USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 646 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 17 LYS NZ :NH3+ -112:sc= 0.479! (180deg=0) USER MOD Set 1.2: A 24 SER OG : rot 46:sc= 2.34 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -167:sc= -0.518 (180deg=-0.89) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.954 K(o=0.95,f=-7.4!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 103:sc= 1.05 USER MOD Single : A 79 GLN : amide:sc= -3.09! C(o=-3.1!,f=-8.6!) USER MOD Single : A 83 SER OG : rot 33:sc= 0.98 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 38:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 10.948 -11.068 -12.613 1.00 0.00 N ATOM 2 CA MET A 15 12.280 -10.585 -12.143 1.00 0.00 C ATOM 3 C MET A 15 12.439 -10.765 -10.630 1.00 0.00 C ATOM 4 O MET A 15 13.261 -11.563 -10.181 1.00 0.00 O ATOM 5 CB MET A 15 12.434 -9.107 -12.529 1.00 0.00 C ATOM 6 CG MET A 15 13.302 -8.885 -13.759 1.00 0.00 C ATOM 7 SD MET A 15 12.781 -9.885 -15.167 1.00 0.00 S ATOM 8 CE MET A 15 14.006 -9.421 -16.387 1.00 0.00 C ATOM 0 HA MET A 15 13.061 -11.177 -12.621 1.00 0.00 H new ATOM 0 HB2 MET A 15 11.446 -8.683 -12.710 1.00 0.00 H new ATOM 0 HB3 MET A 15 12.865 -8.564 -11.688 1.00 0.00 H new ATOM 0 HG2 MET A 15 13.271 -7.831 -14.035 1.00 0.00 H new ATOM 0 HG3 MET A 15 14.338 -9.120 -13.515 1.00 0.00 H new ATOM 0 HE1 MET A 15 13.816 -9.959 -17.316 1.00 0.00 H new ATOM 0 HE2 MET A 15 13.949 -8.348 -16.570 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.000 -9.673 -16.018 1.00 0.00 H new ATOM 18 N MET A 16 11.648 -10.026 -9.851 1.00 0.00 N ATOM 19 CA MET A 16 11.708 -10.112 -8.392 1.00 0.00 C ATOM 20 C MET A 16 10.310 -10.291 -7.791 1.00 0.00 C ATOM 21 O MET A 16 9.303 -10.195 -8.496 1.00 0.00 O ATOM 22 CB MET A 16 12.371 -8.854 -7.816 1.00 0.00 C ATOM 23 CG MET A 16 13.810 -8.654 -8.274 1.00 0.00 C ATOM 24 SD MET A 16 13.954 -7.414 -9.575 1.00 0.00 S ATOM 25 CE MET A 16 14.376 -5.963 -8.614 1.00 0.00 C ATOM 0 H MET A 16 10.959 -9.362 -10.206 1.00 0.00 H new ATOM 0 HA MET A 16 12.305 -10.985 -8.129 1.00 0.00 H new ATOM 0 HB2 MET A 16 11.784 -7.981 -8.102 1.00 0.00 H new ATOM 0 HB3 MET A 16 12.350 -8.909 -6.728 1.00 0.00 H new ATOM 0 HG2 MET A 16 14.421 -8.355 -7.422 1.00 0.00 H new ATOM 0 HG3 MET A 16 14.208 -9.602 -8.635 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.499 -5.109 -9.280 1.00 0.00 H new ATOM 0 HE2 MET A 16 13.579 -5.755 -7.900 1.00 0.00 H new ATOM 0 HE3 MET A 16 15.307 -6.141 -8.076 1.00 0.00 H new ATOM 35 N LYS A 17 10.256 -10.548 -6.484 1.00 0.00 N ATOM 36 CA LYS A 17 8.985 -10.735 -5.782 1.00 0.00 C ATOM 37 C LYS A 17 8.865 -9.752 -4.616 1.00 0.00 C ATOM 38 O LYS A 17 9.738 -9.702 -3.750 1.00 0.00 O ATOM 39 CB LYS A 17 8.872 -12.179 -5.272 1.00 0.00 C ATOM 40 CG LYS A 17 7.618 -12.447 -4.451 1.00 0.00 C ATOM 41 CD LYS A 17 6.376 -12.526 -5.329 1.00 0.00 C ATOM 42 CE LYS A 17 5.828 -13.946 -5.405 1.00 0.00 C ATOM 43 NZ LYS A 17 5.851 -14.482 -6.799 1.00 0.00 N ATOM 0 H LYS A 17 11.080 -10.632 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 17 8.171 -10.542 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.888 -12.857 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.748 -12.409 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.735 -13.381 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.491 -11.656 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.608 -11.861 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.617 -12.175 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.416 -14.596 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.805 -13.960 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.876 -14.592 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.365 -13.821 -7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.328 -15.406 -6.808 1.00 0.00 H new ATOM 57 N LEU A 18 7.787 -8.967 -4.603 1.00 0.00 N ATOM 58 CA LEU A 18 7.570 -7.983 -3.540 1.00 0.00 C ATOM 59 C LEU A 18 6.094 -7.907 -3.141 1.00 0.00 C ATOM 60 O LEU A 18 5.712 -8.364 -2.063 1.00 0.00 O ATOM 61 CB LEU A 18 8.069 -6.604 -3.987 1.00 0.00 C ATOM 62 CG LEU A 18 9.477 -6.235 -3.511 1.00 0.00 C ATOM 63 CD1 LEU A 18 10.509 -6.584 -4.568 1.00 0.00 C ATOM 64 CD2 LEU A 18 9.548 -4.756 -3.168 1.00 0.00 C ATOM 0 H LEU A 18 7.054 -8.992 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 18 8.137 -8.303 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.049 -6.563 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.371 -5.848 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 18 9.699 -6.812 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.502 -6.314 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.475 -7.655 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.292 -6.035 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.555 -4.509 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.306 -4.166 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.835 -4.532 -2.375 1.00 0.00 H new ATOM 76 N GLY A 19 5.270 -7.326 -4.015 1.00 0.00 N ATOM 77 CA GLY A 19 3.847 -7.198 -3.739 1.00 0.00 C ATOM 78 C GLY A 19 3.017 -7.048 -5.001 1.00 0.00 C ATOM 79 O GLY A 19 3.320 -6.208 -5.848 1.00 0.00 O ATOM 0 H GLY A 19 5.565 -6.941 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.508 -8.075 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.682 -6.334 -3.096 1.00 0.00 H new ATOM 83 N LEU A 20 1.970 -7.870 -5.118 1.00 0.00 N ATOM 84 CA LEU A 20 1.065 -7.851 -6.278 1.00 0.00 C ATOM 85 C LEU A 20 1.824 -7.971 -7.614 1.00 0.00 C ATOM 86 O LEU A 20 3.034 -8.200 -7.633 1.00 0.00 O ATOM 87 CB LEU A 20 0.183 -6.589 -6.245 1.00 0.00 C ATOM 88 CG LEU A 20 0.791 -5.326 -6.865 1.00 0.00 C ATOM 89 CD1 LEU A 20 -0.087 -4.810 -7.992 1.00 0.00 C ATOM 90 CD2 LEU A 20 0.976 -4.253 -5.805 1.00 0.00 C ATOM 0 H LEU A 20 1.724 -8.567 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 20 0.421 -8.728 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.751 -6.809 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.070 -6.374 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 20 1.768 -5.580 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.360 -3.913 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.176 -5.575 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.077 -4.571 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.409 -3.362 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.009 -4.004 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.643 -4.622 -5.026 1.00 0.00 H new ATOM 102 N VAL A 21 1.089 -7.826 -8.726 1.00 0.00 N ATOM 103 CA VAL A 21 1.668 -7.922 -10.078 1.00 0.00 C ATOM 104 C VAL A 21 2.057 -9.363 -10.434 1.00 0.00 C ATOM 105 O VAL A 21 2.864 -9.988 -9.744 1.00 0.00 O ATOM 106 CB VAL A 21 2.902 -7.004 -10.243 1.00 0.00 C ATOM 107 CG1 VAL A 21 3.534 -7.192 -11.616 1.00 0.00 C ATOM 108 CG2 VAL A 21 2.524 -5.548 -10.028 1.00 0.00 C ATOM 0 H VAL A 21 0.086 -7.641 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 21 0.888 -7.590 -10.763 1.00 0.00 H new ATOM 0 HB VAL A 21 3.634 -7.284 -9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.400 -6.537 -11.711 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.849 -8.229 -11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.806 -6.945 -12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.407 -4.921 -10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.769 -5.256 -10.758 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.124 -5.421 -9.022 1.00 0.00 H new ATOM 118 N ARG A 22 1.477 -9.878 -11.525 1.00 0.00 N ATOM 119 CA ARG A 22 1.753 -11.244 -11.994 1.00 0.00 C ATOM 120 C ARG A 22 1.153 -12.286 -11.042 1.00 0.00 C ATOM 121 O ARG A 22 1.025 -12.044 -9.841 1.00 0.00 O ATOM 122 CB ARG A 22 3.267 -11.468 -12.138 1.00 0.00 C ATOM 123 CG ARG A 22 3.644 -12.807 -12.764 1.00 0.00 C ATOM 124 CD ARG A 22 4.361 -13.709 -11.767 1.00 0.00 C ATOM 125 NE ARG A 22 3.677 -14.999 -11.596 1.00 0.00 N ATOM 126 CZ ARG A 22 3.790 -16.031 -12.426 1.00 0.00 C ATOM 127 NH1 ARG A 22 4.555 -15.955 -13.498 1.00 0.00 N ATOM 128 NH2 ARG A 22 3.133 -17.145 -12.173 1.00 0.00 N ATOM 0 H ARG A 22 0.810 -9.367 -12.103 1.00 0.00 H new ATOM 0 HA ARG A 22 1.284 -11.364 -12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.686 -10.665 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.729 -11.397 -11.153 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.745 -13.306 -13.126 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.285 -12.637 -13.629 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.382 -13.883 -12.106 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.426 -13.203 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 22 3.072 -15.110 -10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.069 -15.097 -13.698 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.633 -16.754 -14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.542 -17.212 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.215 -17.941 -12.806 1.00 0.00 H new ATOM 142 N PHE A 23 0.786 -13.449 -11.586 1.00 0.00 N ATOM 143 CA PHE A 23 0.203 -14.521 -10.777 1.00 0.00 C ATOM 144 C PHE A 23 1.059 -14.793 -9.538 1.00 0.00 C ATOM 145 O PHE A 23 2.136 -15.397 -9.627 1.00 0.00 O ATOM 146 CB PHE A 23 0.048 -15.799 -11.612 1.00 0.00 C ATOM 147 CG PHE A 23 -1.337 -15.989 -12.163 1.00 0.00 C ATOM 148 CD1 PHE A 23 -2.401 -16.268 -11.318 1.00 0.00 C ATOM 149 CD2 PHE A 23 -1.577 -15.886 -13.524 1.00 0.00 C ATOM 150 CE1 PHE A 23 -3.676 -16.444 -11.822 1.00 0.00 C ATOM 151 CE2 PHE A 23 -2.851 -16.061 -14.033 1.00 0.00 C ATOM 152 CZ PHE A 23 -3.901 -16.339 -13.181 1.00 0.00 C ATOM 0 H PHE A 23 0.882 -13.671 -12.577 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.785 -14.200 -10.446 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.759 -15.773 -12.438 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.307 -16.660 -10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.231 -16.349 -10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.760 -15.667 -14.195 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.496 -16.663 -11.154 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.024 -15.980 -15.096 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.897 -16.474 -13.576 1.00 0.00 H new ATOM 162 N SER A 24 0.581 -14.318 -8.388 1.00 0.00 N ATOM 163 CA SER A 24 1.291 -14.477 -7.116 1.00 0.00 C ATOM 164 C SER A 24 0.475 -13.884 -5.970 1.00 0.00 C ATOM 165 O SER A 24 0.083 -14.590 -5.044 1.00 0.00 O ATOM 166 CB SER A 24 2.661 -13.792 -7.182 1.00 0.00 C ATOM 167 OG SER A 24 3.666 -14.682 -7.658 1.00 0.00 O ATOM 0 H SER A 24 -0.303 -13.815 -8.310 1.00 0.00 H new ATOM 0 HA SER A 24 1.433 -15.542 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.603 -12.923 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.935 -13.428 -6.192 1.00 0.00 H new ATOM 0 HG SER A 24 3.333 -15.160 -8.446 1.00 0.00 H new ATOM 173 N MET A 25 0.219 -12.579 -6.053 1.00 0.00 N ATOM 174 CA MET A 25 -0.560 -11.876 -5.037 1.00 0.00 C ATOM 175 C MET A 25 -1.587 -10.954 -5.695 1.00 0.00 C ATOM 176 O MET A 25 -1.225 -10.002 -6.388 1.00 0.00 O ATOM 177 CB MET A 25 0.366 -11.065 -4.121 1.00 0.00 C ATOM 178 CG MET A 25 0.133 -11.313 -2.637 1.00 0.00 C ATOM 179 SD MET A 25 1.455 -12.277 -1.881 1.00 0.00 S ATOM 180 CE MET A 25 0.588 -13.008 -0.494 1.00 0.00 C ATOM 0 H MET A 25 0.542 -11.986 -6.817 1.00 0.00 H new ATOM 0 HA MET A 25 -1.089 -12.615 -4.436 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.402 -11.305 -4.362 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.229 -10.004 -4.329 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.045 -10.357 -2.122 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.815 -11.835 -2.504 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.309 -13.442 0.198 1.00 0.00 H new ATOM 0 HE2 MET A 25 0.009 -12.240 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.083 -13.788 -0.854 1.00 0.00 H new ATOM 190 N LEU A 26 -2.869 -11.250 -5.483 1.00 0.00 N ATOM 191 CA LEU A 26 -3.947 -10.449 -6.066 1.00 0.00 C ATOM 192 C LEU A 26 -4.730 -9.681 -4.995 1.00 0.00 C ATOM 193 O LEU A 26 -5.189 -8.566 -5.247 1.00 0.00 O ATOM 194 CB LEU A 26 -4.894 -11.338 -6.883 1.00 0.00 C ATOM 195 CG LEU A 26 -5.759 -12.311 -6.074 1.00 0.00 C ATOM 196 CD1 LEU A 26 -7.189 -11.806 -5.988 1.00 0.00 C ATOM 197 CD2 LEU A 26 -5.724 -13.698 -6.696 1.00 0.00 C ATOM 0 H LEU A 26 -3.186 -12.035 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.488 -9.715 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.553 -10.695 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.300 -11.914 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.353 -12.374 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.789 -12.509 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.202 -10.831 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.604 -11.715 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.343 -14.376 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.106 -13.649 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.698 -14.065 -6.710 1.00 0.00 H new ATOM 209 N LEU A 27 -4.878 -10.280 -3.807 1.00 0.00 N ATOM 210 CA LEU A 27 -5.610 -9.651 -2.696 1.00 0.00 C ATOM 211 C LEU A 27 -5.280 -8.162 -2.572 1.00 0.00 C ATOM 212 O LEU A 27 -6.174 -7.339 -2.358 1.00 0.00 O ATOM 213 CB LEU A 27 -5.295 -10.361 -1.371 1.00 0.00 C ATOM 214 CG LEU A 27 -5.625 -11.860 -1.311 1.00 0.00 C ATOM 215 CD1 LEU A 27 -6.760 -12.216 -2.261 1.00 0.00 C ATOM 216 CD2 LEU A 27 -4.390 -12.690 -1.622 1.00 0.00 C ATOM 0 H LEU A 27 -4.500 -11.202 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.673 -9.748 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.233 -10.235 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.842 -9.857 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.954 -12.089 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.969 -13.284 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.653 -11.654 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.472 -11.966 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.642 -13.749 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.030 -12.447 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.611 -12.470 -0.893 1.00 0.00 H new ATOM 228 N ALA A 28 -3.991 -7.824 -2.713 1.00 0.00 N ATOM 229 CA ALA A 28 -3.524 -6.437 -2.627 1.00 0.00 C ATOM 230 C ALA A 28 -4.487 -5.461 -3.311 1.00 0.00 C ATOM 231 O ALA A 28 -4.750 -4.372 -2.788 1.00 0.00 O ATOM 232 CB ALA A 28 -2.130 -6.320 -3.231 1.00 0.00 C ATOM 0 H ALA A 28 -3.248 -8.501 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.486 -6.165 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.790 -5.287 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.442 -6.965 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.160 -6.624 -4.277 1.00 0.00 H new ATOM 238 N LEU A 29 -5.021 -5.868 -4.471 1.00 0.00 N ATOM 239 CA LEU A 29 -5.968 -5.043 -5.227 1.00 0.00 C ATOM 240 C LEU A 29 -6.999 -4.389 -4.304 1.00 0.00 C ATOM 241 O LEU A 29 -7.349 -3.224 -4.486 1.00 0.00 O ATOM 242 CB LEU A 29 -6.679 -5.891 -6.287 1.00 0.00 C ATOM 243 CG LEU A 29 -7.587 -5.113 -7.242 1.00 0.00 C ATOM 244 CD1 LEU A 29 -7.377 -5.575 -8.672 1.00 0.00 C ATOM 245 CD2 LEU A 29 -9.044 -5.271 -6.840 1.00 0.00 C ATOM 0 H LEU A 29 -4.811 -6.767 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.403 -4.251 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.926 -6.416 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.276 -6.650 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.325 -4.057 -7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.031 -5.011 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.338 -5.410 -8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.610 -6.637 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.675 -4.711 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.318 -6.326 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.186 -4.890 -5.829 1.00 0.00 H new ATOM 257 N ALA A 30 -7.469 -5.143 -3.308 1.00 0.00 N ATOM 258 CA ALA A 30 -8.445 -4.630 -2.351 1.00 0.00 C ATOM 259 C ALA A 30 -7.902 -3.410 -1.605 1.00 0.00 C ATOM 260 O ALA A 30 -8.582 -2.386 -1.499 1.00 0.00 O ATOM 261 CB ALA A 30 -8.841 -5.722 -1.366 1.00 0.00 C ATOM 0 H ALA A 30 -7.188 -6.110 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.329 -4.316 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.569 -5.327 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.280 -6.559 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.958 -6.063 -0.826 1.00 0.00 H new ATOM 267 N LEU A 31 -6.666 -3.515 -1.109 1.00 0.00 N ATOM 268 CA LEU A 31 -6.034 -2.409 -0.390 1.00 0.00 C ATOM 269 C LEU A 31 -5.757 -1.245 -1.336 1.00 0.00 C ATOM 270 O LEU A 31 -6.084 -0.097 -1.033 1.00 0.00 O ATOM 271 CB LEU A 31 -4.736 -2.878 0.277 1.00 0.00 C ATOM 272 CG LEU A 31 -4.285 -2.071 1.500 1.00 0.00 C ATOM 273 CD1 LEU A 31 -4.007 -0.625 1.123 1.00 0.00 C ATOM 274 CD2 LEU A 31 -5.331 -2.144 2.601 1.00 0.00 C ATOM 0 H LEU A 31 -6.087 -4.351 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.718 -2.066 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.859 -3.919 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.938 -2.853 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.359 -2.508 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.689 -0.073 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.219 -0.590 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.914 -0.173 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.995 -1.566 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.273 -1.736 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.476 -3.183 2.897 1.00 0.00 H new ATOM 286 N VAL A 32 -5.170 -1.553 -2.494 1.00 0.00 N ATOM 287 CA VAL A 32 -4.868 -0.529 -3.497 1.00 0.00 C ATOM 288 C VAL A 32 -6.137 0.229 -3.886 1.00 0.00 C ATOM 289 O VAL A 32 -6.190 1.459 -3.795 1.00 0.00 O ATOM 290 CB VAL A 32 -4.227 -1.141 -4.764 1.00 0.00 C ATOM 291 CG1 VAL A 32 -3.767 -0.047 -5.718 1.00 0.00 C ATOM 292 CG2 VAL A 32 -3.060 -2.048 -4.396 1.00 0.00 C ATOM 0 H VAL A 32 -4.895 -2.499 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.152 0.160 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.984 -1.742 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.319 -0.500 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.622 0.560 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.030 0.583 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.625 -2.467 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.304 -1.470 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.415 -2.856 -3.757 1.00 0.00 H new ATOM 302 N VAL A 33 -7.163 -0.517 -4.300 1.00 0.00 N ATOM 303 CA VAL A 33 -8.445 0.071 -4.686 1.00 0.00 C ATOM 304 C VAL A 33 -9.019 0.916 -3.550 1.00 0.00 C ATOM 305 O VAL A 33 -9.319 2.097 -3.742 1.00 0.00 O ATOM 306 CB VAL A 33 -9.465 -1.019 -5.094 1.00 0.00 C ATOM 307 CG1 VAL A 33 -10.884 -0.466 -5.115 1.00 0.00 C ATOM 308 CG2 VAL A 33 -9.105 -1.606 -6.450 1.00 0.00 C ATOM 0 H VAL A 33 -7.129 -1.534 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.262 0.712 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.423 -1.812 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.578 -1.255 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.146 -0.099 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.945 0.352 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.833 -2.371 -6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.112 -0.817 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.112 -2.052 -6.401 1.00 0.00 H new ATOM 318 N LEU A 34 -9.161 0.312 -2.368 1.00 0.00 N ATOM 319 CA LEU A 34 -9.692 1.019 -1.202 1.00 0.00 C ATOM 320 C LEU A 34 -8.908 2.306 -0.944 1.00 0.00 C ATOM 321 O LEU A 34 -9.496 3.383 -0.818 1.00 0.00 O ATOM 322 CB LEU A 34 -9.651 0.117 0.039 1.00 0.00 C ATOM 323 CG LEU A 34 -11.009 -0.428 0.493 1.00 0.00 C ATOM 324 CD1 LEU A 34 -11.568 -1.398 -0.534 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.883 -1.104 1.848 1.00 0.00 C ATOM 0 H LEU A 34 -8.916 -0.663 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.729 1.282 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.989 -0.725 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.209 0.678 0.862 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.701 0.409 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.533 -1.774 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.695 -0.885 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.878 -2.232 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.856 -1.486 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.175 -1.930 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.527 -0.382 2.583 1.00 0.00 H new ATOM 337 N ALA A 35 -7.580 2.189 -0.874 1.00 0.00 N ATOM 338 CA ALA A 35 -6.710 3.342 -0.638 1.00 0.00 C ATOM 339 C ALA A 35 -6.922 4.429 -1.696 1.00 0.00 C ATOM 340 O ALA A 35 -7.196 5.583 -1.362 1.00 0.00 O ATOM 341 CB ALA A 35 -5.252 2.905 -0.607 1.00 0.00 C ATOM 0 H ALA A 35 -7.083 1.304 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.972 3.767 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.616 3.772 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.107 2.180 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.988 2.450 -1.562 1.00 0.00 H new ATOM 347 N ILE A 36 -6.797 4.053 -2.970 1.00 0.00 N ATOM 348 CA ILE A 36 -6.982 5.001 -4.072 1.00 0.00 C ATOM 349 C ILE A 36 -8.361 5.662 -4.008 1.00 0.00 C ATOM 350 O ILE A 36 -8.470 6.891 -4.027 1.00 0.00 O ATOM 351 CB ILE A 36 -6.807 4.315 -5.448 1.00 0.00 C ATOM 352 CG1 ILE A 36 -5.374 3.796 -5.616 1.00 0.00 C ATOM 353 CG2 ILE A 36 -7.161 5.274 -6.578 1.00 0.00 C ATOM 354 CD1 ILE A 36 -4.326 4.890 -5.656 1.00 0.00 C ATOM 0 H ILE A 36 -6.569 3.103 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.213 5.766 -3.961 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.489 3.466 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.145 3.117 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.314 3.215 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.031 4.771 -7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.198 5.593 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.508 6.145 -6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.339 4.444 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.528 5.557 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.357 5.457 -4.726 1.00 0.00 H new ATOM 366 N VAL A 37 -9.409 4.838 -3.928 1.00 0.00 N ATOM 367 CA VAL A 37 -10.783 5.336 -3.859 1.00 0.00 C ATOM 368 C VAL A 37 -10.980 6.278 -2.669 1.00 0.00 C ATOM 369 O VAL A 37 -11.401 7.426 -2.842 1.00 0.00 O ATOM 370 CB VAL A 37 -11.796 4.169 -3.767 1.00 0.00 C ATOM 371 CG1 VAL A 37 -13.183 4.674 -3.393 1.00 0.00 C ATOM 372 CG2 VAL A 37 -11.849 3.406 -5.081 1.00 0.00 C ATOM 0 H VAL A 37 -9.331 3.821 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.965 5.893 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.458 3.493 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.873 3.832 -3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.139 5.174 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.530 5.377 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.566 2.589 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.157 4.080 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.862 3.001 -5.307 1.00 0.00 H new ATOM 382 N VAL A 38 -10.674 5.789 -1.464 1.00 0.00 N ATOM 383 CA VAL A 38 -10.819 6.591 -0.246 1.00 0.00 C ATOM 384 C VAL A 38 -10.038 7.900 -0.354 1.00 0.00 C ATOM 385 O VAL A 38 -10.584 8.976 -0.102 1.00 0.00 O ATOM 386 CB VAL A 38 -10.349 5.810 1.004 1.00 0.00 C ATOM 387 CG1 VAL A 38 -10.204 6.736 2.205 1.00 0.00 C ATOM 388 CG2 VAL A 38 -11.318 4.681 1.322 1.00 0.00 C ATOM 0 H VAL A 38 -10.325 4.844 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.880 6.818 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.371 5.381 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.873 6.161 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.470 7.510 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.165 7.200 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.972 4.142 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.308 5.095 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.369 3.996 0.475 1.00 0.00 H new ATOM 398 N GLN A 39 -8.763 7.802 -0.736 1.00 0.00 N ATOM 399 CA GLN A 39 -7.913 8.984 -0.883 1.00 0.00 C ATOM 400 C GLN A 39 -8.510 9.972 -1.884 1.00 0.00 C ATOM 401 O GLN A 39 -8.701 11.146 -1.564 1.00 0.00 O ATOM 402 CB GLN A 39 -6.509 8.574 -1.327 1.00 0.00 C ATOM 403 CG GLN A 39 -5.669 7.978 -0.206 1.00 0.00 C ATOM 404 CD GLN A 39 -4.211 7.828 -0.588 1.00 0.00 C ATOM 405 OE1 GLN A 39 -3.331 8.376 0.065 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.946 7.076 -1.646 1.00 0.00 N ATOM 0 H GLN A 39 -8.298 6.919 -0.948 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.852 9.477 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.590 7.848 -2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.995 9.446 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.746 8.612 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.072 7.002 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.708 6.637 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.980 6.936 -1.943 1.00 0.00 H new ATOM 415 N MET A 40 -8.811 9.489 -3.091 1.00 0.00 N ATOM 416 CA MET A 40 -9.396 10.331 -4.134 1.00 0.00 C ATOM 417 C MET A 40 -10.654 11.036 -3.622 1.00 0.00 C ATOM 418 O MET A 40 -10.763 12.262 -3.696 1.00 0.00 O ATOM 419 CB MET A 40 -9.728 9.492 -5.373 1.00 0.00 C ATOM 420 CG MET A 40 -8.518 9.171 -6.236 1.00 0.00 C ATOM 421 SD MET A 40 -8.952 8.900 -7.964 1.00 0.00 S ATOM 422 CE MET A 40 -8.160 10.308 -8.735 1.00 0.00 C ATOM 0 H MET A 40 -8.659 8.520 -3.369 1.00 0.00 H new ATOM 0 HA MET A 40 -8.664 11.090 -4.408 1.00 0.00 H new ATOM 0 HB2 MET A 40 -10.194 8.559 -5.055 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.462 10.026 -5.976 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.801 9.989 -6.169 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.023 8.282 -5.846 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.338 10.282 -9.810 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.571 11.229 -8.321 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.087 10.272 -8.544 1.00 0.00 H new ATOM 432 N ALA A 41 -11.596 10.252 -3.093 1.00 0.00 N ATOM 433 CA ALA A 41 -12.840 10.801 -2.557 1.00 0.00 C ATOM 434 C ALA A 41 -12.564 11.825 -1.455 1.00 0.00 C ATOM 435 O ALA A 41 -13.045 12.959 -1.518 1.00 0.00 O ATOM 436 CB ALA A 41 -13.728 9.675 -2.038 1.00 0.00 C ATOM 0 H ALA A 41 -11.520 9.237 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.362 11.317 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.652 10.094 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.961 8.990 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.206 9.135 -1.248 1.00 0.00 H new ATOM 442 N VAL A 42 -11.783 11.421 -0.449 1.00 0.00 N ATOM 443 CA VAL A 42 -11.439 12.303 0.666 1.00 0.00 C ATOM 444 C VAL A 42 -10.802 13.604 0.172 1.00 0.00 C ATOM 445 O VAL A 42 -11.297 14.692 0.465 1.00 0.00 O ATOM 446 CB VAL A 42 -10.488 11.599 1.666 1.00 0.00 C ATOM 447 CG1 VAL A 42 -9.789 12.605 2.567 1.00 0.00 C ATOM 448 CG2 VAL A 42 -11.255 10.587 2.500 1.00 0.00 C ATOM 0 H VAL A 42 -11.377 10.487 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.369 12.546 1.180 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.723 11.077 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.129 12.079 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.203 13.293 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.533 13.165 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.574 10.100 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.042 11.096 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.700 