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 25 MET CE :methyl -117:sc= -2.14! (180deg=-3.69!) USER MOD Set 1.2: A 79 GLN : amide:sc= 0.886 K(o=-1.3,f=-4.9) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 172:sc= 0 (180deg=-0.0508) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -124:sc= 0.394 USER MOD Single : A 39 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.58) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 94:sc= 1.17 USER MOD Single : A 44 MET CE :methyl -101:sc= -0.538 (180deg=-2.55!) USER MOD Single : A 47 HIS : no HD1:sc= -0.394 X(o=-0.39,f=0.088) USER MOD Single : A 49 GLN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 66 THR OG1 : rot 83:sc= 0.307 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 96:sc= 1.2 USER MOD Single : A 83 SER OG : rot 55:sc= 1.22 USER MOD Single : A 85 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 15.007 -18.125 3.035 1.00 0.00 N ATOM 2 CA MET A 15 14.895 -16.806 2.350 1.00 0.00 C ATOM 3 C MET A 15 13.873 -15.905 3.046 1.00 0.00 C ATOM 4 O MET A 15 13.246 -16.314 4.026 1.00 0.00 O ATOM 5 CB MET A 15 14.493 -17.045 0.888 1.00 0.00 C ATOM 6 CG MET A 15 15.600 -16.733 -0.108 1.00 0.00 C ATOM 7 SD MET A 15 16.249 -15.062 0.075 1.00 0.00 S ATOM 8 CE MET A 15 17.505 -15.043 -1.204 1.00 0.00 C ATOM 0 HA MET A 15 15.858 -16.297 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 15 14.191 -18.086 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 15 13.623 -16.432 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 15 16.411 -17.450 0.020 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.219 -16.861 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 15 17.998 -14.071 -1.216 1.00 0.00 H new ATOM 0 HE2 MET A 15 18.242 -15.821 -1.002 1.00 0.00 H new ATOM 0 HE3 MET A 15 17.040 -15.226 -2.173 1.00 0.00 H new ATOM 18 N MET A 16 13.710 -14.683 2.539 1.00 0.00 N ATOM 19 CA MET A 16 12.765 -13.727 3.115 1.00 0.00 C ATOM 20 C MET A 16 11.736 -13.267 2.078 1.00 0.00 C ATOM 21 O MET A 16 11.946 -13.420 0.873 1.00 0.00 O ATOM 22 CB MET A 16 13.519 -12.517 3.679 1.00 0.00 C ATOM 23 CG MET A 16 13.737 -12.582 5.182 1.00 0.00 C ATOM 24 SD MET A 16 15.061 -13.716 5.642 1.00 0.00 S ATOM 25 CE MET A 16 14.203 -14.787 6.794 1.00 0.00 C ATOM 0 H MET A 16 14.221 -14.332 1.729 1.00 0.00 H new ATOM 0 HA MET A 16 12.230 -14.227 3.922 1.00 0.00 H new ATOM 0 HB2 MET A 16 14.486 -12.439 3.183 1.00 0.00 H new ATOM 0 HB3 MET A 16 12.964 -11.610 3.440 1.00 0.00 H new ATOM 0 HG2 MET A 16 13.972 -11.585 5.555 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.812 -12.894 5.666 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.846 -15.626 7.059 1.00 0.00 H new ATOM 0 HE2 MET A 16 13.950 -14.226 7.693 1.00 0.00 H new ATOM 0 HE3 MET A 16 13.290 -15.162 6.331 1.00 0.00 H new ATOM 35 N LYS A 17 10.627 -12.699 2.569 1.00 0.00 N ATOM 36 CA LYS A 17 9.542 -12.202 1.711 1.00 0.00 C ATOM 37 C LYS A 17 8.728 -13.349 1.106 1.00 0.00 C ATOM 38 O LYS A 17 9.224 -14.465 0.945 1.00 0.00 O ATOM 39 CB LYS A 17 10.092 -11.297 0.600 1.00 0.00 C ATOM 40 CG LYS A 17 10.773 -10.039 1.116 1.00 0.00 C ATOM 41 CD LYS A 17 11.153 -9.105 -0.024 1.00 0.00 C ATOM 42 CE LYS A 17 12.095 -8.006 0.441 1.00 0.00 C ATOM 43 NZ LYS A 17 11.352 -6.811 0.936 1.00 0.00 N ATOM 0 H LYS A 17 10.456 -12.571 3.566 1.00 0.00 H new ATOM 0 HA LYS A 17 8.875 -11.615 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.804 -11.865 0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.274 -11.011 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.108 -9.521 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.666 -10.312 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.627 -9.678 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.252 -8.658 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.737 -8.389 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.746 -7.713 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.029 -6.084 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.759 -6.430 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.749 -7.085 1.738 1.00 0.00 H new ATOM 57 N LEU A 18 7.469 -13.060 0.776 1.00 0.00 N ATOM 58 CA LEU A 18 6.570 -14.056 0.189 1.00 0.00 C ATOM 59 C LEU A 18 5.609 -13.404 -0.810 1.00 0.00 C ATOM 60 O LEU A 18 5.641 -12.188 -1.009 1.00 0.00 O ATOM 61 CB LEU A 18 5.780 -14.767 1.297 1.00 0.00 C ATOM 62 CG LEU A 18 6.561 -15.827 2.076 1.00 0.00 C ATOM 63 CD1 LEU A 18 6.355 -15.650 3.571 1.00 0.00 C ATOM 64 CD2 LEU A 18 6.141 -17.223 1.645 1.00 0.00 C ATOM 0 H LEU A 18 7.047 -12.141 0.906 1.00 0.00 H new ATOM 0 HA LEU A 18 7.172 -14.789 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.416 -14.018 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.904 -15.238 0.851 1.00 0.00 H new ATOM 0 HG LEU A 18 7.621 -15.702 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.918 -16.413 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.704 -14.662 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.295 -15.748 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.707 -17.964 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.076 -17.358 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.338 -17.350 0.581 1.00 0.00 H new ATOM 76 N GLY A 19 4.751 -14.217 -1.430 1.00 0.00 N ATOM 77 CA GLY A 19 3.791 -13.696 -2.396 1.00 0.00 C ATOM 78 C GLY A 19 4.316 -13.721 -3.818 1.00 0.00 C ATOM 79 O GLY A 19 4.557 -12.668 -4.411 1.00 0.00 O ATOM 0 H GLY A 19 4.703 -15.225 -1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.874 -14.282 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.531 -12.672 -2.127 1.00 0.00 H new ATOM 83 N LEU A 20 4.497 -14.928 -4.360 1.00 0.00 N ATOM 84 CA LEU A 20 5.004 -15.114 -5.725 1.00 0.00 C ATOM 85 C LEU A 20 6.483 -14.732 -5.831 1.00 0.00 C ATOM 86 O LEU A 20 7.079 -14.229 -4.877 1.00 0.00 O ATOM 87 CB LEU A 20 4.173 -14.297 -6.727 1.00 0.00 C ATOM 88 CG LEU A 20 3.292 -15.115 -7.679 1.00 0.00 C ATOM 89 CD1 LEU A 20 4.133 -15.782 -8.754 1.00 0.00 C ATOM 90 CD2 LEU A 20 2.493 -16.155 -6.911 1.00 0.00 C ATOM 0 H LEU A 20 4.298 -15.800 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 20 4.911 -16.172 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.535 -13.612 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.852 -13.687 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 20 2.594 -14.432 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.487 -16.357 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.659 -15.020 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.858 -16.449 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.875 -16.724 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.176 -16.830 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.855 -15.657 -6.181 1.00 0.00 H new ATOM 102 N VAL A 21 7.075 -14.984 -6.998 1.00 0.00 N ATOM 103 CA VAL A 21 8.487 -14.672 -7.231 1.00 0.00 C ATOM 104 C VAL A 21 8.671 -13.294 -7.875 1.00 0.00 C ATOM 105 O VAL A 21 9.595 -12.560 -7.526 1.00 0.00 O ATOM 106 CB VAL A 21 9.175 -15.745 -8.111 1.00 0.00 C ATOM 107 CG1 VAL A 21 9.085 -17.117 -7.455 1.00 0.00 C ATOM 108 CG2 VAL A 21 8.575 -15.785 -9.510 1.00 0.00 C ATOM 0 H VAL A 21 6.600 -15.403 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 21 8.960 -14.664 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 21 10.226 -15.471 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.574 -17.856 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.578 -17.089 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.038 -17.389 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.081 -16.549 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.513 -16.022 -9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.701 -14.814 -9.988 1.00 0.00 H new ATOM 118 N ARG A 22 7.788 -12.950 -8.818 1.00 0.00 N ATOM 119 CA ARG A 22 7.862 -11.658 -9.510 1.00 0.00 C ATOM 120 C ARG A 22 6.468 -11.071 -9.773 1.00 0.00 C ATOM 121 O ARG A 22 6.224 -9.901 -9.487 1.00 0.00 O ATOM 122 CB ARG A 22 8.639 -11.800 -10.826 1.00 0.00 C ATOM 123 CG ARG A 22 8.072 -12.843 -11.776 1.00 0.00 C ATOM 124 CD ARG A 22 8.987 -13.063 -12.969 1.00 0.00 C ATOM 125 NE ARG A 22 8.377 -13.935 -13.977 1.00 0.00 N ATOM 126 CZ ARG A 22 7.386 -13.571 -14.783 1.00 0.00 C ATOM 127 NH1 ARG A 22 6.865 -12.361 -14.707 1.00 0.00 N ATOM 128 NH2 ARG A 22 6.914 -14.427 -15.668 1.00 0.00 N ATOM 0 H ARG A 22 7.016 -13.545 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 22 8.392 -10.965 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.654 -10.835 -11.332 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.673 -12.057 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.933 -13.784 -11.244 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.089 -12.525 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.230 -12.102 -13.421 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.925 -13.502 -12.630 1.00 0.00 H new ATOM 0 HE ARG A 22 8.738 -14.885 -14.065 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.223 -11.694 -14.024 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.104 -12.093 -15.331 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.310 -15.365 -15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.153 -14.151 -16.289 1.00 0.00 H new ATOM 142 N PHE A 23 5.561 -11.888 -10.314 1.00 0.00 N ATOM 143 CA PHE A 23 4.194 -11.445 -10.612 1.00 0.00 C ATOM 144 C PHE A 23 3.474 -10.924 -9.359 1.00 0.00 C ATOM 145 O PHE A 23 2.534 -10.136 -9.463 1.00 0.00 O ATOM 146 CB PHE A 23 3.387 -12.594 -11.229 1.00 0.00 C ATOM 147 CG PHE A 23 3.422 -12.628 -12.732 1.00 0.00 C ATOM 148 CD1 PHE A 23 3.109 -11.502 -13.476 1.00 0.00 C ATOM 149 CD2 PHE A 23 3.761 -13.793 -13.402 1.00 0.00 C ATOM 150 CE1 PHE A 23 3.134 -11.536 -14.857 1.00 0.00 C ATOM 151 CE2 PHE A 23 3.786 -13.834 -14.783 1.00 0.00 C ATOM 152 CZ PHE A 23 3.474 -12.704 -15.513 1.00 0.00 C ATOM 0 H PHE A 23 5.748 -12.861 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 23 4.267 -10.623 -11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.769 -13.540 -10.845 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.350 -12.513 -10.902 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.842 -10.586 -12.970 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.009 -14.680 -12.838 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.888 -10.650 -15.424 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.050 -14.750 -15.291 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.496 -12.733 -16.592 1.00 0.00 H new ATOM 162 N SER A 24 3.917 -11.375 -8.181 1.00 0.00 N ATOM 163 CA SER A 24 3.314 -10.963 -6.909 1.00 0.00 C ATOM 164 C SER A 24 1.900 -11.533 -6.753 1.00 0.00 C ATOM 165 O SER A 24 1.523 -12.481 -7.446 1.00 0.00 O ATOM 166 CB SER A 24 3.293 -9.435 -6.795 1.00 0.00 C ATOM 167 OG SER A 24 3.054 -9.032 -5.454 1.00 0.00 O ATOM 0 H SER A 24 4.694 -12.028 -8.082 1.00 0.00 H new ATOM 0 HA SER A 24 3.927 -11.365 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.244 -9.027 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.519 -9.028 -7.445 1.00 