USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 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 10 GLN : amide:sc= 1.99 K(o=3,f=-0.66) USER MOD Set 1.2: A 52 TYR OH : rot 12:sc= 0.974 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.66) USER MOD Single : A 12 MET CE :methyl -163:sc= -0.0214 (180deg=-0.261) USER MOD Single : A 13 GLN : amide:sc= 0.46 K(o=0.46,f=-5.1!) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.343 (180deg=-0.411) USER MOD Single : A 19 CYS SG : rot 85:sc= 0.362 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00292 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 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= -0.0904 X(o=-0.09,f=-0.09) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 150:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -7.560 -3.633 -17.597 1.00 0.00 N ATOM 2 CA PRO A 6 -6.561 -4.540 -17.001 1.00 0.00 C ATOM 3 C PRO A 6 -6.068 -4.090 -15.626 1.00 0.00 C ATOM 4 O PRO A 6 -5.983 -2.886 -15.374 1.00 0.00 O ATOM 5 CB PRO A 6 -5.440 -4.702 -18.026 1.00 0.00 C ATOM 6 CG PRO A 6 -6.273 -4.822 -19.299 1.00 0.00 C ATOM 7 CD PRO A 6 -7.427 -3.844 -19.057 1.00 0.00 C ATOM 0 HA PRO A 6 -7.017 -5.507 -16.790 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.765 -3.846 -18.047 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.829 -5.585 -17.841 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.696 -4.553 -20.184 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.633 -5.840 -19.450 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.234 -2.897 -19.561 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.354 -4.242 -19.469 1.00 0.00 H new ATOM 13 N LEU A 7 -5.705 -5.035 -14.751 1.00 0.00 N ATOM 14 CA LEU A 7 -5.015 -4.742 -13.496 1.00 0.00 C ATOM 15 C LEU A 7 -3.502 -4.643 -13.730 1.00 0.00 C ATOM 16 O LEU A 7 -2.983 -5.098 -14.755 1.00 0.00 O ATOM 17 CB LEU A 7 -5.449 -5.733 -12.392 1.00 0.00 C ATOM 18 CG LEU A 7 -4.803 -7.134 -12.349 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.422 -7.916 -11.180 1.00 0.00 C ATOM 20 CD2 LEU A 7 -5.000 -7.944 -13.630 1.00 0.00 C ATOM 0 H LEU A 7 -5.884 -6.028 -14.897 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.309 -3.762 -13.122 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.264 -5.256 -11.430 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.527 -5.870 -12.478 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.730 -6.986 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.978 -8.910 -11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.230 -7.387 -10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.498 -8.006 -11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.518 -8.916 -13.524 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.066 -8.085 -13.811 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.557 -7.410 -14.470 1.00 0.00 H new ATOM 31 N LYS A 8 -2.795 -4.016 -12.794 1.00 0.00 N ATOM 32 CA LYS A 8 -1.369 -3.694 -12.927 1.00 0.00 C ATOM 33 C LYS A 8 -0.612 -3.901 -11.610 1.00 0.00 C ATOM 34 O LYS A 8 -1.088 -3.461 -10.562 1.00 0.00 O ATOM 35 CB LYS A 8 -1.211 -2.254 -13.460 1.00 0.00 C ATOM 36 CG LYS A 8 -1.936 -1.177 -12.629 1.00 0.00 C ATOM 37 CD LYS A 8 -1.777 0.218 -13.246 1.00 0.00 C ATOM 38 CE LYS A 8 -2.336 1.268 -12.280 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.219 2.635 -12.834 1.00 0.00 N ATOM 0 H LYS A 8 -3.198 -3.711 -11.908 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.923 -4.382 -13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.149 -2.010 -13.499 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.585 -2.217 -14.483 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.995 -1.425 -12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.540 -1.173 -11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.726 0.419 -13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.303 0.268 -14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.383 1.049 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.801 1.212 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.607 3.320 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.218 2.853 -13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.750 2.695 -13.726 1.00 0.00 H new ATOM 49 N THR A 9 0.567 -4.540 -11.663 1.00 0.00 N ATOM 50 CA THR A 9 1.510 -4.611 -10.531 1.00 0.00 C ATOM 51 C THR A 9 2.374 -3.354 -10.493 1.00 0.00 C ATOM 52 O THR A 9 2.745 -2.835 -11.545 1.00 0.00 O ATOM 53 CB THR A 9 2.336 -5.904 -10.562 1.00 0.00 C ATOM 54 OG1 THR A 9 3.178 -5.926 -9.433 1.00 0.00 O ATOM 55 CG2 THR A 9 3.210 -6.092 -11.801 1.00 0.00 C ATOM 0 H THR A 9 0.897 -5.026 -12.497 1.00 0.00 H new ATOM 0 HA THR A 9 0.943 -4.647 -9.601 1.00 0.00 H new ATOM 0 HB THR A 9 1.608 -6.715 -10.574 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.711 -6.748 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.752 -7.035 -11.724 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.581 -6.106 -12.691 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.922 -5.269 -11.873 1.00 0.00 H new ATOM 63 N GLN A 10 2.727 -2.872 -9.301 1.00 0.00 N ATOM 64 CA GLN A 10 3.637 -1.745 -9.108 1.00 0.00 C ATOM 65 C GLN A 10 4.157 -1.695 -7.671 1.00 0.00 C ATOM 66 O GLN A 10 3.663 -2.410 -6.792 1.00 0.00 O ATOM 67 CB GLN A 10 2.983 -0.399 -9.495 1.00 0.00 C ATOM 68 CG GLN A 10 1.923 0.111 -8.500 1.00 0.00 C ATOM 69 CD GLN A 10 1.602 1.581 -8.753 1.00 0.00 C ATOM 70 OE1 GLN A 10 0.551 1.926 -9.281 1.00 0.00 O ATOM 71 NE2 GLN A 10 2.503 2.486 -8.433 1.00 0.00 N ATOM 0 H GLN A 10 2.380 -3.263 -8.425 1.00 0.00 H new ATOM 0 HA GLN A 10 4.483 -1.904 -9.776 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.764 0.355 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.520 -0.504 -10.476 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.015 -0.485 -8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.285 -0.016 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.378 2.201 -7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.326 3.472 -8.625 1.00 0.00 H new ATOM 78 N GLN A 11 5.097 -0.776 -7.440 1.00 0.00 N ATOM 79 CA GLN A 11 5.628 -0.440 -6.126 1.00 0.00 C ATOM 80 C GLN A 11 5.311 1.019 -5.745 1.00 0.00 C ATOM 81 O GLN A 11 4.805 1.800 -6.558 1.00 0.00 O ATOM 82 CB GLN A 11 7.152 -0.682 -6.111 1.00 0.00 C ATOM 83 CG GLN A 11 7.573 -2.152 -6.297 1.00 0.00 C ATOM 84 CD GLN A 11 7.635 -2.602 -7.756 1.00 0.00 C ATOM 85 OE1 GLN A 11 6.841 -3.402 -8.231 1.00 0.00 O ATOM 86 NE2 GLN A 11 8.600 -2.139 -8.519 1.00 0.00 N ATOM 0 H GLN A 11 5.521 -0.230 -8.190 1.00 0.00 H new ATOM 0 HA GLN A 11 5.149 -1.082 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.609 -0.085 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.554 -0.320 -5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.552 -2.299 -5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.871 -2.791 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.272 -1.471 -8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.676 -2.448 -9.488 1.00 0.00 H new ATOM 93 N MET A 12 5.667 1.385 -4.507 1.00 0.00 N ATOM 94 CA MET A 12 5.681 2.755 -3.984 1.00 0.00 C ATOM 95 C MET A 12 6.633 2.906 -2.791 1.00 0.00 C ATOM 96 O MET A 12 6.879 1.949 -2.048 1.00 0.00 O ATOM 97 CB MET A 12 4.271 3.234 -3.594 1.00 0.00 C ATOM 98 CG MET A 12 3.552 2.334 -2.572 1.00 0.00 C ATOM 99 SD MET A 12 2.447 1.089 -3.296 1.00 0.00 S ATOM 100 CE MET A 12 1.132 2.153 -3.947 1.00 0.00 C ATOM 0 H MET A 12 5.967 0.702 -3.812 1.00 0.00 H new ATOM 0 HA MET A 12 6.047 3.385 -4.794 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.343 4.242 -3.185 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.661 3.299 -4.495 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.302 1.825 -1.967 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.973 2.965 -1.898 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.245 1.553 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.890 2.922 -3.214 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.469 2.625 -4.870 1.00 0.00 H new ATOM 108 N GLN A 13 7.101 4.137 -2.574 1.00 0.00 N ATOM 109 CA GLN A 13 7.745 4.552 -1.332 