -5.901 1.00 0.00 H new ATOM 0 HA THR A 51 -1.358 -4.473 -8.686 1.00 0.00 H new ATOM 0 HB THR A 51 -1.988 -7.220 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.033 -7.684 -8.765 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.990 -7.890 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.229 -6.654 -9.650 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.706 -6.200 -10.450 1.00 0.00 H new ATOM 635 N TYR A 52 -3.773 -3.919 -8.386 1.00 0.00 N ATOM 636 CA TYR A 52 -5.140 -3.412 -8.209 1.00 0.00 C ATOM 637 C TYR A 52 -5.824 -3.136 -9.556 1.00 0.00 C ATOM 638 O TYR A 52 -5.154 -2.861 -10.554 1.00 0.00 O ATOM 639 CB TYR A 52 -5.130 -2.152 -7.322 1.00 0.00 C ATOM 640 CG TYR A 52 -4.493 -0.900 -7.917 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.246 -0.047 -8.750 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.162 -0.559 -7.601 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.669 1.127 -9.276 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.588 0.630 -8.097 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.344 1.477 -8.940 1.00 0.00 C ATOM 646 OH TYR A 52 -2.820 2.638 -9.422 1.00 0.00 O ATOM 0 H TYR A 52 -3.299 -3.504 -9.189 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.723 -4.185 -7.709 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.160 -1.916 -7.055 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.608 -2.392 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.270 -0.294 -8.986 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.576 -1.214 -6.973 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.242 1.760 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.574 0.893 -7.834 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.899 2.739 -9.102 1.00 0.00 H new ATOM 655 N ASP A 53 -7.157 -3.194 -9.589 1.00 0.00 N ATOM 656 CA ASP A 53 -7.953 -2.898 -10.773 1.00 0.00 C ATOM 657 C ASP A 53 -8.274 -1.391 -10.805 1.00 0.00 C ATOM 658 O ASP A 53 -9.047 -0.920 -9.960 1.00 0.00 O ATOM 659 CB ASP A 53 -9.202 -3.784 -10.805 1.00 0.00 C ATOM 660 CG ASP A 53 -10.021 -3.510 -12.066 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.677 -4.069 -13.133 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.977 -2.707 -11.983 1.00 0.00 O ATOM 0 H ASP A 53 -7.719 -3.453 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.392 -3.129 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.911 -4.834 -10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.811 -3.596 -9.921 1.00 0.00 H new ATOM 666 N PRO A 54 -7.700 -0.626 -11.762 1.00 0.00 N ATOM 667 CA PRO A 54 -7.796 0.834 -11.828 1.00 0.00 C ATOM 668 C PRO A 54 -9.186 1.343 -12.244 1.00 0.00 C ATOM 669 O PRO A 54 -9.348 2.523 -12.559 1.00 0.00 O ATOM 670 CB PRO A 54 -6.703 1.262 -12.807 1.00 0.00 C ATOM 671 CG PRO A 54 -6.623 0.083 -13.766 1.00 0.00 C ATOM 672 CD PRO A 54 -6.847 -1.104 -12.842 1.00 0.00 C ATOM 0 HA PRO A 54 -7.655 1.274 -10.841 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.963 2.186 -13.324 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.753 1.436 -12.301 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.383 0.141 -14.545 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.656 0.031 -14.267 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.320 -1.928 -13.376 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.900 -1.478 -12.453 1.00 0.00 H new ATOM 677 N LYS A 55 -10.187 0.457 -12.257 1.00 0.00 N ATOM 678 CA LYS A 55 -11.580 0.758 -12.598 1.00 0.00 C ATOM 679 C LYS A 55 -12.443 0.561 -11.339 1.00 0.00 C ATOM 680 O LYS A 55 -13.201 1.454 -10.960 1.00 0.00 O ATOM 681 CB LYS A 55 -12.033 -0.111 -13.798 1.00 0.00 C ATOM 682 CG LYS A 55 -11.048 -0.103 -14.987 1.00 0.00 C ATOM 683 CD LYS A 55 -11.496 -1.013 -16.142 1.00 0.00 C ATOM 684 CE LYS A 55 -10.424 -1.019 -17.245 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.809 -1.856 -18.408 1.00 0.00 N ATOM 0 H LYS A 55 -10.044 -0.525 -12.022 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.693 1.794 -12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.169 -1.138 -13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.005 0.242 -14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.940 0.917 -15.356 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.065 -0.422 -14.640 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.660 -2.027 -15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.445 -0.662 -16.547 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.247 0.003 -17.580 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.485 -1.387 -16.