9.838 1.845 1.00 0.00 H new ATOM 458 N THR A 43 -9.706 13.486 -0.582 1.00 0.00 N ATOM 459 CA THR A 43 -9.008 14.658 -1.118 1.00 0.00 C ATOM 460 C THR A 43 -9.936 15.503 -1.996 1.00 0.00 C ATOM 461 O THR A 43 -9.931 16.729 -1.904 1.00 0.00 O ATOM 462 CB THR A 43 -7.765 14.229 -1.910 1.00 0.00 C ATOM 463 OG1 THR A 43 -6.703 13.901 -1.030 1.00 0.00 O ATOM 464 CG2 THR A 43 -7.251 15.287 -2.863 1.00 0.00 C ATOM 0 H THR A 43 -9.283 12.593 -0.835 1.00 0.00 H new ATOM 0 HA THR A 43 -8.691 15.272 -0.275 1.00 0.00 H new ATOM 0 HB THR A 43 -8.087 13.367 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.919 13.628 -1.551 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.372 14.910 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.027 15.532 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.983 16.183 -2.302 1.00 0.00 H new ATOM 472 N MET A 44 -10.731 14.841 -2.841 1.00 0.00 N ATOM 473 CA MET A 44 -11.666 15.545 -3.726 1.00 0.00 C ATOM 474 C MET A 44 -12.710 16.322 -2.918 1.00 0.00 C ATOM 475 O MET A 44 -12.972 17.493 -3.195 1.00 0.00 O ATOM 476 CB MET A 44 -12.359 14.552 -4.666 1.00 0.00 C ATOM 477 CG MET A 44 -13.121 15.215 -5.802 1.00 0.00 C ATOM 478 SD MET A 44 -14.072 14.037 -6.779 1.00 0.00 S ATOM 479 CE MET A 44 -15.612 13.999 -5.864 1.00 0.00 C ATOM 0 H MET A 44 -10.747 13.825 -2.932 1.00 0.00 H new ATOM 0 HA MET A 44 -11.095 16.258 -4.321 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.610 13.880 -5.086 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.049 13.938 -4.087 1.00 0.00 H new ATOM 0 HG2 MET A 44 -13.794 15.968 -5.392 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.417 15.736 -6.451 1.00 0.00 H new ATOM 0 HE1 MET A 44 -16.306 13.311 -6.348 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.421 13.665 -4.844 1.00 0.00 H new ATOM 0 HE3 MET A 44 -16.047 14.998 -5.843 1.00 0.00 H new ATOM 489 N VAL A 45 -13.302 15.662 -1.920 1.00 0.00 N ATOM 490 CA VAL A 45 -14.317 16.289 -1.069 1.00 0.00 C ATOM 491 C VAL A 45 -13.709 17.376 -0.174 1.00 0.00 C ATOM 492 O VAL A 45 -14.319 18.427 0.034 1.00 0.00 O ATOM 493 CB VAL A 45 -15.034 15.239 -0.189 1.00 0.00 C ATOM 494 CG1 VAL A 45 -15.907 15.909 0.863 1.00 0.00 C ATOM 495 CG2 VAL A 45 -15.869 14.304 -1.051 1.00 0.00 C ATOM 0 H VAL A 45 -13.096 14.692 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.045 16.753 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.271 14.655 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.399 15.147 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.288 16.536 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.661 16.525 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -16.367 13.571 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -16.617 14.881 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.222 13.789 -1.761 1.00 0.00 H new ATOM 505 N LEU A 46 -12.514 17.115 0.355 1.00 0.00 N ATOM 506 CA LEU A 46 -11.833 18.072 1.229 1.00 0.00 C ATOM 507 C LEU A 46 -11.495 19.363 0.478 1.00 0.00 C ATOM 508 O LEU A 46 -10.811 19.342 -0.550 1.00 0.00 O ATOM 509 CB LEU A 46 -10.555 17.449 1.804 1.00 0.00 C ATOM 510 CG LEU A 46 -10.136 17.972 3.179 1.00 0.00 C ATOM 511 CD1 LEU A 46 -9.121 17.037 3.815 1.00 0.00 C ATOM 512 CD2 LEU A 46 -9.566 19.378 3.068 1.00 0.00 C ATOM 0 H LEU A 46 -11.997 16.250 0.194 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.509 18.321 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.694 16.370 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.738 17.622 1.103 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.020 18.010 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.833 17.423 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.561 16.047 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.239 16.969 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.274 19.731 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.694 19.366 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.321 20.045 2.653 1.00 0.00 H new ATOM 524 N HIS A 47 -11.979 20.488 0.999 1.00 0.00 N ATOM 525 CA HIS A 47 -11.731 21.791 0.383 1.00 0.00 C ATOM 526 C HIS A 47 -11.580 22.877 1.451 1.00 0.00 C ATOM 527 O HIS A 47 -12.096 22.745 2.565 1.00 0.00 O ATOM 528 CB HIS A 47 -12.864 22.144 -0.586 1.00 0.00 C ATOM 529 CG HIS A 47 -12.561 21.802 -2.015 1.00 0.00 C ATOM 530 ND1 HIS A 47 -11.747 20.752 -2.385 1.00 0.00 N ATOM 531 CD2 HIS A 47 -12.974 22.378 -3.169 1.00 0.00 C ATOM 532 CE1 HIS A 47 -11.670 20.698 -3.704 1.00 0.00 C ATOM 533 NE2 HIS A 47 -12.407 21.672 -4.202 1.00 0.00 N ATOM 0 H HIS A 47 -12.545 20.524 1.846 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.798 21.735 -0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.769 21.620 -0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.074 23.211 -0.513 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -11.277 20.116 -1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.627 23.233 -3.260 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.101 19.980 -4.276 1.00 0.00 H new ATOM 542 N GLY A 48 -10.857 23.942 1.114 1.00 0.00 N ATOM 543 CA GLY A 48 -10.636 25.026 2.061 1.00 0.00 C ATOM 544 C GLY A 48 -9.523 24.720 3.049 1.00 0.00 C ATOM 545 O GLY A 48 -8.565 25.482 3.168 1.00 0.00 O ATOM 0 H GLY A 48 -10.419 24.075 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.392 25.937 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.559 25.220 2.607 1.00 0.00 H new ATOM 549 N GLN A 49 -9.651 23.599 3.763 1.00 0.00 N ATOM 550 CA GLN A 49 -8.645 23.192 4.746 1.00 0.00 C ATOM 551 C GLN A 49 -7.367 22.687 4.059 1.00 0.00 C ATOM 552 O GLN A 49 -7.047 21.498 4.121 1.00 0.00 O ATOM 553 CB GLN A 49 -9.216 22.111 5.674 1.00 0.00 C ATOM 554 CG GLN A 49 -8.386 21.887 6.933 1.00 0.00 C ATOM 555 CD GLN A 49 -9.188 22.055 8.209 1.00 0.00 C ATOM 556 OE1 GLN A 49 -9.577 21.078 8.842 1.00 0.00 O ATOM 557 NE2 GLN A 49 -9.436 23.296 8.599 1.00 0.00 N ATOM 0 H GLN A 49 -10.440 22.958 3.679 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.382 24.066 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.230 22.390 5.962 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.287 21.173 5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.960 20.884 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.551 22.587 6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.096 24.082 8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.967 23.466 9.453 1.00 0.00 H new ATOM 566 N VAL A 50 -6.652 23.610 3.407 1.00 0.00 N ATOM 567 CA VAL A 50 -5.402 23.303 2.696 1.00 0.00 C ATOM 568 C VAL A 50 -5.480 21.979 1.918 1.00 0.00 C ATOM 569 O VAL A 50 -4.860 20.974 2.285 1.00 0.00 O ATOM 570 CB VAL A 50 -4.182 23.302 3.657 1.00 0.00 C ATOM 571 CG1 VAL A 50 -4.348 22.281 4.775 1.00 0.00 C ATOM 572 CG2 VAL A 50 -2.890 23.053 2.891 1.00 0.00 C ATOM 0 H VAL A 50 -6.922 24.592 3.356 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.261 24.101 1.967 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.128 24.289 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.475 22.310 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.241 22.517 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.447 21.284 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.049 23.057 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.944 22.086 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.751 23.838 2.148 1.00 0.00 H new ATOM 582 N GLU A 51 -6.243 21.994 0.827 1.00 0.00 N ATOM 583 CA GLU A 51 -6.413 20.811 -0.023 1.00 0.00 C ATOM 584 C GLU A 51 -5.121 20.476 -0.788 1.00 0.00 C ATOM 585 O GLU A 51 -5.079 20.524 -2.019 1.00 0.00 O ATOM 586 CB GLU A 51 -7.585 21.017 -1.000 1.00 0.00 C ATOM 587 CG GLU A 51 -7.600 22.382 -1.684 1.00 0.00 C ATOM 588 CD GLU A 51 -8.404 23.418 -0.923 1.00 0.00 C ATOM 589 OE1 GLU A 51 -7.841 24.037 0.006 1.00 0.00 O ATOM 590 OE2 GLU A 51 -9.596 23.608 -1.247 1.00 0.00 O ATOM 0 H GLU A 51 -6.757 22.815 0.507 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.641 19.964 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.546 20.241 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.522 20.885 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.576 22.737 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.013 22.275 -2.687 1.00 0.00 H new ATOM 597 N SER A 52 -4.066 20.137 -0.038 1.00 0.00 N ATOM 598 CA SER A 52 -2.762 19.790 -0.621 1.00 0.00 C ATOM 599 C SER A 52 -2.235 20.900 -1.541 1.00 0.00 C ATOM 600 O SER A 52 -1.594 20.626 -2.559 1.00 0.00 O ATOM 601 CB SER A 52 -2.856 18.466 -1.389 1.00 0.00 C ATOM 602 OG SER A 52 -2.384 17.383 -0.600 1.00 0.00 O ATOM 0 H SER A 52 -4.089 20.095 0.981 1.00 0.00 H new ATOM 0 HA SER A 52 -2.055 19.678 0.201 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.890 18.284 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.273 18.532 -2.307 1.00 0.00 H new ATOM 0 HG SER A 52 -2.456 16.550 -1.111 1.00 0.00 H new ATOM 608 N ILE A 53 -2.508 22.154 -1.175 1.00 0.00 N ATOM 609 CA ILE A 53 -2.066 23.307 -1.966 1.00 0.00 C ATOM 610 C ILE A 53 -0.740 23.881 -1.454 1.00 0.00 C ATOM 611 O ILE A 53 0.079 24.358 -2.240 1.00 0.00 O ATOM 612 CB ILE A 53 -3.135 24.427 -1.988 1.00 0.00 C ATOM 613 CG1 ILE A 53 -3.399 24.965 -0.578 1.00 0.00 C ATOM 614 CG2 ILE A 53 -4.428 23.918 -2.609 1.00 0.00 C ATOM 615 