0.00 H new ATOM 0 HG SER A 24 2.271 -8.443 -5.424 1.00 0.00 H new ATOM 173 N MET A 25 1.124 -10.957 -5.833 1.00 0.00 N ATOM 174 CA MET A 25 -0.243 -11.414 -5.584 1.00 0.00 C ATOM 175 C MET A 25 -1.268 -10.398 -6.089 1.00 0.00 C ATOM 176 O MET A 25 -1.389 -9.299 -5.542 1.00 0.00 O ATOM 177 CB MET A 25 -0.450 -11.677 -4.089 1.00 0.00 C ATOM 178 CG MET A 25 0.501 -12.714 -3.515 1.00 0.00 C ATOM 179 SD MET A 25 -0.004 -13.288 -1.883 1.00 0.00 S ATOM 180 CE MET A 25 0.759 -12.048 -0.841 1.00 0.00 C ATOM 0 H MET A 25 1.419 -10.174 -5.249 1.00 0.00 H new ATOM 0 HA MET A 25 -0.392 -12.344 -6.133 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.326 -10.741 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.476 -12.007 -3.926 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.558 -13.565 -4.194 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.503 -12.288 -3.453 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.500 -12.520 -0.197 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.245 -11.298 -1.465 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.004 -11.570 -0.226 1.00 0.00 H new ATOM 190 N LEU A 26 -2.002 -10.773 -7.137 1.00 0.00 N ATOM 191 CA LEU A 26 -3.020 -9.899 -7.731 1.00 0.00 C ATOM 192 C LEU A 26 -4.006 -9.372 -6.683 1.00 0.00 C ATOM 193 O LEU A 26 -4.363 -8.194 -6.702 1.00 0.00 O ATOM 194 CB LEU A 26 -3.781 -10.640 -8.837 1.00 0.00 C ATOM 195 CG LEU A 26 -3.226 -10.458 -10.252 1.00 0.00 C ATOM 196 CD1 LEU A 26 -3.055 -8.982 -10.580 1.00 0.00 C ATOM 197 CD2 LEU A 26 -1.903 -11.194 -10.405 1.00 0.00 C ATOM 0 H LEU A 26 -1.912 -11.680 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.500 -9.042 -8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.786 -11.704 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.819 -10.307 -8.826 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.942 -10.883 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.659 -8.877 -11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.021 -8.480 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.362 -8.529 -9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.523 -11.053 -11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.182 -10.799 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.054 -12.257 -10.219 1.00 0.00 H new ATOM 209 N LEU A 27 -4.446 -10.250 -5.776 1.00 0.00 N ATOM 210 CA LEU A 27 -5.395 -9.868 -4.724 1.00 0.00 C ATOM 211 C LEU A 27 -4.948 -8.599 -3.995 1.00 0.00 C ATOM 212 O LEU A 27 -5.754 -7.697 -3.755 1.00 0.00 O ATOM 213 CB LEU A 27 -5.567 -11.010 -3.720 1.00 0.00 C ATOM 214 CG LEU A 27 -6.861 -10.960 -2.906 1.00 0.00 C ATOM 215 CD1 LEU A 27 -7.927 -11.837 -3.542 1.00 0.00 C ATOM 216 CD2 LEU A 27 -6.605 -11.388 -1.471 1.00 0.00 C ATOM 0 H LEU A 27 -4.161 -11.229 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.351 -9.663 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.530 -11.957 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.721 -11.001 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.222 -9.932 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.840 -11.788 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.132 -11.485 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.574 -12.868 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.537 -11.346 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.219 -12.407 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.875 -10.718 -1.016 1.00 0.00 H new ATOM 228 N ALA A 28 -3.659 -8.533 -3.652 1.00 0.00 N ATOM 229 CA ALA A 28 -3.103 -7.372 -2.959 1.00 0.00 C ATOM 230 C ALA A 28 -3.448 -6.064 -3.684 1.00 0.00 C ATOM 231 O ALA A 28 -3.673 -5.031 -3.042 1.00 0.00 O ATOM 232 CB ALA A 28 -1.594 -7.527 -2.810 1.00 0.00 C ATOM 0 H ALA A 28 -2.982 -9.271 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.553 -7.321 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.188 -6.658 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.376 -8.426 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.137 -7.608 -3.796 1.00 0.00 H new ATOM 238 N LEU A 29 -3.512 -6.120 -5.021 1.00 0.00 N ATOM 239 CA LEU A 29 -3.852 -4.948 -5.830 1.00 0.00 C ATOM 240 C LEU A 29 -5.151 -4.307 -5.340 1.00 0.00 C ATOM 241 O LEU A 29 -5.277 -3.083 -5.317 1.00 0.00 O ATOM 242 CB LEU A 29 -3.983 -5.339 -7.306 1.00 0.00 C ATOM 243 CG LEU A 29 -3.628 -4.236 -8.305 1.00 0.00 C ATOM 244 CD1 LEU A 29 -2.124 -4.024 -8.355 1.00 0.00 C ATOM 245 CD2 LEU A 29 -4.163 -4.580 -9.683 1.00 0.00 C ATOM 0 H LEU A 29 -3.332 -6.965 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.048 -4.220 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.341 -6.200 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.008 -5.659 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.093 -3.308 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.891 -3.236 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.764 -3.735 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.636 -4.949 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.903 -3.786 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.724 -5.519 -10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.247 -4.682 -9.637 1.00 0.00 H new ATOM 257 N ALA A 30 -6.107 -5.144 -4.926 1.00 0.00 N ATOM 258 CA ALA A 30 -7.384 -4.656 -4.410 1.00 0.00 C ATOM 259 C ALA A 30 -7.163 -3.811 -3.155 1.00 0.00 C ATOM 260 O ALA A 30 -7.836 -2.799 -2.951 1.00 0.00 O ATOM 261 CB ALA A 30 -8.319 -5.822 -4.118 1.00 0.00 C ATOM 0 H ALA A 30 -6.019 -6.160 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.849 -4.027 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.266 -5.442 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.498 -6.383 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.863 -6.477 -3.375 1.00 0.00 H new ATOM 267 N LEU A 31 -6.187 -4.216 -2.333 1.00 0.00 N ATOM 268 CA LEU A 31 -5.851 -3.482 -1.114 1.00 0.00 C ATOM 269 C LEU A 31 -5.220 -2.141 -1.479 1.00 0.00 C ATOM 270 O LEU A 31 -5.645 -1.091 -0.995 1.00 0.00 O ATOM 271 CB LEU A 31 -4.898 -4.302 -0.232 1.00 0.00 C ATOM 272 CG LEU A 31 -5.561 -5.367 0.652 1.00 0.00 C ATOM 273 CD1 LEU A 31 -6.826 -4.828 1.297 1.00 0.00 C ATOM 274 CD2 LEU A 31 -5.868 -6.620 -0.153 1.00 0.00 C ATOM 0 H LEU A 31 -5.618 -5.048 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.765 -3.303 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.169 -4.793 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.345 -3.616 0.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.860 -5.629 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.276 -5.602 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.580 -3.965 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.531 -4.529 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.338 -7.362 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.545 -6.371 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.942 -7.027 -0.560 1.00 0.00 H new ATOM 286 N VAL A 32 -4.220 -2.187 -2.364 1.00 0.00 N ATOM 287 CA VAL A 32 -3.546 -0.972 -2.827 1.00 0.00 C ATOM 288 C VAL A 32 -4.565 -0.012 -3.444 1.00 0.00 C ATOM 289 O VAL A 32 -4.618 1.169 -3.091 1.00 0.00 O ATOM 290 CB VAL A 32 -2.446 -1.293 -3.865 1.00 0.00 C ATOM 291 CG1 VAL A 32 -1.743 -0.022 -4.325 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.437 -2.278 -3.292 1.00 0.00 C ATOM 0 H VAL A 32 -3.861 -3.050 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.073 -0.505 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.925 -1.751 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.974 -0.275 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.469 0.650 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.282 0.469 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.672 -2.490 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.970 -1.847 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.945 -3.203 -3.020 1.00 0.00 H new ATOM 302 N VAL A 33 -5.393 -0.542 -4.349 1.00 0.00 N ATOM 303 CA VAL A 33 -6.436 0.246 -5.000 1.00 0.00 C ATOM 304 C VAL A 33 -7.358 0.863 -3.951 1.00 0.00 C ATOM 305 O VAL A 33 -7.565 2.078 -3.937 1.00 0.00 O ATOM 306 CB VAL A 33 -7.267 -0.610 -5.983 1.00 0.00 C ATOM 307 CG1 VAL A 33 -8.540 0.113 -6.400 1.00 0.00 C ATOM 308 CG2 VAL A 33 -6.438 -0.974 -7.206 1.00 0.00 C ATOM 0 H VAL A 33 -5.358 -1.517 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.946 1.036 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.553 -1.528 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.104 -0.513 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.147 0.318 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.281 1.052 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.039 -1.577 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.118 -0.064 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.562 -1.543 -6.895 1.00 0.00 H new ATOM 318 N LEU A 34 -7.887 0.022 -3.054 1.00 0.00 N ATOM 319 CA LEU A 34 -8.761 0.497 -1.984 1.00 0.00 C ATOM 320 C LEU A 34 -8.070 1.610 -1.199 1.00 0.00 C ATOM 321 O LEU A 34 -8.656 2.667 -0.960 1.00 0.00 O ATOM 322 CB LEU A 34 -9.147 -0.655 -1.048 1.00 0.00 C ATOM 323 CG LEU A 34 -10.630 -1.033 -1.062 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.963 -1.852 -2.299 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.994 -1.804 0.196 1.00 0.00 C ATOM 0 H LEU A 34 -7.724 -0.985 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.673 0.893 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.561 -1.534 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.866 -0.385 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.217 -0.115 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.022 -2.111 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.739 -1.269 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.367 -2.764 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.052 -2.065 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.397 -2.714 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.794 -1.187 1.072 1.00 0.00 H new ATOM 337 N ALA A 35 -6.807 1.376 -0.827 1.00 0.00 N ATOM 338 CA ALA A 35 -6.022 2.370 -0.098 1.00 0.00 C ATOM 339 C ALA A 35 -5.981 3.688 -0.871 1.00 0.00 C ATOM 340 O ALA A 35 -6.299 4.750 -0.327 1.00 0.00 O ATOM 341 CB ALA A 35 -4.614 1.848 0.152 1.00 0.00 C ATOM 0 H ALA A 35 -6.309 0.507 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.497 2.554 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.039 2.598 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.665 0.932 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.128 1.640 -0.801 1.00 0.00 H new ATOM 347 N ILE A 36 -5.620 3.608 -2.155 1.00 0.00 N ATOM 348 CA ILE A 36 -5.573 4.792 -3.013 1.00 0.00 C ATOM 349 C ILE A 36 -6.942 5.476 -3.025 1.00 0.00 C ATOM 350 O ILE A 36 -7.043 6.691 -2.838 1.00 0.00 O ATOM 351 CB ILE A 36 -5.158 4.440 -4.460 1.00 0.00 C ATOM 352 CG1 ILE A 36 -3.790 3.751 -4.478 1.00 0.00 C ATOM 353 CG2 ILE A 36 -5.125 5.691 -5.329 1.00 0.00 C ATOM 354 CD1 ILE A 36 -3.569 2.876 -5.695 1.00 0.00 C ATOM 0 H ILE A 36 -5.357 2.739 -2.620 