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.054 -1.826 -19.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.953 -2.838 -18.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.691 -1.491 -18.821 1.00 0.00 H new ATOM 695 N GLN A 56 -12.231 -0.548 -10.619 1.00 0.00 N ATOM 696 CA GLN A 56 -12.803 -0.815 -9.294 1.00 0.00 C ATOM 697 C GLN A 56 -12.262 0.133 -8.209 1.00 0.00 C ATOM 698 O GLN A 56 -13.063 0.572 -7.385 1.00 0.00 O ATOM 699 CB GLN A 56 -12.558 -2.290 -8.912 1.00 0.00 C ATOM 700 CG GLN A 56 -13.425 -3.251 -9.747 1.00 0.00 C ATOM 701 CD GLN A 56 -12.933 -4.705 -9.773 1.00 0.00 C ATOM 702 OE1 GLN A 56 -12.529 -5.298 -8.776 1.00 0.00 O ATOM 703 NE2 GLN A 56 -12.973 -5.352 -10.918 1.00 0.00 N ATOM 0 H GLN A 56 -11.638 -1.308 -10.953 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.875 -0.627 -9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.505 -2.532 -9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.775 -2.432 -7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.442 -3.233 -9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.471 -2.880 -10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.305 -4.880 -11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.672 -6.326 -10.964 1.00 0.00 H new ATOM 710 N VAL A 57 -10.967 0.490 -8.208 1.00 0.00 N ATOM 711 CA VAL A 57 -10.341 1.443 -7.249 1.00 0.00 C ATOM 712 C VAL A 57 -9.115 2.137 -7.879 1.00 0.00 C ATOM 713 O VAL A 57 -8.879 2.000 -9.074 1.00 0.00 O ATOM 714 CB VAL A 57 -9.938 0.783 -5.894 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.129 0.235 -5.093 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.876 -0.320 -6.072 1.00 0.00 C ATOM 0 H VAL A 57 -10.302 0.120 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.107 2.186 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.506 1.598 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.770 -0.208 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.818 1.048 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.645 -0.524 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.629 -0.748 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.268 -1.101 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.978 0.108 -6.518 1.00 0.00 H new ATOM 726 N SER A 58 -8.298 2.850 -7.095 1.00 0.00 N ATOM 727 CA SER A 58 -6.965 3.334 -7.482 1.00 0.00 C ATOM 728 C SER A 58 -6.011 3.362 -6.264 1.00 0.00 C ATOM 729 O SER A 58 -6.428 3.037 -5.150 1.00 0.00 O ATOM 730 CB SER A 58 -7.100 4.711 -8.153 1.00 0.00 C ATOM 731 OG SER A 58 -5.877 5.138 -8.735 1.00 0.00 O ATOM 0 H SER A 58 -8.553 3.115 -6.144 1.00 0.00 H new ATOM 0 HA SER A 58 -6.521 2.648 -8.203 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.872 4.666 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.427 5.444 -7.415 1.00 0.00 H new ATOM 0 HG SER A 58 -5.439 5.782 -8.140 1.00 0.00 H new ATOM 736 N GLU A 59 -4.751 3.787 -6.446 1.00 0.00 N ATOM 737 CA GLU A 59 -3.761 4.012 -5.372 1.00 0.00 C ATOM 738 C GLU A 59 -4.308 4.804 -4.162 1.00 0.00 C ATOM 739 O GLU A 59 -3.909 4.541 -3.031 1.00 0.00 O ATOM 740 CB GLU A 59 -2.456 4.640 -5.915 1.00 0.00 C ATOM 741 CG GLU A 59 -2.564 5.683 -7.040 1.00 0.00 C ATOM 742 CD GLU A 59 -3.500 6.842 -6.718 1.00 0.00 C ATOM 743 OE1 GLU A 59 -3.042 7.866 -6.155 1.00 0.00 O ATOM 744 OE2 GLU A 59 -4.699 6.733 -7.074 1.00 0.00 O ATOM 0 H GLU A 59 -4.378 3.991 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.528 3.018 