CD1 ILE A 53 -2.647 26.243 -0.266 1.00 0.00 C ATOM 0 H ILE A 53 -3.033 22.398 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.916 22.939 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.751 25.245 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.468 25.144 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.122 24.203 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.168 24.718 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.237 23.591 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.807 23.079 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.882 26.565 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.575 26.064 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.942 27.020 -0.971 1.00 0.00 H new ATOM 627 N ASP A 54 -0.534 23.834 -0.135 1.00 0.00 N ATOM 628 CA ASP A 54 0.689 24.352 0.474 1.00 0.00 C ATOM 629 C ASP A 54 1.854 23.376 0.279 1.00 0.00 C ATOM 630 O ASP A 54 2.799 23.660 -0.461 1.00 0.00 O ATOM 631 CB ASP A 54 0.461 24.626 1.965 1.00 0.00 C ATOM 632 CG ASP A 54 0.733 26.068 2.336 1.00 0.00 C ATOM 633 OD1 ASP A 54 -0.073 26.939 1.951 1.00 0.00 O ATOM 634 OD2 ASP A 54 1.749 26.323 3.012 1.00 0.00 O ATOM 0 H ASP A 54 -1.200 23.442 0.530 1.00 0.00 H new ATOM 0 HA ASP A 54 0.949 25.288 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.567 24.375 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.106 23.974 2.554 1.00 0.00 H new ATOM 639 N VAL A 55 1.778 22.219 0.937 1.00 0.00 N ATOM 640 CA VAL A 55 2.827 21.201 0.826 1.00 0.00 C ATOM 641 C VAL A 55 2.752 20.470 -0.519 1.00 0.00 C ATOM 642 O VAL A 55 2.493 19.266 -0.579 1.00 0.00 O ATOM 643 CB VAL A 55 2.760 20.172 1.983 1.00 0.00 C ATOM 644 CG1 VAL A 55 3.316 20.770 3.265 1.00 0.00 C ATOM 645 CG2 VAL A 55 1.336 19.676 2.197 1.00 0.00 C ATOM 0 H VAL A 55 1.005 21.962 1.551 1.00 0.00 H new ATOM 0 HA VAL A 55 3.779 21.727 0.891 1.00 0.00 H new ATOM 0 HB VAL A 55 3.375 19.316 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.260 20.032 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.355 21.060 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.732 21.648 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.321 18.956 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.690 20.519 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.976 19.198 1.286 1.00 0.00 H new ATOM 655 N ILE A 56 2.985 21.211 -1.602 1.00 0.00 N ATOM 656 CA ILE A 56 2.947 20.643 -2.955 1.00 0.00 C ATOM 657 C ILE A 56 4.212 19.830 -3.258 1.00 0.00 C ATOM 658 O ILE A 56 4.995 20.176 -4.145 1.00 0.00 O ATOM 659 CB ILE A 56 2.769 21.742 -4.030 1.00 0.00 C ATOM 660 CG1 ILE A 56 3.723 22.914 -3.780 1.00 0.00 C ATOM 661 CG2 ILE A 56 1.327 22.229 -4.055 1.00 0.00 C ATOM 662 CD1 ILE A 56 4.137 23.639 -5.042 1.00 0.00 C ATOM 0 H ILE A 56 3.202 22.207 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 56 2.084 19.978 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 56 3.011 21.309 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.245 23.623 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.615 22.544 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.217 23.002 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.665 21.395 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.065 22.640 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.812 24.456 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.645 22.944 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.253 24.040 -5.538 1.00 0.00 H new ATOM 674 N ARG A 57 4.404 18.741 -2.514 1.00 0.00 N ATOM 675 CA ARG A 57 5.572 17.878 -2.701 1.00 0.00 C ATOM 676 C ARG A 57 5.156 16.431 -2.993 1.00 0.00 C ATOM 677 O ARG A 57 5.490 15.511 -2.241 1.00 0.00 O ATOM 678 CB ARG A 57 6.472 17.940 -1.461 1.00 0.00 C ATOM 679 CG ARG A 57 7.953 17.770 -1.772 1.00 0.00 C ATOM 680 CD ARG A 57 8.795 18.840 -1.091 1.00 0.00 C ATOM 681 NE ARG A 57 9.167 18.459 0.276 1.00 0.00 N ATOM 682 CZ ARG A 57 9.909 19.205 1.087 1.00 0.00 C ATOM 683 NH1 ARG A 57 10.372 20.374 0.684 1.00 0.00 N ATOM 684 NH2 ARG A 57 10.191 18.777 2.301 1.00 0.00 N ATOM 0 H ARG A 57 3.768 18.435 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 57 6.130 18.241 -3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.322 18.897 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.165 17.163 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.283 16.784 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.107 17.817 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.697 19.018 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.240 19.778 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 57 8.834 17.561 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.161 20.710 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.941 20.941 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.840 17.873 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.761 19.349 2.924 1.00 0.00 H new ATOM 698 N SER A 58 4.427 16.236 -4.093 1.00 0.00 N ATOM 699 CA SER A 58 3.962 14.900 -4.491 1.00 0.00 C ATOM 700 C SER A 58 5.117 13.899 -4.559 1.00 0.00 C ATOM 701 O SER A 58 5.040 12.818 -3.973 1.00 0.00 O ATOM 702 CB SER A 58 3.251 14.962 -5.847 1.00 0.00 C ATOM 703 OG SER A 58 2.464 13.801 -6.066 1.00 0.00 O ATOM 0 H SER A 58 4.144 16.984 -4.726 1.00 0.00 H new ATOM 0 HA SER A 58 3.260 14.559 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.617 15.848 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.989 15.060 -6.643 1.00 0.00 H new ATOM 0 HG SER A 58 2.020 13.866 -6.937 1.00 0.00 H new ATOM 709 N ILE A 59 6.180 14.264 -5.278 1.00 0.00 N ATOM 710 CA ILE A 59 7.357 13.398 -5.429 1.00 0.00 C ATOM 711 C ILE A 59 7.818 12.819 -4.087 1.00 0.00 C ATOM 712 O ILE A 59 8.282 11.676 -4.025 1.00 0.00 O ATOM 713 CB ILE A 59 8.544 14.139 -6.098 1.00 0.00 C ATOM 714 CG1 ILE A 59 9.022 15.324 -5.240 1.00 0.00 C ATOM 715 CG2 ILE A 59 8.166 14.602 -7.500 1.00 0.00 C ATOM 716 CD1 ILE A 59 8.138 16.552 -5.321 1.00 0.00 C ATOM 0 H ILE A 59 6.253 15.156 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 59 7.043 12.580 -6.078 1.00 0.00 H new ATOM 0 HB ILE A 59 9.373 13.436 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.083 15.003 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.031 15.597 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.012 15.120 -7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.901 13.738 -8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.315 15.280 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.548 17.338 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.096 16.903 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.133 16.300 -4.983 1.00 0.00 H new ATOM 728 N PHE A 60 7.675 13.607 -3.014 1.00 0.00 N ATOM 729 CA PHE A 60 8.067 13.173 -1.671 1.00 0.00 C ATOM 730 C PHE A 60 7.448 11.819 -1.314 1.00 0.00 C ATOM 731 O PHE A 60 8.055 11.031 -0.585 1.00 0.00 O ATOM 732 CB PHE A 60 7.665 14.225 -0.630 1.00 0.00 C ATOM 733 CG PHE A 60 8.767 14.581 0.328 1.00 0.00 C ATOM 734 CD1 PHE A 60 9.943 15.153 -0.131 1.00 0.00 C ATOM 735 CD2 PHE A 60 8.628 14.343 1.687 1.00 0.00 C ATOM 736 CE1 PHE A 60 10.959 15.482 0.747 1.00 0.00 C ATOM 737 CE2 PHE A 60 9.640 14.669 2.569 1.00 0.00 C ATOM 738 CZ PHE A 60 10.807 15.239 2.098 1.00 0.00 C ATOM 0 H PHE A 60 7.289 14.551 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 60 9.151 13.059 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.339 15.128 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.810 13.855 -0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.067 15.344 -1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.718 13.897 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.870 15.928 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.519 14.479 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 60 11.600 15.494 2.786 1.00 0.00 H new ATOM 748 N PHE A 61 6.245 11.549 -1.839 1.00 0.00 N ATOM 749 CA PHE A 61 5.557 10.280 -1.578 1.00 0.00 C ATOM 750 C PHE A 61 6.498 9.090 -1.771 1.00 0.00 C ATOM 751 O PHE A 61 6.418 8.109 -1.032 1.00 0.00 O ATOM 752 CB PHE A 61 4.332 10.135 -2.488 1.00 0.00 C ATOM 753 CG PHE A 61 3.143 9.534 -1.794 1.00 0.00 C ATOM 754 CD1 PHE A 61 2.277 10.332 -1.064 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.893 8.173 -1.866 1.00 0.00 C ATOM 756 CE1 PHE A 61 1.183 9.785 -0.421 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.802 7.618 -1.225 1.00 0.00 C ATOM 758 CZ PHE A 61 0.945 8.426 -0.501 1.00 0.00 C ATOM 0 H PHE A 61 5.731 12.190 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 61 5.227 10.289 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.059 11.116 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.596 9.515 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.459 11.394 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.560 7.538 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.515 10.419 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.619 6.556 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.091 7.996 0.001 1.00 0.00 H new ATOM 768 N GLY A 62 7.398 9.189 -2.757 1.00 0.00 N ATOM 769 CA GLY A 62 8.355 8.119 -3.017 1.00 0.00 C ATOM 770 C GLY A 62 9.006 7.587 -1.751 1.00 0.00 C ATOM 771 O GLY A 62 9.189 6.381 -1.609 1.00 0.00 O ATOM 0 H GLY A 62 7.480 9.993 