1.00 0.00 C ATOM 110 C GLN A 13 6.666 4.966 -0.323 1.00 0.00 C ATOM 111 O GLN A 13 5.626 5.514 -0.695 1.00 0.00 O ATOM 112 CB GLN A 13 8.731 5.708 -1.579 1.00 0.00 C ATOM 113 CG GLN A 13 10.035 5.275 -2.267 1.00 0.00 C ATOM 114 CD GLN A 13 9.852 4.761 -3.693 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.067 3.592 -3.988 1.00 0.00 O ATOM 116 NE2 GLN A 13 9.460 5.587 -4.638 1.00 0.00 N ATOM 0 H GLN A 13 7.041 4.882 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 13 8.317 3.716 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.242 6.465 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.973 6.177 -0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.722 6.121 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.506 4.494 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.275 6.565 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.341 5.250 -5.593 1.00 0.00 H new ATOM 123 N VAL A 14 6.914 4.697 0.956 1.00 0.00 N ATOM 124 CA VAL A 14 5.953 4.798 2.065 1.00 0.00 C ATOM 125 C VAL A 14 6.736 5.007 3.374 1.00 0.00 C ATOM 126 O VAL A 14 7.893 4.598 3.482 1.00 0.00 O ATOM 127 CB VAL A 14 5.028 3.543 2.124 1.00 0.00 C ATOM 128 CG1 VAL A 14 4.214 3.442 3.428 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.027 3.497 0.957 1.00 0.00 C ATOM 0 H VAL A 14 7.834 4.387 1.269 1.00 0.00 H new ATOM 0 HA VAL A 14 5.294 5.652 1.910 1.00 0.00 H new ATOM 0 HB VAL A 14 5.722 2.704 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.593 2.546 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.894 3.387 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.578 4.321 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.407 2.605 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.393 4.383 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.570 3.470 0.012 1.00 0.00 H new ATOM 139 N GLY A 15 6.099 5.650 4.363 1.00 0.00 N ATOM 140 CA GLY A 15 6.659 5.902 5.700 1.00 0.00 C ATOM 141 C GLY A 15 6.895 4.640 6.542 1.00 0.00 C ATOM 142 O GLY A 15 7.020 3.534 6.016 1.00 0.00 O ATOM 0 H GLY A 15 5.155 6.019 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.605 6.431 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.985 6.564 6.243 1.00 0.00 H new ATOM 146 N GLY A 16 6.979 4.800 7.868 1.00 0.00 N ATOM 147 CA GLY A 16 7.596 3.855 8.825 1.00 0.00 C ATOM 148 C GLY A 16 6.902 2.507 9.082 1.00 0.00 C ATOM 149 O GLY A 16 7.077 1.941 10.160 1.00 0.00 O ATOM 0 H GLY A 16 6.603 5.628 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.607 3.645 8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.688 4.367 9.783 1.00 0.00 H new ATOM 153 N MET A 17 6.155 1.947 8.123 1.00 0.00 N ATOM 154 CA MET A 17 5.475 0.643 8.238 1.00 0.00 C ATOM 155 C MET A 17 6.394 -0.545 8.576 1.00 0.00 C ATOM 156 O MET A 17 5.895 -1.560 9.056 1.00 0.00 O ATOM 157 CB MET A 17 4.651 0.365 6.968 1.00 0.00 C ATOM 158 CG MET A 17 5.514 0.184 5.712 1.00 0.00 C ATOM 159 SD MET A 17 4.551 -0.078 4.205 1.00 0.00 S ATOM 160 CE MET A 17 5.924 -0.009 3.030 1.00 0.00 C ATOM 0 H MET A 17 6.000 2.397 7.221 1.00 0.00 H new ATOM 0 HA MET A 17 4.815 0.729 9.101 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.052 -0.533 7.121 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.956 1.189 6.807 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.143 1.065 5.583 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.181 -0.665 5.859 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.535 -0.061 2.013 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.470 0.925 3.162 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.596 -0.849 3.206 1.00 0.00 H new ATOM 168 N ARG A 18 7.719 -0.420 8.403 1.00 0.00 N ATOM 169 CA ARG A 18 8.712 -1.415 8.848 1.00 0.00 C ATOM 170 C ARG A 18 8.759 -1.656 10.372 1.00 0.00 C ATOM 171 O ARG A 18 9.365 -2.637 10.809 1.00 0.00 O ATOM 172 CB ARG A 18 10.104 -1.049 8.300 1.00 0.00 C ATOM 173 CG ARG A 18 10.659 0.249 8.909 1.00 0.00 C ATOM 174 CD ARG A 18 11.990 0.668 8.279 1.00 0.00 C ATOM 175 NE ARG A 18 12.430 1.960 8.828 1.00 0.00 N ATOM 176 CZ ARG A 18 13.546 2.606 8.520 1.00 0.00 C ATOM 177 NH1 ARG A 18 14.441 2.127 7.687 1.00 0.00 N ATOM 178 NH2 ARG A 18 13.815 3.780 9.043 1.00 0.00 N ATOM 0 H ARG A 18 8.139 0.388 7.943 1.00 0.00 H new ATOM 0 HA ARG A 18 8.383 -2.368 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.796 -1.866 8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.047 -0.942 7.217 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.930 1.049 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.795 0.114 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.746 -0.093 8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.880 0.743 7.197 1.00 0.00 H new ATOM 0 HE ARG A 18 11.816 2.402 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.293 1.220 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.285 2.662 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.161 4.209 9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.678 4.263 8.795 1.00 0.00 H new ATOM 189 N CYS A 19 8.121 -0.803 11.184 1.00 0.00 N ATOM 190 CA CYS A 19 7.914 -1.019 12.623 1.00 0.00 C ATOM 191 C CYS A 19 7.249 -2.381 12.928 1.00 0.00 C ATOM 192 O CYS A 19 6.547 -2.943 12.080 1.00 0.00 O ATOM 193 CB CYS A 19 7.079 0.147 13.171 1.00 0.00 C ATOM 194 SG CYS A 19 8.054 1.679 13.169 1.00 0.00 S ATOM 0 H CYS A 19 7.725 0.076 10.852 1.00 0.00 H new ATOM 0 HA CYS A 19 8.885 -1.049 13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.183 0.278 12.564 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.747 -0.079 14.184 1.00 0.00 H new ATOM 0 HG CYS A 19 7.972 2.244 12.001 1.00 0.00 H new ATOM 199 N ALA A 20 7.464 -2.911 14.136 1.00 0.00 N ATOM 200 CA ALA A 20 7.047 -4.261 14.541 1.00 0.00 C ATOM 201 C ALA A 20 5.548 -4.533 14.282 1.00 0.00 C ATOM 202 O ALA A 20 4.679 -3.888 14.873 1.00 0.00 O ATOM 203 CB ALA A 20 7.425 -4.464 16.015 1.00 0.00 C ATOM 0 H ALA A 20 7.944 -2.403 14.879 1.00 0.00 H new ATOM 0 HA ALA A 20 7.572 -4.990 13.924 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.123 -5.462 16.334 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.503 -4.356 16.132 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.917 -3.718 16.627 1.00 0.00 H new ATOM 209 N ALA A 21 5.263 -5.470 13.370 1.00 0.00 N ATOM 210 CA ALA A 21 3.939 -5.898 12.896 1.00 0.00 C ATOM 211 C ALA A 21 3.132 -4.832 12.118 1.00 0.00 C ATOM 212 O ALA A 21 2.041 -5.141 11.633 1.00 0.00 O ATOM 213 CB ALA A 21 3.139 -6.513 14.056 1.00 0.00 C ATOM 0 H ALA A 21 6.009 -5.990 12.908 1.00 0.00 H new ATOM 0 HA ALA A 21 4.125 -6.662 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.159 -6.827 13.696 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.675 -7.376 14.450 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.015 -5.772 14.845 1.00 0.00 H new ATOM 219 N CYS A 22 3.624 -3.598 11.949 1.00 0.00 N ATOM 220 CA CYS A 22 2.890 -2.529 11.250 1.00 0.00 C ATOM 221 C CYS A 22 2.716 -2.807 9.748 1.00 0.00 C ATOM 222 O CYS A 22 1.667 -2.489 9.185 1.00 0.00 O ATOM 223 CB CYS A 22 3.575 -1.181 11.519 1.00 0.00 C ATOM 224 SG CYS A 22 3.462 -0.785 13.288 1.00 0.00 S ATOM 0 H CYS A 22 4.541 -3.310 12.292 1.00 0.00 H new ATOM 0 HA CYS A 22 1.876 -2.494 11.649 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.620 -1.224 11.211 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.101 -0.396 10.929 1.00 0.00 H new ATOM 0 HG CYS A 22 4.044 0.355 13.515 1.00 0.00 H new ATOM 229 N ALA A 23 3.672 -3.507 9.132 1.00 0.00 N ATOM 230 CA ALA A 23 3.553 -4.114 7.810 1.00 0.00 C ATOM 231 C ALA A 23 2.265 -4.943 7.658 1.00 0.00 C ATOM 232 O ALA A 23 1.627 -4.895 6.613 1.00 0.00 O ATOM 233 CB ALA A 23 4.795 -4.987 7.621 1.00 0.00 C ATOM 0 H ALA A 23 4.584 -3.671 9.559 1.00 0.00 H new ATOM 0 HA ALA A 23 3.490 -3.339 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.757 -5.467 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.689 -4.367 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.825 -5.750 8.399 1.00 0.00 H new ATOM 239 N SER A 24 1.825 -5.642 8.704 1.00 0.00 N ATOM 240 CA SER A 24 0.616 -6.480 8.665 1.00 0.00 C ATOM 241 C SER A 24 -0.669 -5.646 8.758 1.00 0.00 C ATOM 242 O SER A 24 -1.676 -5.984 8.144 1.00 0.00 O ATOM 243 CB SER A 24 0.659 -7.506 9.804 1.00 0.00 C ATOM 244 OG SER A 24 1.924 -8.145 9.865 1.00 0.00 O ATOM 0 H SER A 24 2.296 -5.646 9.609 1.00 0.00 H new ATOM 0 HA SER A 24 0.602 -6.994 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.452 -7.011 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.122 -8.252 9.656 1.00 0.00 H new ATOM 0 HG SER A 24 1.928 -8.793 10.600 1.00 0.00 H new ATOM 249 N SER A 25 -0.619 -4.509 9.452 1.00 0.00 N ATOM 250 CA SER A 25 -1.706 -3.520 9.518 1.00 0.00 C ATOM 251 C SER A 25 -1.930 -2.805 8.180 1.00 0.00 C ATOM 252 O SER A 25 -3.025 -2.320 7.893 1.00 0.00 O ATOM 253 CB SER A 25 -1.423 -2.494 10.629 1.00 0.00 C ATOM 254 OG SER A 25 -1.037 -3.088 11.866 1.00 0.00 O ATOM 0 H SER A 25 0.198 -4.239 10.000 1.00 0.00 H new ATOM 0 HA SER A 25 -2.622 -4.064 9.748 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.634 -1.819 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.315 -1.888 10.789 1.00 0.00 H new ATOM 0 HG SER A 25 -0.870 -2.385 12.528 1.00 0.00 H new ATOM 259 N ILE A 26 -0.916 -2.799 7.313 1.00 0.00 N ATOM 260 CA ILE A 26 -1.094 -2.538 5.884 1.00 0.00 C ATOM 261 C ILE A 26 -1.587 -3.811 5.181 1.00 0.00 C ATOM 262 O ILE A 26 -2.693 -3.822 4.647 1.00 0.00 O ATOM 263 CB ILE A 26 0.219 -1.968 5.293 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.706 -0.684 6.008 1.00 0.00 C ATOM 265 CG2 ILE A 26 0.097 -1.718 3.784 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.352 0.419 6.156 1.00 0.00 C ATOM 0 H ILE A 26 0.052 -2.975 7.582 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.862 -1.781 5.722 1.00 0.00 H new ATOM 0 HB ILE A 26 0.973 -2.736 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.068 -0.954 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.555 -0.280 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.037 -1.318 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.130 -2.656 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.703 -1.002 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.085 1.276 6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.699 0.725 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.194 0.040 6.736 1.00 0.00 H new ATOM 277 N GLU A 27 -0.790 -4.878 5.191 1.00 0.00 N ATOM 278 CA GLU A 27 -0.872 -5.992 4.240 1.00 0.00 C ATOM 279 C GLU A 27 -2.110 -6.885 4.421 1.00 0.00 C ATOM 280 O GLU A 27 -2.654 -7.364 3.421 1.00 0.00 O ATOM 281 CB GLU A 27 0.423 -6.821 4.334 1.00 0.00 C ATOM 282 CG GLU A 27 0.553 -7.852 3.205 1.00 0.00 C ATOM 283 CD GLU A 27 1.860 -8.636 3.275 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.949 -8.024 3.249 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.807 -9.891 3.277 1.00 0.00 O ATOM 0 H GLU A 27 -0.047 -4.998 5.880 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.982 -5.559 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.281 -6.150 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.451 -7.336 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.286 -8.546 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.490 -7.342 2.243 1.00 0.00 H new ATOM 290 N ARG A 28 -2.568 -7.106 5.662 1.00 0.00 N ATOM 291 CA ARG A 28 -3.765 -7.914 5.937 1.00 0.00 C ATOM 292 C ARG A 28 -5.036 -7.091 5.718 1.00 0.00 C ATOM 293 O ARG A 28 -5.932 -7.510 4.984 1.00 0.00 O ATOM 294 CB ARG A 28 -3.701 -8.486 7.361 1.00 0.00 C ATOM 295 CG ARG A 28 -4.813 -9.524 7.602 1.00 0.00 C ATOM 296 CD ARG A 28 -4.829 -10.067 9.036 1.00 0.00 C ATOM 297 NE ARG A 28 -3.566 -10.735 9.390 1.00 0.00 N ATOM 298 CZ ARG A 28 -2.605 -10.265 10.179 1.00 0.00 C ATOM 299 NH1 ARG A 28 -2.661 -9.084 10.762 1.00 0.00 N ATOM 300 NH2 ARG A 28 -1.541 -11.008 10.381 1.00 0.00 N ATOM 0 H ARG A 28 -2.122 -6.732 6.499 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.794 -8.750 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.728 -8.949 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.795 -7.676 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.779 -9.070 7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.684 -10.354 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.012 -9.248 9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.654 -10.770 9.147 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.411 -11.659 8.986 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.471 -8.481 10.617 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.894 -8.773 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.466 -11.923 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.790 -10.670 10.982 1.00 0.00 H new ATOM 311 N ALA A 29 -5.108 -5.880 6.282 1.00 0.00 N ATOM 312 CA ALA A 29 -6.255 -4.989 6.090 1.00 0.00 C ATOM 313 C ALA A 29 -6.473 -4.615 4.615 1.00 0.00 C ATOM 314 O ALA A 29 -7.615 -4.473 4.192 1.00 0.00 O ATOM 315 CB ALA A 29 -6.077 -3.741 6.947 1.00 0.00 C ATOM 0 H ALA A 29 -4.378 -5.493 6.880 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.150 -5.525 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.930 -3.077 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.011 -4.027 7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.163 -3.225 6.653 1.00 0.00 H new ATOM 321 N LEU A 30 -5.411 -4.542 3.805 1.00 0.00 N ATOM 322 CA LEU A 30 -5.478 -4.384 2.347 1.00 0.00 C ATOM 323 C LEU A 30 -6.285 -5.500 1.645 1.00 0.00 C ATOM 324 O LEU A 30 -6.833 -5.263 0.571 1.00 0.00 O ATOM 325 CB LEU A 30 -4.019 -4.236 1.870 1.00 0.00 C ATOM 326 CG LEU A 30 -3.737 -4.032 0.372 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.510 -2.856 -0.237 1.00 0.00 C ATOM 328 CD2 LEU A 30 -2.234 -3.763 0.199 1.00 0.00 C ATOM 0 H LEU A 30 -4.454 -4.593 4.155 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.046 -3.496 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.583 -3.392 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.478 -5.127 2.187 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.061 -4.935 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.265 -2.768 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.581 -3.028 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.235 -1.935 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.010 -3.615 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.958 -2.868 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.666 -4.615 0.574 1.00 0.00 H new ATOM 339 N GLU A 31 -6.475 -6.673 2.261 1.00 0.00 N ATOM 340 CA GLU A 31 -7.437 -7.683 1.789 1.00 0.00 C ATOM 341 C GLU A 31 -8.871 -7.394 2.267 1.00 0.00 C ATOM 342 O GLU A 31 -9.816 -7.578 1.498 1.00 0.00 O ATOM 343 CB GLU A 31 -7.008 -9.097 2.212 1.00 0.00 C ATOM 344 CG GLU A 31 -5.592 -9.423 1.731 1.00 0.00 C ATOM 345 CD GLU A 31 -5.278 -10.910 1.867 1.00 0.00 C ATOM 346 OE1 GLU A 31 -5.086 -11.402 3.002 1.00 0.00 O ATOM 347 OE2 GLU A 31 -5.182 -11.613 0.833 1.00 0.00 O ATOM 0 H GLU A 31 -5.967 -6.951 3.101 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.438 -7.627 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.053 -9.182 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.708 -9.827 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.483 -9.122 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.870 -8.844 2.307 1.00 0.00 H new ATOM 352 N ARG A 32 -9.039 -6.852 3.484 1.00 0.00 N ATOM 353 CA ARG A 32 -10.325 -6.399 4.044 1.00 0.00 C ATOM 354 C ARG A 32 -10.855 -5.146 3.322 1.00 0.00 C ATOM 355 O ARG A 32 -12.037 -4.805 3.452 1.00 0.00 O ATOM 356 CB ARG A 32 -10.192 -6.095 5.551 1.00 0.00 C ATOM 357 CG ARG A 32 -9.556 -7.191 6.421 1.00 0.00 C ATOM 358 CD ARG A 32 -10.435 -8.437 6.581 1.00 0.00 C ATOM 359 NE ARG A 32 -9.739 -9.443 7.403 1.00 0.00 N ATOM 360 CZ ARG A 32 -8.866 -10.340 6.960 1.00 0.00 C ATOM 361 NH1 ARG A 32 -8.651 -10.517 5.679 1.00 0.00 N ATOM 362 NH2 ARG A 32 -8.179 -11.083 7.793 1.00 0.00 N ATOM 0 H ARG A 32 -8.259 -6.712 4.127 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.036 -7.212 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.602 -5.185 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.186 -5.882 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.602 -7.484 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.340 -6.780 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.382 -8.166 7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.670 -8.855 5.602 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.947 -9.451 8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.160 -9.958 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.974 -11.213 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.311 -10.977 8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.512 -11.767 7.435 1.00 0.00 H new ATOM 373 N LEU A 33 -10.000 -4.451 2.559 1.00 0.00 N ATOM 374 CA LEU A 33 -10.419 -3.398 1.624 1.00 0.00 C ATOM 375 C LEU A 33 -11.186 -3.932 0.400 1.00 0.00 C ATOM 376 O LEU A 33 -11.881 -3.150 -0.245 1.00 0.00 O ATOM 377 CB LEU A 33 -9.208 -2.572 1.140 1.00 0.00 C ATOM 378 CG LEU A 33 -8.449 -1.757 2.205 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.314 -0.982 1.529 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.327 -0.752 2.953 1.00 0.00 C ATOM 0 H LEU A 33 -8.992 -4.605 2.573 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.103 -2.765 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.501 -3.253 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.553 -1.884 0.369 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.080 -2.477 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.773 -0.403 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.631 -1.682 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.729 -0.308 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.724 -0.216 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.752 -0.042 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.132 -1.281 3.463 1.00 0.00 H new ATOM 391 N LYS A 34 -11.048 -5.218 0.048 1.00 0.00 N ATOM 392 CA LYS A 34 -11.716 -5.910 -1.078 1.00 0.00 C ATOM 393 C LYS A 34 -11.330 -5.426 -2.503 1.00 0.00 C ATOM 394 O LYS A 34 -11.766 -6.034 -3.483 1.00 0.00 O ATOM 395 CB LYS A 34 -13.248 -5.926 -0.874 1.00 0.00 C ATOM 396 CG LYS A 34 -13.698 -6.754 0.343 1.00 0.00 C ATOM 397 CD LYS A 34 -15.230 -6.757 0.418 1.00 0.00 C ATOM 398 CE LYS A 34 -15.776 -7.646 1.540 1.00 0.00 C ATOM 399 NZ LYS A 34 -17.251 -7.523 1.629 1.00 0.00 N ATOM 0 H LYS A 34 -10.433 -5.845 0.567 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.329 -6.929 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.601 -4.902 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.722 -6.326 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.325 -7.775 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.279 -6.334 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.582 -5.736 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.634 -7.097 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.502 -8.685 1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.323 -7.362 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.605 -8.132 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.506 -6.534 1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.679 -7.816 0.728 1.00 0.00 H new ATOM 409 N GLY A 35 -10.521 -4.364 -2.646 1.00 0.00 N ATOM 410 CA GLY A 35 -10.217 -3.696 -3.924 1.00 0.00 C ATOM 411 C GLY A 35 -8.865 -3.994 -4.582 1.00 0.00 C ATOM 412 O GLY A 35 -8.580 -3.357 -5.593 1.00 0.00 O ATOM 0 H GLY A 35 -10.046 -3.933 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.001 -3.959 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.281 -2.620 -3.763 1.00 0.00 H new ATOM 416 N VAL A 36 -8.034 -4.910 -4.074 1.00 0.00 N ATOM 417 CA VAL A 36 -6.768 -5.316 -4.728 1.00 0.00 C ATOM 418 C VAL A 36 -6.634 -6.841 -4.845 1.00 0.00 C ATOM 419 O VAL A 36 -7.201 -7.597 -4.052 1.00 0.00 O ATOM 420 CB VAL A 36 -5.505 -4.696 -4.075 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.647 -3.179 -3.851 1.00 0.00 C ATOM 422 CG2 VAL A 36 -5.076 -5.363 -2.760 1.00 0.00 C ATOM 0 H VAL A 36 -8.213 -5.397 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.828 -4.906 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.717 -4.886 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.737 -2.792 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.809 -2.683 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.495 -2.986 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.186 -4.867 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.882 -5.282 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.855 -6.415 -2.941 1.00 0.00 H new ATOM 432 N ALA A 37 -5.867 -7.293 -5.842 1.00 0.00 N ATOM 433 CA ALA A 37 -5.695 -8.707 -6.177 1.00 0.00 C ATOM 434 C ALA A 37 -4.555 -9.376 -5.392 1.00 0.00 C ATOM 435 O ALA A 37 -4.761 -10.458 -4.834 1.00 0.00 O ATOM 436 CB ALA A 37 -5.473 -8.811 -7.690 1.00 0.00 C ATOM 0 H ALA A 37 -5.337 -6.670 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.595 -9.249 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.342 -9.857 -7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.337 -8.403 -8.213 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.582 -8.248 -7.967 1.00 0.00 H new ATOM 442 N GLU A 38 -3.383 -8.735 -5.319 1.00 0.00 N ATOM 443 CA GLU A 38 -2.174 -9.267 -4.680 1.00 0.00 C ATOM 444 C GLU A 38 -1.335 -8.132 -4.089 1.00 0.00 C ATOM 445 O GLU A 38 -1.216 -7.085 -4.724 1.00 0.00 O ATOM 446 CB GLU A 38 -1.299 -10.051 -5.674 1.00 0.00 C ATOM 447 CG GLU A 38 -1.938 -11.337 -6.211 1.00 0.00 C ATOM 448 CD GLU A 38 -0.912 -12.123 -7.017 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.099 -12.853 -6.394 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.879 -11.975 -8.264 1.00 0.00 O ATOM 0 H GLU A 38 -3.246 -7.805 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.506 -9.942 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.058 -9.402 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.357 -10.305 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.307 -11.944 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.797 -11.094 -6.836 1.00 0.00 H new ATOM 455 N ALA A 39 -0.702 -8.333 -2.926 1.00 0.00 N ATOM 456 CA ALA A 39 0.093 -7.298 -2.251 1.00 0.00 C ATOM 457 C ALA A 39 1.029 -7.832 -1.150 1.00 0.00 C ATOM 458 O ALA A 39 0.678 -8.749 -0.400 1.00 0.00 O ATOM 459 CB ALA A 39 -0.854 -6.229 -1.689 1.00 0.00 C ATOM 0 H ALA A 39 -0.727 -9.221 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 39 0.758 -6.870 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.273 -5.456 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.423 -5.782 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.540 -6.688 -0.977 1.00 0.00 H new ATOM 465 N SER A 40 2.201 -7.206 -1.007 1.00 0.00 N ATOM 466 CA SER A 40 3.265 -7.616 -0.078 1.00 0.00 C ATOM 467 C SER A 40 4.127 -6.419 0.366 1.00 0.00 C ATOM 468 O SER A 40 4.625 -5.664 -0.476 1.00 0.00 O ATOM 469 CB SER A 40 4.141 -8.688 -0.752 1.00 0.00 C ATOM 470 OG SER A 40 5.159 -9.193 0.101 1.00 0.00 O ATOM 0 H SER A 40 2.445 -6.377 -1.548 1.00 0.00 H new ATOM 0 HA SER A 40 2.800 -8.028 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.508 -9.512 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.601 -8.264 -1.645 1.00 0.00 H new ATOM 0 HG SER A 40 5.681 -9.870 -0.378 1.00 0.00 H new ATOM 475 N VAL A 41 4.334 -6.244 1.675 1.00 0.00 N ATOM 476 CA VAL A 41 5.226 -5.218 2.245 1.00 0.00 C ATOM 477 C VAL A 41 6.644 -5.786 2.361 1.00 0.00 C ATOM 478 O VAL A 41 6.839 -6.844 2.962 1.00 0.00 O ATOM 479 CB VAL A 41 4.730 -4.721 3.628 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.707 -3.707 4.248 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.351 -4.046 3.506 1.00 0.00 C ATOM 0 H VAL A 41 3.880 -6.820 2.384 1.00 0.00 H new ATOM 0 HA VAL A 41 5.225 -4.358 1.576 1.00 0.00 H new ATOM 0 HB VAL A 41 4.663 -5.599 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.327 -3.381 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.682 -4.175 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.805 -2.845 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.024 -3.706 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.422 -3.193 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.629 -4.761 3.111 