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.937 5.106 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.820 3.830 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.571 6.079 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.911 5.190 -7.948 1.00 0.00 H new ATOM 749 N ILE A 60 -5.284 5.694 -4.368 1.00 0.00 N ATOM 750 CA ILE A 60 -6.118 6.335 -3.332 1.00 0.00 C ATOM 751 C ILE A 60 -6.551 5.363 -2.217 1.00 0.00 C ATOM 752 O ILE A 60 -6.375 5.673 -1.034 1.00 0.00 O ATOM 753 CB ILE A 60 -7.325 6.999 -4.050 1.00 0.00 C ATOM 754 CG1 ILE A 60 -6.872 8.352 -4.651 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.554 7.167 -3.136 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.849 8.943 -5.677 1.00 0.00 C ATOM 0 H ILE A 60 -5.531 6.006 -5.307 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.533 7.092 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.651 6.333 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.735 9.069 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.900 8.219 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.363 7.636 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.879 6.189 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.291 7.794 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.457 9.890 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.968 8.248 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.816 9.112 -5.203 1.00 0.00 H new ATOM 767 N THR A 61 -7.085 4.189 -2.578 1.00 0.00 N ATOM 768 CA THR A 61 -7.646 3.204 -1.637 1.00 0.00 C ATOM 769 C THR A 61 -6.589 2.646 -0.692 1.00 0.00 C ATOM 770 O THR A 61 -6.850 2.516 0.502 1.00 0.00 O ATOM 771 CB THR A 61 -8.376 2.113 -2.432 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.640 2.642 -2.765 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.617 0.810 -1.668 1.00 0.00 C ATOM 0 H THR A 61 -7.141 3.889 -3.551 1.00 0.00 H new ATOM 0 HA THR A 61 -8.370 3.698 -0.989 1.00 0.00 H new ATOM 0 HB THR A 61 -7.746 1.858 -3.284 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.147 1.979 -3.278 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.138 0.102 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.661 0.386 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.224 1.013 -0.786 1.00 0.00 H new ATOM 781 N ILE A 62 -5.383 2.358 -1.187 1.00 0.00 N ATOM 782 CA ILE A 62 -4.258 1.923 -0.339 1.00 0.00 C ATOM 783 C ILE A 62 -3.602 3.112 0.384 1.00 0.00 C ATOM 784 O ILE A 62 -3.187 2.966 1.537 1.00 0.00 O ATOM 785 CB ILE A 62 -3.280 1.027 -1.144 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.134 0.511 -0.245 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.732 1.720 -2.402 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.265 -0.580 -0.883 1.00 0.00 C ATOM 0 H ILE A 62 -5.154 2.417 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.636 1.291 0.465 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.857 0.170 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.496 1.352 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.562 0.123 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.054 1.044 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.559 1.984 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.194 2.623 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.487 -0.882 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.886 -1.442 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.804 -0.193 -1.792 1.00 0.00 H new ATOM 799 N GLN A 63 -3.583 4.305 -0.220 1.00 0.00 N ATOM 800 CA GLN A 63 -3.073 5.522 0.411 1.00 0.00 C ATOM 801 C GLN A 63 -3.842 5.864 1.693 1.00 0.00 C ATOM 802 O GLN A 63 -3.219 6.218 2.691 1.00 0.00 O ATOM 803 CB GLN A 63 -3.126 6.698 -0.579 1.00 0.00 C ATOM 804 CG GLN A 63 -2.173 7.821 -0.148 1.00 0.00 C ATOM 805 CD GLN A 63 -2.432 9.116 -0.907 1.00 0.00 C ATOM 806 OE1 GLN A 63 -1.775 9.431 -1.895 1.00 0.00 O ATOM 807 NE2 GLN A 63 -3.391 9.909 -0.485 1.00 0.00 N ATOM 0 H GLN A 63 -3.925 4.452 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.036 