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.848 7.302 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.129 8.487 -3.691 1.00 0.00 H new ATOM 775 N LEU A 63 9.342 8.485 -0.821 1.00 0.00 N ATOM 776 CA LEU A 63 9.963 8.091 0.447 1.00 0.00 C ATOM 777 C LEU A 63 9.104 7.058 1.185 1.00 0.00 C ATOM 778 O LEU A 63 9.626 6.083 1.745 1.00 0.00 O ATOM 779 CB LEU A 63 10.180 9.321 1.337 1.00 0.00 C ATOM 780 CG LEU A 63 11.642 9.672 1.612 1.00 0.00 C ATOM 781 CD1 LEU A 63 11.771 11.132 2.016 1.00 0.00 C ATOM 782 CD2 LEU A 63 12.212 8.767 2.693 1.00 0.00 C ATOM 0 H LEU A 63 9.195 9.489 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 63 10.928 7.637 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.698 10.179 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.677 9.154 2.290 1.00 0.00 H new ATOM 0 HG LEU A 63 12.213 9.516 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.818 11.365 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.400 11.766 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.188 11.313 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.254 9.031 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.639 8.892 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.153 7.729 2.367 1.00 0.00 H new ATOM 794 N LEU A 64 7.783 7.270 1.165 1.00 0.00 N ATOM 795 CA LEU A 64 6.843 6.357 1.816 1.00 0.00 C ATOM 796 C LEU A 64 7.003 4.927 1.299 1.00 0.00 C ATOM 797 O LEU A 64 6.673 3.972 2.003 1.00 0.00 O ATOM 798 CB LEU A 64 5.400 6.832 1.604 1.00 0.00 C ATOM 799 CG LEU A 64 4.824 7.693 2.731 1.00 0.00 C ATOM 800 CD1 LEU A 64 3.491 8.291 2.316 1.00 0.00 C ATOM 801 CD2 LEU A 64 4.666 6.878 4.005 1.00 0.00 C ATOM 0 H LEU A 64 7.343 8.067 0.704 1.00 0.00 H new ATOM 0 HA LEU A 64 7.067 6.359 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.355 7.400 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.762 5.958 1.474 1.00 0.00 H new ATOM 0 HG LEU A 64 5.522 8.506 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.096 8.900 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.631 8.913 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.788 7.490 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.255 7.510 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.991 6.042 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.639 6.497 4.316 1.00 0.00 H new ATOM 813 N ILE A 65 7.524 4.780 0.074 1.00 0.00 N ATOM 814 CA ILE A 65 7.737 3.459 -0.516 1.00 0.00 C ATOM 815 C ILE A 65 8.535 2.551 0.424 1.00 0.00 C ATOM 816 O ILE A 65 8.319 1.340 0.450 1.00 0.00 O ATOM 817 CB ILE A 65 8.457 3.554 -1.886 1.00 0.00 C ATOM 818 CG1 ILE A 65 8.017 2.409 -2.799 1.00 0.00 C ATOM 819 CG2 ILE A 65 9.971 3.544 -1.719 1.00 0.00 C ATOM 820 CD1 ILE A 65 6.888 2.779 -3.735 1.00 0.00 C ATOM 0 H ILE A 65 7.804 5.558 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 65 6.751 3.023 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 65 8.176 4.502 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.872 2.077 -3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.706 1.565 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.445 3.612 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.275 4.394 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.277 2.619 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.630 1.918 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.018 3.083 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.202 3.603 -4.376 1.00 0.00 H new ATOM 832 N THR A 66 9.449 3.144 1.204 1.00 0.00 N ATOM 833 CA THR A 66 10.266 2.375 2.149 1.00 0.00 C ATOM 834 C THR A 66 9.384 1.708 3.210 1.00 0.00 C ATOM 835 O THR A 66 9.264 0.477 3.236 1.00 0.00 O ATOM 836 CB THR A 66 11.337 3.256 2.813 1.00 0.00 C ATOM 837 OG1 THR A 66 11.575 4.434 2.060 1.00 0.00 O ATOM 838 CG2 THR A 66 12.665 2.554 2.972 1.00 0.00 C ATOM 0 H THR A 66 9.639 4.146 1.199 1.00 0.00 H new ATOM 0 HA THR A 66 10.779 1.596 1.584 1.00 0.00 H new ATOM 0 HB THR A 66 10.935 3.494 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.882 5.097 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.378 3.228 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.536 1.667 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.041 2.260 1.992 1.00 0.00 H new ATOM 846 N PRO A 67 8.725 2.501 4.090 1.00 0.00 N ATOM 847 CA PRO A 67 7.838 1.950 5.122 1.00 0.00 C ATOM 848 C PRO A 67 6.689 1.157 4.501 1.00 0.00 C ATOM 849 O PRO A 67 6.309 0.096 5.006 1.00 0.00 O ATOM 850 CB PRO A 67 7.312 3.190 5.858 1.00 0.00 C ATOM 851 CG PRO A 67 7.529 4.322 4.915 1.00 0.00 C ATOM 852 CD PRO A 67 8.765 3.975 4.135 1.00 0.00 C ATOM 0 HA PRO A 67 8.353 1.253 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.257 3.082 6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.847 3.349 6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.672 4.449 4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.658 5.261 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.747 4.410 3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.668 4.340 4.625 1.00 0.00 H new ATOM 860 N TRP A 68 6.156 1.672 3.386 1.00 0.00 N ATOM 861 CA TRP A 68 5.069 1.011 2.672 1.00 0.00 C ATOM 862 C TRP A 68 5.492 -0.390 2.248 1.00 0.00 C ATOM 863 O TRP A 68 4.851 -1.369 2.606 1.00 0.00 O ATOM 864 CB TRP A 68 4.664 1.819 1.436 1.00 0.00 C ATOM 865 CG TRP A 68 3.534 2.769 1.681 1.00 0.00 C ATOM 866 CD1 TRP A 68 3.589 3.949 2.361 1.00 0.00 C ATOM 867 CD2 TRP A 68 2.180 2.618 1.244 1.00 0.00 C ATOM 868 NE1 TRP A 68 2.352 4.548 2.368 1.00 0.00 N ATOM 869 CE2 TRP A 68 1.470 3.748 1.691 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.499 1.637 0.516 1.00 0.00 C ATOM 871 CZ2 TRP A 68 0.113 3.923 1.433 1.00 0.00 C ATOM 872 CZ3 TRP A 68 0.152 1.812 0.262 1.00 0.00 C ATOM 873 CH2 TRP A 68 -0.528 2.949 0.718 1.00 0.00 C ATOM 0 H TRP A 68 6.464 2.547 2.962 1.00 0.00 H new ATOM 0 HA TRP A 68 4.214 0.942 3.344 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.528 2.380 1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.382 1.131 0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.475 4.354 2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.128 5.442 2.806 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.016 0.759 0.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.415 4.797 1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.385 1.060 -0.297 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.580 3.059 0.500 1.00 0.00 H new ATOM 884 N ALA A 69 6.586 -0.473 1.490 1.00 0.00 N ATOM 885 CA ALA A 69 7.099 -1.757 1.025 1.00 0.00 C ATOM 886 C ALA A 69 7.314 -2.721 2.190 1.00 0.00 C ATOM 887 O ALA A 69 6.827 -3.849 2.160 1.00 0.00 O ATOM 888 CB ALA A 69 8.396 -1.560 0.250 1.00 0.00 C ATOM 0 H ALA A 69 7.131 0.334 1.187 1.00 0.00 H new ATOM 0 HA ALA A 69 6.356 -2.196 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.767 -2.527 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.211 -0.918 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.139 -1.094 0.897 1.00 0.00 H new ATOM 894 N VAL A 70 8.041 -2.273 3.214 1.00 0.00 N ATOM 895 CA VAL A 70 8.320 -3.109 4.386 1.00 0.00 C ATOM 896 C VAL A 70 7.034 -3.656 5.023 1.00 0.00 C ATOM 897 O VAL A 70 6.852 -4.876 5.122 1.00 0.00 O ATOM 898 CB VAL A 70 9.126 -2.332 5.453 1.00 0.00 C ATOM 899 CG1 VAL A 70 9.260 -3.146 6.733 1.00 0.00 C ATOM 900 CG2 VAL A 70 10.500 -1.957 4.919 1.00 0.00 C ATOM 0 H VAL A 70 8.447 -1.338 3.257 1.00 0.00 H new ATOM 0 HA VAL A 70 8.914 -3.950 4.028 1.00 0.00 H new ATOM 0 HB VAL A 70 8.582 -1.417 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.831 -2.578 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.269 -3.362 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.776 -4.081 6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.051 -1.411 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.047 -2.862 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.388 -1.329 4.035 1.00 0.00 H new ATOM 910 N TYR A 71 6.154 -2.753 5.458 1.00 0.00 N ATOM 911 CA TYR A 71 4.893 -3.145 6.098 1.00 0.00 C ATOM 912 C TYR A 71 3.988 -3.918 5.136 1.00 0.00 C ATOM 913 O TYR A 71 3.566 -5.038 5.433 1.00 0.00 O ATOM 914 CB TYR A 71 4.162 -1.905 6.624 1.00 0.00 C ATOM 915 CG TYR A 71 4.661 -1.425 7.968 1.00 0.00 C ATOM 916 CD1 TYR A 71 5.892 -0.791 8.090 1.00 0.00 C ATOM 917 CD2 TYR A 71 3.899 -1.603 9.117 1.00 0.00 C ATOM 918 CE1 TYR A 71 6.348 -0.347 9.316 1.00 0.00 C ATOM 919 CE2 TYR A 71 4.350 -1.162 10.347 1.00 0.00 C ATOM 920 CZ TYR A 71 5.575 -0.536 10.441 1.00 0.00 C ATOM 921 OH TYR A 71 6.026 -0.096 11.663 1.00 0.00 O ATOM 0 H TYR A 71 6.289 -1.745 5.380 1.00 0.00 H new ATOM 0 HA TYR A 71 5.134 -3.805 6.931 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.267 -1.098 5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.098 -2.128 6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.502 -0.643 7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.939 -2.094 9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 71 7.306 0.146 9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.746 -1.307 11.230 1.00 0.00 H new ATOM 0 HH TYR A 71 5.361 -0.306 12.352 1.00 0.00 H new ATOM 931 N PHE A 72 3.695 -3.308 3.987 1.00 0.00 N ATOM 932 CA PHE A 72 2.839 -3.922 2.972 1.00 0.00 C ATOM 933 C PHE A 72 3.347 -5.309 2.581 1.00 0.00 C ATOM 934 O PHE A 72 2.597 -6.278 2.624 