1.00 0.00 H new ATOM 491 N THR A 42 7.636 -5.066 1.817 1.00 0.00 N ATOM 492 CA THR A 42 9.062 -5.372 1.994 1.00 0.00 C ATOM 493 C THR A 42 9.555 -4.594 3.208 1.00 0.00 C ATOM 494 O THR A 42 9.728 -3.381 3.151 1.00 0.00 O ATOM 495 CB THR A 42 9.875 -5.037 0.738 1.00 0.00 C ATOM 496 OG1 THR A 42 9.317 -5.724 -0.362 1.00 0.00 O ATOM 497 CG2 THR A 42 11.319 -5.518 0.894 1.00 0.00 C ATOM 0 H THR A 42 7.468 -4.245 1.235 1.00 0.00 H new ATOM 0 HA THR A 42 9.195 -6.441 2.157 1.00 0.00 H new ATOM 0 HB THR A 42 9.856 -3.958 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.828 -5.516 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.883 -5.273 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.775 -5.027 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.329 -6.597 1.046 1.00 0.00 H new ATOM 505 N VAL A 43 9.772 -5.301 4.312 1.00 0.00 N ATOM 506 CA VAL A 43 10.050 -4.736 5.648 1.00 0.00 C ATOM 507 C VAL A 43 11.536 -4.388 5.827 1.00 0.00 C ATOM 508 O VAL A 43 11.869 -3.450 6.552 1.00 0.00 O ATOM 509 CB VAL A 43 9.583 -5.728 6.743 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.943 -5.293 8.172 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.057 -5.880 6.656 1.00 0.00 C ATOM 0 H VAL A 43 9.761 -6.321 4.312 1.00 0.00 H new ATOM 0 HA VAL A 43 9.492 -3.805 5.743 1.00 0.00 H new ATOM 0 HB VAL A 43 10.104 -6.666 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.583 -6.038 8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.025 -5.200 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.477 -4.332 8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.716 -6.576 7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.585 -4.910 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.785 -6.262 5.672 1.00 0.00 H new ATOM 521 N ALA A 44 12.437 -5.106 5.142 1.00 0.00 N ATOM 522 CA ALA A 44 13.876 -4.823 5.162 1.00 0.00 C ATOM 523 C ALA A 44 14.208 -3.443 4.561 1.00 0.00 C ATOM 524 O ALA A 44 15.060 -2.725 5.095 1.00 0.00 O ATOM 525 CB ALA A 44 14.598 -5.955 4.419 1.00 0.00 C ATOM 0 H ALA A 44 12.185 -5.902 4.556 1.00 0.00 H new ATOM 0 HA ALA A 44 14.220 -4.782 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.671 -5.765 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.396 -6.904 4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.240 -6.001 3.391 1.00 0.00 H new ATOM 531 N THR A 45 13.516 -3.053 3.482 1.00 0.00 N ATOM 532 CA THR A 45 13.656 -1.746 2.823 1.00 0.00 C ATOM 533 C THR A 45 12.669 -0.723 3.374 1.00 0.00 C ATOM 534 O THR A 45 13.067 0.417 3.600 1.00 0.00 O ATOM 535 CB THR A 45 13.485 -1.881 1.306 1.00 0.00 C ATOM 536 OG1 THR A 45 12.252 -2.505 1.032 1.00 0.00 O ATOM 537 CG2 THR A 45 14.595 -2.716 0.674 1.00 0.00 C ATOM 0 H THR A 45 12.825 -3.653 3.031 1.00 0.00 H new ATOM 0 HA THR A 45 14.662 -1.386 3.035 1.00 0.00 H new ATOM 0 HB THR A 45 13.525 -0.878 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.138 -2.592 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.432 -2.784 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.559 -2.245 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.588 -3.717 1.106 1.00 0.00 H new ATOM 545 N GLY A 46 11.422 -1.118 3.649 1.00 0.00 N ATOM 546 CA GLY A 46 10.317 -0.227 4.023 1.00 0.00 C ATOM 547 C GLY A 46 9.584 0.303 2.788 1.00 0.00 C ATOM 548 O GLY A 46 9.381 1.512 2.658 1.00 0.00 O ATOM 0 H GLY A 46 11.144 -2.099 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.615 -0.763 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.703 0.609 4.605 1.00 0.00 H new ATOM 552 N ARG A 47 9.222 -0.598 1.864 1.00 0.00 N ATOM 553 CA ARG A 47 8.590 -0.298 0.566 1.00 0.00 C ATOM 554 C ARG A 47 7.472 -1.314 0.266 1.00 0.00 C ATOM 555 O ARG A 47 7.398 -2.365 0.902 1.00 0.00 O ATOM 556 CB ARG A 47 9.630 -0.312 -0.575 1.00 0.00 C ATOM 557 CG ARG A 47 10.952 0.417 -0.286 1.00 0.00 C ATOM 558 CD ARG A 47 11.968 0.265 -1.430 1.00 0.00 C ATOM 559 NE ARG A 47 11.933 1.386 -2.382 1.00 0.00 N ATOM 560 CZ ARG A 47 12.968 2.107 -2.796 1.00 0.00 C ATOM 561 NH1 ARG A 47 14.194 1.955 -2.346 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.788 3.025 -3.709 1.00 0.00 N ATOM 0 H ARG A 47 9.366 -1.598 2.004 1.00 0.00 H new ATOM 0 HA ARG A 47 8.159 0.701 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.856 -1.349 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.177 0.135 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.751 1.475 -0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.385 0.027 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.970 0.183 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.769 -0.664 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 47 11.020 1.635 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.393 1.250 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.946 2.542 -2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.858 3.183 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.577 3.584 -4.033 1.00 0.00 H new ATOM 573 N LEU A 48 6.574 -1.009 -0.675 1.00 0.00 N ATOM 574 CA LEU A 48 5.364 -1.808 -0.952 1.00 0.00 C ATOM 575 C LEU A 48 5.353 -2.381 -2.380 1.00 0.00 C ATOM 576 O LEU A 48 5.973 -1.803 -3.272 1.00 0.00 O ATOM 577 CB LEU A 48 4.131 -0.909 -0.709 1.00 0.00 C ATOM 578 CG LEU A 48 3.150 -1.416 0.360 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.106 -0.322 0.618 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.441 -2.713 -0.059 1.00 0.00 C ATOM 0 H LEU A 48 6.663 -0.190 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 48 5.347 -2.669 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.477 0.084 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.592 -0.797 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 48 3.718 -1.640 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.400 -0.664 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.605 0.581 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.570 -0.105 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.760 -3.027 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.877 -2.540 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.182 -3.494 -0.231 1.00 0.00 H new ATOM 591 N THR A 49 4.607 -3.473 -2.603 1.00 0.00 N ATOM 592 CA THR A 49 4.228 -4.009 -3.926 1.00 0.00 C ATOM 593 C THR A 49 2.734 -4.311 -3.899 1.00 0.00 C ATOM 594 O THR A 49 2.258 -4.881 -2.917 1.00 0.00 O ATOM 595 CB THR A 49 5.004 -5.289 -4.269 1.00 0.00 C ATOM 596 OG1 THR A 49 6.384 -5.090 -4.062 1.00 0.00 O ATOM 597 CG2 THR A 49 4.835 -5.674 -5.739 1.00 0.00 C ATOM 0 H THR A 49 4.234 -4.033 -1.836 1.00 0.00 H new ATOM 0 HA THR A 49 4.469 -3.269 -4.689 1.00 0.00 H new ATOM 0 HB THR A 49 4.609 -6.075 -3.626 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.870 -5.912 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.398 -6.584 -5.944 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.780 -5.845 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.206 -4.868 -6.371 1.00 0.00 H new ATOM 605 N VAL A 50 2.008 -3.939 -4.955 1.00 0.00 N ATOM 606 CA VAL A 50 0.536 -4.066 -5.039 1.00 0.00 C ATOM 607 C VAL A 50 0.052 -4.272 -6.484 1.00 0.00 C ATOM 608 O VAL A 50 0.618 -3.687 -7.406 1.00 0.00 O ATOM 609 CB VAL A 50 -0.162 -2.851 -4.369 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.161 -1.509 -5.052 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.689 -3.020 -4.287 1.00 0.00 C ATOM 0 H VAL A 50 2.424 -3.534 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 50 0.254 -4.963 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 50 0.248 -2.826 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.359 -0.703 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.236 -1.331 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.165 -1.542 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.127 -2.143 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.097 -3.129 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.926 -3.908 -3.701 1.00 0.00 H new ATOM 621 N THR A 51 -0.994 -5.098 -6.663 1.00 0.00 N ATOM 622 CA THR A 51 -1.662 -5.420 -7.937 1.00 0.00 C ATOM 623 C THR A 51 -3.145 -5.051 -7.854 1.00 0.00 C ATOM 624 O THR A 