5.340 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.857 6.351 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.144 7.083 -0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.284 8.000 0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.143 7.505 -0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.941 9.653 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.586 10.781 -0.978 1.00 0.00 H new ATOM 814 N GLU A 64 -5.172 5.722 1.709 1.00 0.00 N ATOM 815 CA GLU A 64 -5.981 5.888 2.925 1.00 0.00 C ATOM 816 C GLU A 64 -5.637 4.872 4.023 1.00 0.00 C ATOM 817 O GLU A 64 -5.727 5.214 5.200 1.00 0.00 O ATOM 818 CB GLU A 64 -7.479 5.839 2.570 1.00 0.00 C ATOM 819 CG GLU A 64 -7.977 7.126 1.895 1.00 0.00 C ATOM 820 CD GLU A 64 -7.965 8.317 2.855 1.00 0.00 C ATOM 821 OE1 GLU A 64 -8.940 8.503 3.625 1.00 0.00 O ATOM 822 OE2 GLU A 64 -6.972 9.081 2.873 1.00 0.00 O ATOM 0 H GLU A 64 -5.719 5.489 0.880 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.741 6.867 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.662 4.993 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.057 5.664 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.349 7.349 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.989 6.971 1.521 1.00 0.00 H new ATOM 827 N ARG A 65 -5.188 3.655 3.697 1.00 0.00 N ATOM 828 CA ARG A 65 -4.758 2.671 4.703 1.00 0.00 C ATOM 829 C ARG A 65 -3.357 2.970 5.247 1.00 0.00 C ATOM 830 O ARG A 65 -3.145 2.809 6.447 1.00 0.00 O ATOM 831 CB ARG A 65 -4.923 1.260 4.109 1.00 0.00 C ATOM 832 CG ARG A 65 -4.495 0.070 4.989 1.00 0.00 C ATOM 833 CD ARG A 65 -4.928 0.091 6.462 1.00 0.00 C ATOM 834 NE ARG A 65 -6.371 0.321 6.652 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.980 0.357 7.830 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.346 0.088 8.950 1.00 0.00 N ATOM 837 NH2 ARG A 65 -8.249 0.683 7.886 1.00 0.00 N ATOM 0 H ARG A 65 -5.112 3.323 2.735 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.394 2.736 5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.972 1.125 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.353 1.216 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.885 -0.842 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.408 0.002 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.656 -0.858 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.373 0.871 6.984 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.942 0.463 5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.356 -0.157 8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.844 0.125 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.757 0.905 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.728 0.714 8.786 1.00 0.00 H new ATOM 848 N ILE A 66 -2.416 3.477 4.444 1.00 0.00 N ATOM 849 CA ILE A 66 -1.140 3.986 4.997 1.00 0.00 C ATOM 850 C ILE A 66 -1.369 5.260 5.831 1.00 0.00 C ATOM 851 O ILE A 66 -0.833 5.368 6.934 1.00 0.00 O ATOM 852 CB ILE A 66 -0.057 4.140 3.898 1.00 0.00 C ATOM 853 CG1 ILE A 66 0.534 2.772 3.465 1.00 0.00 C ATOM 854 CG2 ILE A 66 1.128 4.975 4.409 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.307 2.015 2.437 1.00 0.00 C ATOM 0 H ILE A 66 -2.502 3.549 3.430 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.742 3.242 5.687 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.557 4.622 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.530 2.935 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.654 2.146 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.874 5.069 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.777 5.966 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.574 4.483 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.180 1.071 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.295 1.816 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.406 2.617 1.534 1.00 0.00 H new ATOM 866 N ALA A 67 -2.197 6.192 5.351 1.00 0.00 N ATOM 867 CA ALA A 67 -2.497 7.440 6.051 1.00 0.00 C ATOM 868 C ALA A 67 -3.248 7.217 7.378 1.00 0.00 C ATOM 869 O ALA A 67 -3.009 7.937 8.346 1.00 0.00 O ATOM 870 CB ALA A 67 -3.313 8.330 5.113 1.00 0.00 C ATOM 0 H ALA A 67 -2.681 6.099 4.458 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.556 7.920 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.549 9.268 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.735 8.536 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.238 7.821 4.842 1.00 0.00 H new ATOM 876 N ALA A 68 -4.138 6.220 7.451 1.00 0.00 N ATOM 877 CA ALA A 68 -4.917 5.906 8.653 1.00 0.00 C ATOM 878 C ALA A 68 -4.086 5.283 9.790 1.00 0.00 C ATOM 879 O ALA A 68 -4.484 5.394 10.954 1.00 0.00 O ATOM 880 CB ALA A 68 -6.089 5.011 8.244 1.00 0.00 C ATOM 0 H ALA A 68 -4.339 5.601 6.666 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.285 6.842 9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.683 4.765 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.713 5.536 7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.707 4.094 7.796 1.00 0.00 H new ATOM 886 N LEU A 69 -2.917 4.695 9.491 1.00 0.00 N ATOM 887 CA LEU A 69 -1.893 4.396 10.514 1.00 0.00 C ATOM 888 C LEU A 69 -1.185 5.653 11.057 1.00 0.00 C ATOM 889 O LEU A 69 -0.507 5.582 12.084 1.00 0.00 O ATOM 890 CB LEU A 69 -0.822 3.435 9.968 1.00 0.00 C ATOM 891 CG LEU A 69 -1.291 2.047 9.496 1.00 0.00 C ATOM 892 CD1 LEU A 69 -0.051 1.144 9.404 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.338 1.388 10.406 1.00 0.00 C ATOM 0 H LEU A 69 -2.653 4.415 8.546 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.439 3.931 11.335 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.325 3.925 9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.071 3.291 10.745 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.784 2.179 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.349 0.150 9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.656 1.568 8.691 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.420 1.072 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.612 0.414 10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.922 1.260 11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.224 2.021 10.460 1.00 0.00 H new ATOM 904 N GLY A 70 -1.297 6.795 10.376 1.00 0.00 N ATOM 905 CA GLY A 70 -0.559 8.029 10.668 1.00 0.00 C ATOM 906 C GLY A 70 0.756 8.161 9.894 1.00 0.00 C ATOM 907 O GLY A 70 1.545 9.063 10.181 1.00 0.00 O ATOM 0 H GLY A 70 -1.925 6.891 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.194 8.884 10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.347 8.070 11.736 1.00 0.00 H new ATOM 911 N TYR A 71 1.023 7.274 8.932 1.00 0.00 N ATOM 912 CA TYR A 71 2.165 7.372 8.011 1.00 0.00 C ATOM 913 C TYR A 71 1.761 8.067 6.690 1.00 0.00 C ATOM 914 O TYR A 71 0.702 8.694 6.623 1.00 0.00 O ATOM 915 CB TYR A 71 2.775 5.970 7.828 1.00 0.00 C ATOM 916 CG TYR A 71 3.338 5.352 9.100 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.243 6.072 9.909 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.965 4.047 9.472 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.762 5.500 11.088 1.00 0.00 C ATOM 920 CE2 TYR A 71 3.483 3.468 10.646 1.00 0.00 C ATOM 921 CZ TYR A 71 4.384 4.191 11.461 1.00 0.00 C ATOM 922 OH TYR A 71 4.868 3.630 12.605 1.00 0.00 O ATOM 0 H TYR A 71 0.443 6.452 8.766 1.00 0.00 H new ATOM 0 HA TYR A 71 2.942 8.011 8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.011 5.306 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.571 6.029 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.540 7.070 9.622 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.278 3.487 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.448 6.062 11.705 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.191 2.467 10.925 1.00 0.00 H new ATOM 0 HH TYR A 71 4.605 2.687 12.643 1.00 0.00 H new ATOM 931 N THR A 72 2.606 8.000 5.651 1.00 0.00 N ATOM 932 CA THR A 72 2.393 8.666 4.349 1.00 0.00 C ATOM 933 C THR A 72 3.014 7.806 3.248 1.00 0.00 C ATOM 934 O THR A 72 4.069 