1.00 0.00 O ATOM 935 CB PHE A 72 2.752 -3.023 1.732 1.00 0.00 C ATOM 936 CG PHE A 72 1.465 -3.162 0.969 1.00 0.00 C ATOM 937 CD1 PHE A 72 0.369 -2.375 1.284 1.00 0.00 C ATOM 938 CD2 PHE A 72 1.352 -4.079 -0.064 1.00 0.00 C ATOM 939 CE1 PHE A 72 -0.815 -2.498 0.583 1.00 0.00 C ATOM 940 CE2 PHE A 72 0.169 -4.207 -0.769 1.00 0.00 C ATOM 941 CZ PHE A 72 -0.916 -3.416 -0.443 1.00 0.00 C ATOM 0 H PHE A 72 4.041 -2.382 3.735 1.00 0.00 H new ATOM 0 HA PHE A 72 1.843 -4.035 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.870 -1.984 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.584 -3.256 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.441 -1.657 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.197 -4.700 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.661 -1.877 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.093 -4.924 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.842 -3.516 -0.990 1.00 0.00 H new ATOM 951 N LEU A 73 4.623 -5.400 2.204 1.00 0.00 N ATOM 952 CA LEU A 73 5.215 -6.679 1.814 1.00 0.00 C ATOM 953 C LEU A 73 5.076 -7.708 2.936 1.00 0.00 C ATOM 954 O LEU A 73 4.510 -8.782 2.731 1.00 0.00 O ATOM 955 CB LEU A 73 6.691 -6.493 1.446 1.00 0.00 C ATOM 956 CG LEU A 73 7.332 -7.663 0.695 1.00 0.00 C ATOM 957 CD1 LEU A 73 8.442 -7.162 -0.212 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.872 -8.694 1.673 1.00 0.00 C ATOM 0 H LEU A 73 5.263 -4.607 2.161 1.00 0.00 H new ATOM 0 HA LEU A 73 4.678 -7.050 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.785 -5.595 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.257 -6.317 2.361 1.00 0.00 H new ATOM 0 HG LEU A 73 6.568 -8.139 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.889 -8.005 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.031 -6.458 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.204 -6.664 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.324 -9.518 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.623 -8.231 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.056 -9.074 2.288 1.00 0.00 H new ATOM 970 N SER A 74 5.590 -7.370 4.121 1.00 0.00 N ATOM 971 CA SER A 74 5.520 -8.268 5.278 1.00 0.00 C ATOM 972 C SER A 74 4.081 -8.697 5.564 1.00 0.00 C ATOM 973 O SER A 74 3.789 -9.889 5.661 1.00 0.00 O ATOM 974 CB SER A 74 6.113 -7.594 6.523 1.00 0.00 C ATOM 975 OG SER A 74 7.357 -6.974 6.232 1.00 0.00 O ATOM 0 H SER A 74 6.059 -6.483 4.305 1.00 0.00 H new ATOM 0 HA SER A 74 6.104 -9.156 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.414 -6.850 6.904 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.249 -8.335 7.310 1.00 0.00 H new ATOM 0 HG SER A 74 7.228 -6.006 6.145 1.00 0.00 H new ATOM 981 N VAL A 75 3.188 -7.715 5.699 1.00 0.00 N ATOM 982 CA VAL A 75 1.778 -7.986 5.980 1.00 0.00 C ATOM 983 C VAL A 75 1.125 -8.783 4.851 1.00 0.00 C ATOM 984 O VAL A 75 0.671 -9.900 5.067 1.00 0.00 O ATOM 985 CB VAL A 75 0.984 -6.681 6.222 1.00 0.00 C ATOM 986 CG1 VAL A 75 -0.516 -6.945 6.226 1.00 0.00 C ATOM 987 CG2 VAL A 75 1.413 -6.032 7.529 1.00 0.00 C ATOM 0 H VAL A 75 3.417 -6.724 5.618 1.00 0.00 H new ATOM 0 HA VAL A 75 1.751 -8.583 6.891 1.00 0.00 H new ATOM 0 HB VAL A 75 1.204 -5.996 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.049 -6.010 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.815 -7.361 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.759 -7.653 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.844 -5.115 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.226 -6.719 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.476 -5.797 7.487 1.00 0.00 H new ATOM 997 N VAL A 76 1.082 -8.203 3.650 1.00 0.00 N ATOM 998 CA VAL A 76 0.480 -8.866 2.491 1.00 0.00 C ATOM 999 C VAL A 76 1.030 -10.282 2.313 1.00 0.00 C ATOM 1000 O VAL A 76 0.257 -11.233 2.177 1.00 0.00 O ATOM 1001 CB VAL A 76 0.689 -8.050 1.195 1.00 0.00 C ATOM 1002 CG1 VAL A 76 0.224 -8.828 -0.029 1.00 0.00 C ATOM 1003 CG2 VAL A 76 -0.043 -6.721 1.282 1.00 0.00 C ATOM 0 H VAL A 76 1.457 -7.275 3.454 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.591 -8.931 2.684 1.00 0.00 H new ATOM 0 HB VAL A 76 1.757 -7.860 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.384 -8.227 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.791 -9.755 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.837 -9.059 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.114 -6.158 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.109 -6.901 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.340 -6.149 2.127 1.00 0.00 H new ATOM 1013 N VAL A 77 2.359 -10.429 2.341 1.00 0.00 N ATOM 1014 CA VAL A 77 2.976 -11.752 2.207 1.00 0.00 C ATOM 1015 C VAL A 77 2.449 -12.690 3.295 1.00 0.00 C ATOM 1016 O VAL A 77 2.077 -13.828 3.013 1.00 0.00 O ATOM 1017 CB VAL A 77 4.522 -11.679 2.281 1.00 0.00 C ATOM 1018 CG1 VAL A 77 5.120 -13.023 2.675 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.096 -11.217 0.951 1.00 0.00 C ATOM 0 H VAL A 77 3.020 -9.660 2.454 1.00 0.00 H new ATOM 0 HA VAL A 77 2.707 -12.141 1.225 1.00 0.00 H new ATOM 0 HB VAL A 77 4.786 -10.954 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.206 -12.939 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.739 -13.318 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.843 -13.775 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.183 -11.171 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.811 -11.920 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.706 -10.228 0.710 1.00 0.00 H new ATOM 1029 N GLU A 78 2.401 -12.192 4.530 1.00 0.00 N ATOM 1030 CA GLU A 78 1.898 -12.973 5.658 1.00 0.00 C ATOM 1031 C GLU A 78 0.425 -12.635 5.938 1.00 0.00 C ATOM 1032 O GLU A 78 0.005 -12.524 7.095 1.00 0.00 O ATOM 1033 CB GLU A 78 2.760 -12.709 6.900 1.00 0.00 C ATOM 1034 CG GLU A 78 3.676 -13.868 7.261 1.00 0.00 C ATOM 1035 CD GLU A 78 3.074 -14.786 8.301 1.00 0.00 C ATOM 1036 OE1 GLU A 78 3.245 -14.506 9.505 1.00 0.00 O ATOM 1037 OE2 GLU A 78 2.430 -15.783 7.912 1.00 0.00 O ATOM 0 H GLU A 78 2.705 -11.250 4.774 1.00 0.00 H new ATOM 0 HA GLU A 78 1.958 -14.032 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.364 -11.818 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.107 -12.495 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.900 -14.442 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.622 -13.475 7.633 1.00 0.00 H new ATOM 1044 N GLN A 79 -0.356 -12.467 4.866 1.00 0.00 N ATOM 1045 CA GLN A 79 -1.775 -12.133 4.984 1.00 0.00 C ATOM 1046 C GLN A 79 -2.645 -13.112 4.189 1.00 0.00 C ATOM 1047 O GLN A 79 -2.246 -13.586 3.125 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.017 -10.699 4.492 1.00 0.00 C ATOM 1049 CG GLN A 79 -3.463 -10.239 4.612 1.00 0.00 C ATOM 1050 CD GLN A 79 -3.651 -9.118 5.616 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -4.355 -8.149 5.348 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -3.034 -9.240 6.781 1.00 0.00 N ATOM 0 H GLN A 79 -0.026 -12.558 3.905 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.055 -12.209 6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.382 -10.019 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.709 -10.627 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.814 -9.906 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.084 -11.086 4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.457 -10.060 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.136 -8.514 7.491 1.00 0.00 H new ATOM 1061 N LEU A 80 -3.839 -13.400 4.709 1.00 0.00 N ATOM 1062 CA LEU A 80 -4.771 -14.311 4.045 1.00 0.00 C ATOM 1063 C LEU A 80 -5.816 -13.530 3.243 1.00 0.00 C ATOM 1064 O LEU A 80 -5.826 -13.572 2.012 1.00 0.00 O ATOM 1065 CB LEU A 80 -5.453 -15.219 5.078 1.00 0.00 C ATOM 1066 CG LEU A 80 -6.105 -16.479 4.506 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -5.052 -17.522 4.169 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -7.119 -17.045 5.487 1.00 0.00 C ATOM 0 H LEU A 80 -4.183 -13.015 5.589 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.208 -14.934 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.713 -15.517 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.214 -14.640 5.601 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.626 -16.209 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.536 -18.410 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.361 -17.116 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.502 -17.789 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.573 -17.941 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.619 -17.298 6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.893 -16.302 5.679 1.00 0.00 H new ATOM 1080 N GLU A 81 -6.682 -12.802 3.950 1.00 0.00 N ATOM 1081 CA GLU A 81 -7.721 -11.998 3.311 1.00 0.00 C ATOM 1082 C GLU A 81 -7.331 -10.518 3.308 1.00 0.00 C ATOM 1083 O GLU A 81 -7.937 -9.698 4.005 1.00 0.00 O ATOM 1084 CB GLU A 81 -9.058 -12.193 4.035 1.00 0.00 C ATOM 1085 CG GLU A 81 -9.913 -13.315 3.464 1.00 0.00 C ATOM 1086 CD GLU A 81 -9.564 -14.667 4.049 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -10.036 -14.974 5.164 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -8.820 -15.417 3.390 1.00 0.00 O ATOM 0 H GLU A 81 -6.683 -12.754 4.969 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.828 -12.328 