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.821 5.467 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.900 3.752 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.009 4.511 -4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.687 3.143 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.831 5.422 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.115 6.147 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.406 6.400 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.580 2.420 -5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.328 2.094 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.640 3.483 -6.597 1.00 0.00 H new ATOM 366 N VAL A 37 -7.996 4.674 -3.212 1.00 0.00 N ATOM 367 CA VAL A 37 -9.365 5.189 -3.212 1.00 0.00 C ATOM 368 C VAL A 37 -9.641 5.937 -1.910 1.00 0.00 C ATOM 369 O VAL A 37 -10.159 7.053 -1.925 1.00 0.00 O ATOM 370 CB VAL A 37 -10.403 4.055 -3.385 1.00 0.00 C ATOM 371 CG1 VAL A 37 -11.821 4.605 -3.341 1.00 0.00 C ATOM 372 CG2 VAL A 37 -10.165 3.302 -4.686 1.00 0.00 C ATOM 0 H VAL A 37 -7.925 3.668 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.461 5.869 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.282 3.358 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.532 3.788 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.992 5.093 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.956 5.328 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.906 2.509 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.253 3.991 -5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.166 2.866 -4.677 1.00 0.00 H new ATOM 382 N VAL A 38 -9.261 5.321 -0.785 1.00 0.00 N ATOM 383 CA VAL A 38 -9.436 5.940 0.527 1.00 0.00 C ATOM 384 C VAL A 38 -8.695 7.277 0.582 1.00 0.00 C ATOM 385 O VAL A 38 -9.268 8.296 0.970 1.00 0.00 O ATOM 386 CB VAL A 38 -8.924 5.023 1.665 1.00 0.00 C ATOM 387 CG1 VAL A 38 -9.088 5.699 3.017 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.648 3.685 1.648 1.00 0.00 C ATOM 0 H VAL A 38 -8.831 4.396 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.504 6.102 0.672 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.862 4.840 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.722 5.037 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.518 6.628 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.142 5.917 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.272 3.058 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.717 3.848 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.474 3.189 0.693 1.00 0.00 H new ATOM 398 N GLN A 39 -7.425 7.266 0.163 1.00 0.00 N ATOM 399 CA GLN A 39 -6.608 8.482 0.139 1.00 0.00 C ATOM 400 C GLN A 39 -7.288 9.563 -0.706 1.00 0.00 C ATOM 401 O GLN A 39 -7.353 10.733 -0.308 1.00 0.00 O ATOM 402 CB GLN A 39 -5.209 8.172 -0.412 1.00 0.00 C ATOM 403 CG GLN A 39 -4.377 7.273 0.501 1.00 0.00 C ATOM 404 CD GLN A 39 -2.881 7.425 0.293 1.00 0.00 C ATOM 405 OE1 GLN A 39 -2.178 6.453 0.023 1.00 0.00 O ATOM 406 NE2 GLN A 39 -2.379 8.644 0.429 1.00 0.00 N ATOM 0 H GLN A 39 -6.942 6.429 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.505 8.854 1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.309 7.693 -1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.675 9.109 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.617 7.500 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.657 6.234 0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.994 9.427 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.378 8.800 0.309 1.00 0.00 H new ATOM 415 N MET A 40 -7.816 9.161 -1.865 1.00 0.00 N ATOM 416 CA MET A 40 -8.519 10.088 -2.754 1.00 0.00 C ATOM 417 C MET A 40 -9.774 10.631 -2.065 