7.225 3.479 1.00 0.00 O ATOM 935 CB THR A 72 3.064 10.052 4.327 1.00 0.00 C ATOM 936 OG1 THR A 72 2.819 10.753 5.523 1.00 0.00 O ATOM 937 CG2 THR A 72 2.549 10.932 3.190 1.00 0.00 C ATOM 0 H THR A 72 3.477 7.471 5.689 1.00 0.00 H new ATOM 0 HA THR A 72 1.322 8.789 4.190 1.00 0.00 H new ATOM 0 HB THR A 72 4.128 9.856 4.193 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.257 11.629 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.054 11.897 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.750 10.447 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.475 11.081 3.303 1.00 0.00 H new ATOM 945 N LEU A 73 2.403 7.723 2.064 1.00 0.00 N ATOM 946 CA LEU A 73 2.889 6.912 0.931 1.00 0.00 C ATOM 947 C LEU A 73 3.786 7.723 -0.028 1.00 0.00 C ATOM 948 O LEU A 73 3.640 8.944 -0.133 1.00 0.00 O ATOM 949 CB LEU A 73 1.652 6.334 0.212 1.00 0.00 C ATOM 950 CG LEU A 73 1.860 5.114 -0.704 1.00 0.00 C ATOM 951 CD1 LEU A 73 2.406 3.913 0.082 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.499 4.752 -1.324 1.00 0.00 C ATOM 0 H LEU A 73 1.540 8.225 1.856 1.00 0.00 H new ATOM 0 HA LEU A 73 3.522 6.105 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.920 6.061 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.209 7.131 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 73 2.589 5.361 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.542 3.068 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.364 4.177 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.700 3.641 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.616 3.889 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.210 4.512 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.126 5.598 -1.901 1.00 0.00 H new ATOM 963 N ALA A 74 4.691 7.052 -0.755 1.00 0.00 N ATOM 964 CA ALA A 74 5.576 7.666 -1.757 1.00 0.00 C ATOM 965 C ALA A 74 5.415 7.047 -3.167 1.00 0.00 C ATOM 966 O ALA A 74 6.407 6.795 -3.863 1.00 0.00 O ATOM 967 CB ALA A 74 7.018 7.627 -1.221 1.00 0.00 C ATOM 0 H ALA A 74 4.832 6.046 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 74 5.290 8.707 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.690 8.078 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.073 8.182 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.314 6.592 -1.047 1.00 0.00 H new ATOM 973 N GLU A 75 4.169 6.815 -3.600 1.00 0.00 N ATOM 974 CA GLU A 75 3.825 6.603 -5.016 1.00 0.00 C ATOM 975 C GLU A 75 3.797 8.016 -5.638 1.00 0.00 C ATOM 976 O GLU A 75 3.029 8.852 -5.144 1.00 0.00 O ATOM 977 CB GLU A 75 2.458 5.876 -5.144 1.00 0.00 C ATOM 978 CG GLU A 75 2.394 4.767 -6.208 1.00 0.00 C ATOM 979 CD GLU A 75 2.583 5.243 -7.644 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.686 5.922 -8.193 1.00 0.00 O ATOM 981 OE2 GLU A 75 3.625 4.912 -8.254 1.00 0.00 O ATOM 0 H GLU A 75 3.364 6.768 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 75 4.543 5.964 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.205 5.442 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.692 6.617 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.159 4.024 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.430 4.265 -6.131 1.00 0.00 H new ATOM 986 N PRO A 76 4.676 8.357 -6.600 1.00 0.00 N ATOM 987 CA PRO A 76 4.986 9.760 -6.907 1.00 0.00 C ATOM 988 C PRO A 76 3.956 10.493 -7.789 1.00 0.00 C ATOM 989 O PRO A 76 4.274 11.630 -8.209 1.00 0.00 O ATOM 990 CB PRO A 76 6.394 9.724 -7.527 1.00 0.00 C ATOM 991 CG PRO A 76 6.473 8.345 -8.170 1.00 0.00 C ATOM 992 CD PRO A 76 5.687 7.487 -7.186 1.00 0.00 C ATOM 0 HA PRO A 76 4.943 10.358 -5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.527 10.517 -8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.168 9.858 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.029 8.334 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.503 8.003 -8.276 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.224 6.640 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.342 7.079 -6.416 1.00 0.00 H new TER 997 PRO A 76