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.863 -12.398 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.622 -11.262 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.964 -13.100 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.787 -13.348 2.382 1.00 0.00 H new ATOM 1095 N GLU A 82 -6.314 -10.179 2.518 1.00 0.00 N ATOM 1096 CA GLU A 82 -5.844 -8.796 2.426 1.00 0.00 C ATOM 1097 C GLU A 82 -6.974 -7.869 1.972 1.00 0.00 C ATOM 1098 O GLU A 82 -7.698 -8.173 1.016 1.00 0.00 O ATOM 1099 CB GLU A 82 -4.654 -8.693 1.466 1.00 0.00 C ATOM 1100 CG GLU A 82 -3.613 -7.669 1.897 1.00 0.00 C ATOM 1101 CD GLU A 82 -4.046 -6.247 1.617 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -3.855 -5.784 0.476 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -4.584 -5.598 2.540 1.00 0.00 O ATOM 0 H GLU A 82 -5.801 -10.839 1.934 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.518 -8.482 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.178 -9.670 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.020 -8.432 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.417 -7.782 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.676 -7.868 1.378 1.00 0.00 H new ATOM 1110 N SER A 83 -7.125 -6.740 2.664 1.00 0.00 N ATOM 1111 CA SER A 83 -8.172 -5.758 2.345 1.00 0.00 C ATOM 1112 C SER A 83 -8.151 -4.579 3.322 1.00 0.00 C ATOM 1113 O SER A 83 -8.289 -3.424 2.917 1.00 0.00 O ATOM 1114 CB SER A 83 -9.555 -6.422 2.371 1.00 0.00 C ATOM 1115 OG SER A 83 -9.848 -7.052 1.134 1.00 0.00 O ATOM 0 H SER A 83 -6.535 -6.478 3.453 1.00 0.00 H new ATOM 0 HA SER A 83 -7.970 -5.378 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.592 -7.158 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.316 -5.673 2.589 1.00 0.00 H new ATOM 0 HG SER A 83 -9.020 -7.396 0.738 1.00 0.00 H new ATOM 1121 N ARG A 84 -7.985 -4.879 4.612 1.00 0.00 N ATOM 1122 CA ARG A 84 -7.953 -3.837 5.644 1.00 0.00 C ATOM 1123 C ARG A 84 -7.026 -4.199 6.812 1.00 0.00 C ATOM 1124 O ARG A 84 -6.295 -3.344 7.312 1.00 0.00 O ATOM 1125 CB ARG A 84 -9.371 -3.564 6.166 1.00 0.00 C ATOM 1126 CG ARG A 84 -9.643 -2.094 6.459 1.00 0.00 C ATOM 1127 CD ARG A 84 -10.449 -1.438 5.345 1.00 0.00 C ATOM 1128 NE ARG A 84 -10.958 -0.117 5.741 1.00 0.00 N ATOM 1129 CZ ARG A 84 -10.322 1.034 5.539 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -9.137 1.057 4.955 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -10.874 2.166 5.931 1.00 0.00 N ATOM 0 H ARG A 84 -7.871 -5.829 4.967 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.553 -2.936 5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.094 -3.919 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.531 -4.142 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.184 -2.005 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.697 -1.566 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.825 -1.335 4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.285 -2.083 5.074 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.866 -0.080 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.700 0.186 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.659 1.946 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.786 2.157 6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.389 3.050 5.778 1.00 0.00 H new ATOM 1145 N GLN A 85 -7.070 -5.458 7.262 1.00 0.00 N ATOM 1146 CA GLN A 85 -6.235 -5.897 8.388 1.00 0.00 C ATOM 1147 C GLN A 85 -5.700 -7.326 8.203 1.00 0.00 C ATOM 1148 O GLN A 85 -4.500 -7.570 8.355 1.00 0.00 O ATOM 1149 CB GLN A 85 -7.030 -5.798 9.698 1.00 0.00 C ATOM 1150 CG GLN A 85 -8.446 -6.358 9.609 1.00 0.00 C ATOM 1151 CD GLN A 85 -9.304 -5.977 10.799 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -9.572 -4.804 11.035 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -9.745 -6.967 11.559 1.00 0.00 N ATOM 0 H GLN A 85 -7.668 -6.185 6.869 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.371 -5.234 8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.489 -6.330 10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.082 -4.752 10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.918 -5.996 8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.398 -7.444 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.502 -7.931 11.332 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.328 -6.766 12.371 1.00 0.00 H new ATOM 1162 N ARG A 86 -6.597 -8.266 7.893 1.00 0.00 N ATOM 1163 CA ARG A 86 -6.211 -9.670 7.704 1.00 0.00 C ATOM 1164 C ARG A 86 -7.362 -10.521 7.155 1.00 0.00 C ATOM 1165 O ARG A 86 -7.135 -11.434 6.360 1.00 0.00 O ATOM 1166 CB ARG A 86 -5.702 -10.270 9.022 1.00 0.00 C ATOM 1167 CG ARG A 86 -6.624 -10.033 10.214 1.00 0.00 C ATOM 1168 CD ARG A 86 -6.308 -10.977 11.366 1.00 0.00 C ATOM 1169 NE ARG A 86 -4.908 -10.875 11.797 1.00 0.00 N ATOM 1170 CZ ARG A 86 -4.437 -11.340 12.948 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -5.236 -11.944 13.809 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -3.160 -11.199 13.235 1.00 0.00 N ATOM 0 H ARG A 86 -7.593 -8.083 7.768 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.410 -9.682 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.565 -11.343 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.722 -9.849 9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.525 -9.001 10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.660 -10.169 9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.963 -10.753 12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.519 -12.002 11.062 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.251 -10.414 11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.226 -12.057 13.593 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.863 -12.297 14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.537 -10.734 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.793 -11.555 14.118 1.00 0.00 H new ATOM 1186 N LEU A 87 -8.588 -10.222 7.584 1.00 0.00 N ATOM 1187 CA LEU A 87 -9.765 -10.958 7.132 1.00 0.00 C ATOM 1188 C LEU A 87 -10.702 -10.049 6.334 1.00 0.00 C ATOM 1189 O LEU A 87 -10.675 -8.826 6.491 1.00 0.00 O ATOM 1190 CB LEU A 87 -10.502 -11.564 8.331 1.00 0.00 C ATOM 1191 CG LEU A 87 -10.138 -13.016 8.648 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -8.739 -13.102 9.234 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -11.151 -13.622 9.602 1.00 0.00 C ATOM 0 H LEU A 87 -8.791 -9.473 8.246 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.435 -11.765 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.297 -10.954 9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.575 -11.506 8.146 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.156 -13.584 7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.499 -14.143 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.019 -12.707 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.693 -12.518 10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.876 -14.655 9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.165 -13.050 10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.141 -13.597 9.146 1.00 0.00 H new ATOM 1205 N SER A 88 -11.531 -10.659 5.484 1.00 0.00 N ATOM 1206 CA SER A 88 -12.486 -9.914 4.655 1.00 0.00 C ATOM 1207 C SER A 88 -13.378 -9.013 5.511 1.00 0.00 C ATOM 1208 O SER A 88 -14.366 -9.476 6.091 1.00 0.00 O ATOM 1209 CB SER A 88 -13.352 -10.886 3.846 1.00 0.00 C ATOM 1210 OG SER A 88 -14.149 -11.694 4.702 1.00 0.00 O ATOM 0 H SER A 88 -11.561 -11.670 5.350 1.00 0.00 H new ATOM 0 HA SER A 88 -11.917 -9.282 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.995 -10.326 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.714 -11.521 3.231 1.00 0.00 H new ATOM 0 HG SER A 88 -14.468 -11.156 5.456 1.00 0.00 H new ATOM 1216 N ARG A 89 -13.019 -7.732 5.594 1.00 0.00 N ATOM 1217 CA ARG A 89 -13.776 -6.766 6.390 1.00 0.00 C ATOM 1218 C ARG A 89 -13.401 -5.325 6.025 1.00 0.00 C ATOM 1219 O ARG A 89 -14.324 -4.503 5.850 1.00 0.00 O ATOM 1220 CB ARG A 89 -13.522 -7.015 7.879 1.00 0.00 C ATOM 1221 CG ARG A 89 -14.414 -6.200 8.798 1.00 0.00 C ATOM 1222 CD ARG A 89 -13.905 -6.229 10.229 1.00 0.00 C ATOM 1223 NE ARG A 89 -14.802 -5.513 11.140 1.00 0.00 N ATOM 1224 CZ ARG A 89 -14.802 -5.657 12.461 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -13.946 -6.472 13.047 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -15.655 -4.975 13.196 1.00 0.00 N ATOM 0 H ARG A 89 -12.207 -7.339 5.119 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.836 -6.900 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.669 -8.074 8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -12.480 -6.787 8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.458 -5.169 8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -15.431 -6.592 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.803 -7.263 10.558 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.912 -5.782 10.271 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.471 -4.860 10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.277 -6.998 12.485 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.954 -6.576 14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.315 -4.337 12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.656 -5.085 14.210 1.00 0.00 H new TER 1240 ARG A 89