51 -3.864 -5.651 -7.057 1.00 0.00 O ATOM 625 CB THR A 51 -1.509 -6.914 -8.277 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.141 -7.249 -8.369 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.118 -7.232 -9.651 1.00 0.00 C ATOM 0 H THR A 51 -1.421 -5.587 -5.876 1.00 0.00 H new ATOM 0 HA THR A 51 -1.189 -4.840 -8.729 1.00 0.00 H new ATOM 0 HB THR A 51 -2.013 -7.474 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.051 -8.201 -8.584 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.996 -8.294 -9.866 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.179 -6.982 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.611 -6.646 -10.418 1.00 0.00 H new ATOM 635 N TYR A 52 -3.617 -4.110 -8.682 1.00 0.00 N ATOM 636 CA TYR A 52 -4.980 -3.537 -8.603 1.00 0.00 C ATOM 637 C TYR A 52 -5.556 -3.040 -9.949 1.00 0.00 C ATOM 638 O TYR A 52 -4.811 -2.754 -10.887 1.00 0.00 O ATOM 639 CB TYR A 52 -4.994 -2.389 -7.576 1.00 0.00 C ATOM 640 CG TYR A 52 -4.262 -1.127 -8.006 1.00 0.00 C ATOM 641 CD1 TYR A 52 -2.863 -1.044 -7.861 1.00 0.00 C ATOM 642 CD2 TYR A 52 -4.971 -0.034 -8.549 1.00 0.00 C ATOM 643 CE1 TYR A 52 -2.174 0.116 -8.259 1.00 0.00 C ATOM 644 CE2 TYR A 52 -4.285 1.132 -8.950 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.880 1.208 -8.808 1.00 0.00 C ATOM 646 OH TYR A 52 -2.208 2.323 -9.210 1.00 0.00 O ATOM 0 H TYR A 52 -3.059 -3.715 -9.439 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.629 -4.356 -8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.030 -2.132 -7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.551 -2.748 -6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.316 -1.876 -7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.044 -0.090 -8.658 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.102 0.171 -8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.832 1.965 -9.365 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.246 2.136 -9.229 1.00 0.00 H new ATOM 655 N ASP A 53 -6.890 -2.923 -10.045 1.00 0.00 N ATOM 656 CA ASP A 53 -7.645 -2.429 -11.192 1.00 0.00 C ATOM 657 C ASP A 53 -7.891 -0.907 -11.041 1.00 0.00 C ATOM 658 O ASP A 53 -8.644 -0.500 -10.143 1.00 0.00 O ATOM 659 CB ASP A 53 -8.970 -3.212 -11.260 1.00 0.00 C ATOM 660 CG ASP A 53 -9.806 -2.884 -12.497 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.109 -1.689 -12.708 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.190 -3.820 -13.240 1.00 0.00 O ATOM 0 H ASP A 53 -7.501 -3.189 -9.273 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.091 -2.579 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.753 -4.280 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.557 -2.997 -10.367 1.00 0.00 H new ATOM 666 N PRO A 54 -7.308 -0.062 -11.917 1.00 0.00 N ATOM 667 CA PRO A 54 -7.358 1.399 -11.818 1.00 0.00 C ATOM 668 C PRO A 54 -8.722 2.013 -12.188 1.00 0.00 C ATOM 669 O PRO A 54 -8.835 3.240 -12.264 1.00 0.00 O ATOM 670 CB PRO A 54 -6.240 1.889 -12.746 1.00 0.00 C ATOM 671 CG PRO A 54 -6.193 0.820 -13.833 1.00 0.00 C ATOM 672 CD PRO A 54 -6.478 -0.455 -13.050 1.00 0.00 C ATOM 0 HA PRO A 54 -7.220 1.715 -10.784 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.462 2.873 -13.159 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.288 1.971 -12.221 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.939 0.996 -14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.222 0.785 -14.327 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.992 -1.187 -13.673 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.552 -0.919 -12.711 1.00 0.00 H new ATOM 677 N LYS A 55 -9.755 1.189 -12.400 1.00 0.00 N ATOM 678 CA LYS A 55 -11.120 1.633 -12.744 1.00 0.00 C ATOM 679 C LYS A 55 -12.161 1.145 -11.728 1.00 0.00 C ATOM 680 O LYS A 55 -13.132 1.849 -11.445 1.00 0.00 O ATOM 681 CB LYS A 55 -11.507 1.151 -14.157 1.00 0.00 C ATOM 682 CG LYS A 55 -10.747 1.819 -15.317 1.00 0.00 C ATOM 683 CD LYS A 55 -11.016 3.328 -15.428 1.00 0.00 C ATOM 684 CE LYS A 55 -10.623 3.835 -16.820 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.825 5.295 -16.959 1.00 0.00 N ATOM 0 H LYS A 55 -9.669 0.175 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.115 2.723 -12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.345 0.075 -14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.574 1.320 -14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.678 1.656 -15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.029 1.337 -16.253 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.071 3.531 -15.243 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.450 3.863 -14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.577 3.594 -17.011 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.213 3.315 -17.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.547 5.594 -17.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.828 5.523 -16.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.243 5.794 -16.257 1.00 0.00 H new ATOM 695 N GLN A 56 -11.946 -0.032 -11.132 1.00 0.00 N ATOM 696 CA GLN A 56 -12.724 -0.475 -9.972 1.00 0.00 C ATOM 697 C GLN A 56 -12.299 0.282 -8.698 1.00 0.00 C ATOM 698 O GLN A 56 -13.164 0.608 -7.886 1.00 0.00 O ATOM 699 CB GLN A 56 -12.624 -2.001 -9.798 1.00 0.00 C ATOM 700 CG GLN A 56 -13.124 -2.809 -11.014 1.00 0.00 C ATOM 701 CD GLN A 56 -14.570 -2.494 -11.399 1.00 0.00 C ATOM 702 OE1 GLN A 56 -14.845 -1.854 -12.413 1.00 0.00 O ATOM 703 NE2 GLN A 56 -15.529 -2.890 -10.595 1.00 0.00 N ATOM 0 H GLN A 56 -11.236 -0.698 -11.436 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.773 -0.237 -10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.585 -2.266 -9.602 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.199 -2.294 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.476 -2.606 -11.867 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.038 -3.873 -10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.303 -3.421 -9.754 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.501 -2.667 -10.811 1.00 0.00 H new ATOM 710 N VAL A 57 -11.017 0.639 -8.542 1.00 0.00 N ATOM 711 CA VAL A 57 -10.538 1.570 -7.491 1.00 0.00 C ATOM 712 C VAL A 57 -9.455 2.493 -8.067 1.00 0.00 C ATOM 713 O VAL A 57 -9.220 2.492 -9.272 1.00 0.00 O ATOM 714 CB VAL A 57 -10.024 0.849 -6.212 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.130 0.055 -5.499 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.826 -0.079 -6.489 1.00 0.00 C ATOM 0 H VAL A 57 -10.270 0.291 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.398 2.161 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.691 1.651 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.718 -0.428 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.931 0.732 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.527 -0.703 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.511 -0.554 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.118 -0.845 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.000 0.505 -6.896 1.00 0.00 H new ATOM 726 N SER A 58 -8.765 3.264 -7.227 1.00 0.00 N ATOM 727 CA SER A 58 -7.566 4.009 -7.614 1.00 0.00 C ATOM 728 C SER A 58 -6.561 4.059 -6.448 1.00 0.00 C ATOM 729 O SER A 58 -6.842 3.532 -5.366 1.00 0.00 O ATOM 730 CB SER A 58 -7.977 5.414 -8.101 1.00 0.00 C ATOM 731 OG SER A 58 -8.262 6.310 -7.038 1.00 0.00 O ATOM 0 H SER A 58 -9.025 3.391 -6.249 1.00 0.00 H new ATOM 0 HA SER A 58 -7.061 3.503 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.176 5.829 -8.713 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.855 5.328 -8.741 1.00 0.00 H new ATOM 0 HG SER A 58 -8.514 7.183 -7.405 1.00 0.00 H new ATOM 736 N GLU A 59 -5.423 4.740 -6.642 1.00 0.00 N ATOM 737 CA GLU A 59 -4.400 5.041 -5.616 1.00 0.00 C ATOM 738 C GLU A 59 -4.989 5.434 -4.245 1.00 0.00 C ATOM 739 O GLU A 59 -4.442 5.081 -3.201 1.00 0.00 O ATOM 740 CB GLU A 59 -3.522 6.202 -6.121 1.00 0.00 C ATOM 741 CG GLU A 59 -2.624 5.818 -7.307 1.00 0.00 C ATOM 742 CD GLU A 59 -2.654 6.870 -8.415 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.190 8.014 -8.190 1.00 0.00 O ATOM 744 OE2 GLU A 59 -3.148 6.556 -9.524 1.00 0.00 O ATOM 0 H GLU A 59 -5.174 5.115 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.828 4.126 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.164 7.032 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.897 6.558 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.599 5.688 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.947 4.858 -7.710 1.00 0.00 H new ATOM 749 N ILE A 60 -6.144 6.108 -4.245 1.00 0.00 N ATOM 750 CA ILE A 60 -6.957 6.451 -3.070 1.00 0.00 C ATOM 751 C ILE A 60 -7.097 5.300 -2.069 1.00 0.00 C ATOM 752 O ILE A 60 -6.867 5.508 -0.874 1.00 0.00 O ATOM 753 CB ILE A 60 -8.337 6.935 -3.580 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.259 8.337 -4.228 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.427 6.871 -2.498 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.622 9.441 -3.375 1.00 0.00 C ATOM 0 H ILE A 60 -6.561 6.448 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.453 7.240 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.632 6.233 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.696 8.254 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.269 8.649 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.372 7.222 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.540 5.842 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.142 7.503 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.623 10.378 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.194 9.566 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.596 9.165 -3.130 1.00 0.00 H new ATOM 767 N THR A 61 -7.460 4.100 -2.538 1.00 0.00 N ATOM 768 CA THR A 61 -7.803 2.964 -1.669 1.00 0.00 C ATOM 769 C THR A 61 -6.619 2.512 -0.821 1.00 0.00 C ATOM 770 O THR A 61 -6.823 2.112 0.321 1.00 0.00 O ATOM 771 CB THR A 61 -8.410 1.853 -2.530 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.687 2.308 -2.915 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.613 0.516 -1.820 1.00 0.00 C ATOM 0 H THR A 61 -7.525 3.887 -3.533 1.00 0.00 H new ATOM 0 HA THR A 61 -8.553 3.269 -0.939 1.00 0.00 H new ATOM 0 HB THR A 61 -7.714 1.665 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.183 1.574 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.047 -0.203 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.652 0.143 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.285 0.652 -0.972 1.00 0.00 H new ATOM 781 N ILE A 62 -5.381 2.637 -1.309 1.00 0.00 N ATOM 782 CA ILE A 62 -4.177 2.358 -0.503 1.00 0.00 C ATOM 783 C ILE A 62 -3.617 3.623 0.178 1.00 0.00 C ATOM 784 O ILE A 62 -3.109 3.529 1.297 1.00 0.00 O ATOM 785 CB ILE A 62 -3.159 1.559 -1.356 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.154 0.822 -0.448 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.469 2.418 -2.431 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.191 -0.098 -1.213 1.00 0.00 C ATOM 0 H ILE A 62 -5.180 2.931 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.440 1.721 0.342 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.719 0.807 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.574 1.558 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.705 0.230 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.768 1.802 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.220 2.826 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.930 3.236 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.514 -0.582 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.761 -0.857 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.613 0.491 -1.925 1.00 0.00 H new ATOM 799 N GLN A 63 -3.789 4.808 -0.423 1.00 0.00 N ATOM 800 CA GLN A 63 -3.431 6.108 0.161 1.00 0.00 C ATOM 801 C GLN A 63 -4.087 6.313 1.534 1.00 0.00 C ATOM 802 O GLN A 63 -3.395 6.688 2.481 1.00 0.00 O ATOM 803 CB GLN A 63 -3.853 7.228 -0.813 1.00 0.00 C ATOM 804 CG GLN A 63 -3.344 8.631 -0.445 1.00 0.00 C ATOM 805 CD GLN A 63 -3.976 9.691 -1.350 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.554 9.919 -2.480 1.00 0.00 O ATOM 807 NE2 GLN A 63 -5.028 10.342 -0.900 1.00 0.00 N ATOM 0 H GLN A 63 -4.193 4.891 -1.356 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.352 6.137 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.493 6.977 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.941 7.254 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.581 8.847 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.259 8.666 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.381 10.155 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.490 11.034 -1.490 1.00 0.00 H new ATOM 814 N GLU A 64 -5.395 6.039 1.645 1.00 0.00 N ATOM 815 CA GLU A 64 -6.147 6.157 2.899 1.00 0.00 C ATOM 816 C GLU A 64 -5.707 5.143 3.957 1.00 0.00 C ATOM 817 O GLU A 64 -5.584 5.533 5.117 1.00 0.00 O ATOM 818 CB GLU A 64 -7.655 6.025 2.644 1.00 0.00 C ATOM 819 CG GLU A 64 -8.254 7.226 1.894 1.00 0.00 C ATOM 820 CD GLU A 64 -9.784 7.231 1.924 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.407 6.188 2.230 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.386 8.310 1.706 1.00 0.00 O ATOM 0 H GLU A 64 -5.964 5.726 0.858 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.929 7.149 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.841 5.118 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.169 5.909 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.882 8.150 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.914 7.210 0.858 1.00 0.00 H new ATOM 827 N ARG A 65 -5.414 3.889 3.587 1.00 0.00 N ATOM 828 CA ARG A 65 -4.872 2.873 4.506 1.00 0.00 C ATOM 829 C ARG A 65 -3.541 3.334 5.100 1.00 0.00 C ATOM 830 O ARG A 65 -3.346 3.291 6.314 1.00 0.00 O ATOM 831 CB ARG A 65 -4.711 1.540 3.744 1.00 0.00 C ATOM 832 CG ARG A 65 -4.098 0.374 4.547 1.00 0.00 C ATOM 833 CD ARG A 65 -5.107 -0.523 5.271 1.00 0.00 C ATOM 834 NE ARG A 65 -5.990 0.220 6.186 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.107 0.073 7.500 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.348 -0.742 8.199 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.026 0.760 8.137 1.00 0.00 N ATOM 0 H ARG A 65 -5.547 3.546 2.635 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.563 2.728 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.691 1.230 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.089 1.718 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.509 -0.243 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.408 0.785 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.716 -1.044 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.568 -1.284 5.835 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.582 0.932 5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.630 -1.296 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.477 -0.820 9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.637 1.395 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.130 0.659 9.147 1.00 0.00 H new ATOM 848 N ILE A 66 -2.622 3.793 4.250 1.00 0.00 N ATOM 849 CA ILE A 66 -1.292 4.255 4.674 1.00 0.00 C ATOM 850 C ILE A 66 -1.408 5.503 5.565 1.00 0.00 C ATOM 851 O ILE A 66 -0.745 5.571 6.600 1.00 0.00 O ATOM 852 CB ILE A 66 -0.407 4.453 3.422 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.151 3.096 2.716 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.942 5.077 3.810 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.287 3.251 1.257 1.00 0.00 C ATOM 0 H ILE A 66 -2.776 3.857 3.244 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.803 3.505 5.296 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.934 5.122 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.616 2.548 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.060 2.496 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.552 5.209 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.773 6.046 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.459 4.420 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.450 2.266 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.490 3.773 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.213 3.825 1.214 1.00 0.00 H new ATOM 866 N ALA A 67 -2.299 6.438 5.223 1.00 0.00 N ATOM 867 CA ALA A 67 -2.592 7.615 6.043 1.00 0.00 C ATOM 868 C ALA A 67 -3.256 7.264 7.393 1.00 0.00 C ATOM 869 O ALA A 67 -2.975 7.909 8.403 1.00 0.00 O ATOM 870 CB ALA A 67 -3.475 8.558 5.220 1.00 0.00 C ATOM 0 H ALA A 67 -2.842 6.398 4.360 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.651 8.100 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.708 9.445 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.946 8.853 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.400 8.048 4.951 1.00 0.00 H new ATOM 876 N ALA A 68 -4.112 6.236 7.444 1.00 0.00 N ATOM 877 CA ALA A 68 -4.874 5.839 8.632 1.00 0.00 C ATOM 878 C ALA A 68 -4.004 5.102 9.662 1.00 0.00 C ATOM 879 O ALA A 68 -4.280 5.143 10.868 1.00 0.00 O ATOM 880 CB ALA A 68 -6.054 4.983 8.156 1.00 0.00 C ATOM 0 H ALA A 68 -4.298 5.641 6.636 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.239 6.725 9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.645 4.668 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.678 5.568 7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.678 4.104 7.633 1.00 0.00 H new ATOM 886 N LEU A 69 -2.915 4.480 9.200 1.00 0.00 N ATOM 887 CA LEU A 69 -1.825 4.006 10.056 1.00 0.00 C ATOM 888 C LEU A 69 -0.951 5.135 10.637 1.00 0.00 C ATOM 889 O LEU A 69 -0.215 4.884 11.595 1.00 0.00 O ATOM 890 CB LEU A 69 -0.972 2.985 9.271 1.00 0.00 C ATOM 891 CG LEU A 69 -1.299 1.510 9.567 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.127 1.203 11.059 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.708 1.111 9.113 1.00 0.00 C ATOM 0 H LEU A 69 -2.765 4.290 8.209 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.280 3.527 10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.105 3.165 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.080 3.162 9.496 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.590 0.917 8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.363 0.155 11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.097 1.400 11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.799 1.835 11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.882 0.061 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.445 1.725 9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.800 1.263 8.038 1.00 0.00 H new ATOM 904 N GLY A 70 -1.037 6.357 10.101 1.00 0.00 N ATOM 905 CA GLY A 70 -0.239 7.517 10.524 1.00 0.00 C ATOM 906 C GLY A 70 1.046 7.715 9.718 1.00 0.00 C ATOM 907 O GLY A 70 1.898 8.504 10.121 1.00 0.00 O ATOM 0 H GLY A 70 -1.681 6.574 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.850 8.416 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.019 7.403 11.577 1.00 0.00 H new ATOM 911 N TYR A 71 1.197 7.013 8.592 1.00 0.00 N ATOM 912 CA TYR A 71 2.275 7.220 7.617 1.00 0.00 C ATOM 913 C TYR A 71 1.781 8.085 6.440 1.00 0.00 C ATOM 914 O TYR A 71 0.667 8.614 6.472 1.00 0.00 O ATOM 915 CB TYR A 71 2.784 5.842 7.148 1.00 0.00 C ATOM 916 CG TYR A 71 3.136 4.869 8.261 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.991 5.269 9.305 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.584 3.571 8.271 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.274 4.394 10.367 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.860 2.691 9.336 1.00 0.00 C ATOM 921 CZ TYR A 71 3.696 3.107 10.397 1.00 0.00 C ATOM 922 OH TYR A 71 3.934 2.279 11.450 1.00 0.00 O ATOM 0 H TYR A 71 0.557 6.265 8.325 1.00 0.00 H new ATOM 0 HA TYR A 71 3.102 7.761 8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.021 5.386 6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.666 5.991 6.525 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.432 6.255 9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.948 3.251 7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.935 4.707 11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.433 1.699 9.342 1.00 0.00 H new ATOM 0 HH TYR A 71 3.162 1.690 11.584 1.00 0.00 H new ATOM 931 N THR A 72 2.581 8.216 5.375 1.00 0.00 N ATOM 932 CA THR A 72 2.185 8.873 4.116 1.00 0.00 C ATOM 933 C THR A 72 2.717 8.102 2.911 1.00 0.00 C ATOM 934 O THR A 72 3.761 7.452 2.995 1.00 0.00 O ATOM 935 CB THR A 72 2.654 10.335 4.061 1.00 0.00 C ATOM 936 OG1 THR A 72 4.024 10.425 4.372 1.00 0.00 O ATOM 937 CG2 THR A 72 1.909 11.228 5.051 1.00 0.00 C ATOM 0 H THR A 72 3.538 7.864 5.360 1.00 0.00 H new ATOM 0 HA THR A 72 1.096 8.872 4.082 1.00 0.00 H new ATOM 0 HB THR A 72 2.452 10.675 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.308 11.362 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.280 12.250 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.843 11.210 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.072 10.862 6.065 1.00 0.00 H new ATOM 945 N LEU A 73 1.988 8.172 1.793 1.00 0.00 N ATOM 946 CA LEU A 73 2.304 7.515 0.517 1.00 0.00 C ATOM 947 C LEU A 73 3.093 8.441 -0.425 1.00 0.00 C ATOM 948 O LEU A 73 2.687 9.584 -0.653 1.00 0.00 O ATOM 949 CB LEU A 73 0.965 7.062 -0.113 1.00 0.00 C ATOM 950 CG LEU A 73 1.032 6.541 -1.565 1.00 0.00 C ATOM 951 CD1 LEU A 73 1.896 5.283 -1.672 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.381 6.218 -2.072 1.00 0.00 C ATOM 0 H LEU A 73 1.123 8.711 1.749 1.00 0.00 H new ATOM 0 HA LEU A 73 2.950 6.654 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.541 6.277 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.271 7.902 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 73 1.482 7.325 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.920 4.945 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.910 5.508 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.475 4.498 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.325 5.851 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.830 5.454 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.993 7.119 -2.042 1.00 0.00 H new ATOM 963 N ALA A 74 4.166 7.926 -1.033 1.00 0.00 N ATOM 964 CA ALA A 74 4.923 8.554 -2.119 1.00 0.00 C ATOM 965 C ALA A 74 5.045 7.581 -3.314 1.00 0.00 C ATOM 966 O ALA A 74 6.093 6.976 -3.561 1.00 0.00 O ATOM 967 CB ALA A 74 6.278 9.008 -1.555 1.00 0.00 C ATOM 0 H ALA A 74 4.548 7.018 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 74 4.410 9.434 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.862 9.480 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.115 9.723 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.820 8.144 -1.170 1.00 0.00 H new ATOM 973 N GLU A 75 3.954 7.435 -4.069 1.00 0.00 N ATOM 974 CA GLU A 75 3.898 6.644 -5.298 1.00 0.00 C ATOM 975 C GLU A 75 4.584 7.485 -6.383 1.00 0.00 C ATOM 976 O GLU A 75 4.266 8.677 -6.489 1.00 0.00 O ATOM 977 CB GLU A 75 2.430 6.297 -5.622 1.00 0.00 C ATOM 978 CG GLU A 75 2.231 5.351 -6.814 1.00 0.00 C ATOM 979 CD GLU A 75 2.236 6.021 -8.193 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.900 7.221 -8.335 1.00 0.00 O ATOM 981 OE2 GLU A 75 2.540 5.314 -9.181 1.00 0.00 O ATOM 0 H GLU A 75 3.064 7.875 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 75 4.414 5.688 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.977 5.845 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.889 7.223 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.017 4.596 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.283 4.828 -6.687 1.00 0.00 H new ATOM 986 N PRO A 76 5.588 6.959 -7.107 1.00 0.00 N ATOM 987 CA PRO A 76 6.527 7.821 -7.815 1.00 0.00 C ATOM 988 C PRO A 76 6.025 8.277 -9.188 1.00 0.00 C ATOM 989 O PRO A 76 5.726 7.425 -10.054 1.00 0.00 O ATOM 990 CB PRO A 76 7.834 7.025 -7.897 1.00 0.00 C ATOM 991 CG PRO A 76 7.367 5.570 -7.900 1.00 0.00 C ATOM 992 CD PRO A 76 6.121 5.604 -7.013 1.00 0.00 C ATOM 0 HA PRO A 76 6.664 8.760 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.396 7.268 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.486 7.235 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.136 5.223 -8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.129 4.901 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.385 4.873 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.371 5.355 -5.982 1.00 0.00 H new TER 997 PRO A 76