1.00 0.00 C ATOM 418 O MET A 40 -9.985 11.845 -2.007 1.00 0.00 O ATOM 419 CB MET A 40 -8.895 9.389 -4.065 1.00 0.00 C ATOM 420 CG MET A 40 -7.706 9.103 -4.969 1.00 0.00 C ATOM 421 SD MET A 40 -8.183 8.898 -6.695 1.00 0.00 S ATOM 422 CE MET A 40 -7.728 10.497 -7.361 1.00 0.00 C ATOM 0 H MET A 40 -7.770 8.202 -2.209 1.00 0.00 H new ATOM 0 HA MET A 40 -7.855 10.922 -2.983 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.399 8.450 -3.834 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.610 10.010 -4.605 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.988 9.919 -4.889 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.202 8.200 -4.625 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.962 10.528 -8.425 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.285 11.278 -6.844 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.659 10.659 -7.220 1.00 0.00 H new ATOM 432 N ALA A 41 -10.589 9.719 -1.526 1.00 0.00 N ATOM 433 CA ALA A 41 -11.813 10.091 -0.817 1.00 0.00 C ATOM 434 C ALA A 41 -11.500 11.074 0.308 1.00 0.00 C ATOM 435 O ALA A 41 -12.110 12.142 0.398 1.00 0.00 O ATOM 436 CB ALA A 41 -12.506 8.848 -0.272 1.00 0.00 C ATOM 0 H ALA A 41 -10.420 8.714 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.488 10.581 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.415 9.139 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.761 8.182 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.838 8.332 0.418 1.00 0.00 H new ATOM 442 N VAL A 42 -10.522 10.719 1.146 1.00 0.00 N ATOM 443 CA VAL A 42 -10.101 11.585 2.247 1.00 0.00 C ATOM 444 C VAL A 42 -9.710 12.959 1.703 1.00 0.00 C ATOM 445 O VAL A 42 -10.124 13.991 2.232 1.00 0.00 O ATOM 446 CB VAL A 42 -8.913 10.979 3.029 1.00 0.00 C ATOM 447 CG1 VAL A 42 -8.301 12.005 3.973 1.00 0.00 C ATOM 448 CG2 VAL A 42 -9.356 9.746 3.801 1.00 0.00 C ATOM 0 H VAL A 42 -10.009 9.840 1.082 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.941 11.682 2.935 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.151 10.683 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.468 11.553 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.942 12.859 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.055 12.338 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.507 9.333 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.140 10.021 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.739 8.999 3.105 1.00 0.00 H new ATOM 458 N THR A 43 -8.934 12.955 0.619 1.00 0.00 N ATOM 459 CA THR A 43 -8.510 14.196 -0.032 1.00 0.00 C ATOM 460 C THR A 43 -9.735 15.005 -0.461 1.00 0.00 C ATOM 461 O THR A 43 -9.818 16.211 -0.208 1.00 0.00 O ATOM 462 CB THR A 43 -7.631 13.888 -1.251 1.00 0.00 C ATOM 463 OG1 THR A 43 -6.545 13.049 -0.891 1.00 0.00 O ATOM 464 CG2 THR A 43 -7.045 15.123 -1.899 1.00 0.00 C ATOM 0 H THR A 43 -8.586 12.106 0.173 1.00 0.00 H new ATOM 0 HA THR A 43 -7.927 14.781 0.679 1.00 0.00 H new ATOM 0 HB THR A 43 -8.297 13.399 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.787 12.113 -1.053 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.435 14.831 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.851 15.775 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.426 15.654 -1.176 1.00 0.00 H new ATOM 472 N MET A 44 -10.693 14.317 -1.092 1.00 0.00 N ATOM 473 CA MET A 44 -11.935 14.942 -1.546 1.00 0.00 C ATOM 474 C MET A 44 -12.692 15.566 -0.376 1.00 0.00 C ATOM 475 O MET A 44 -13.076 16.733 -0.430 1.00 0.00 O ATOM 476 CB MET A 44 -12.825 13.906 -2.246 1.00 0.00 C ATOM 477 CG MET A 44 -12.312 13.478 -3.610 1.00 0.00 C ATOM 478 SD MET A 44 -13.526 12.522 -4.539 1.00 0.00 S ATOM 479 CE MET A 44 -14.699 13.801 -4.981 1.00 0.00 C ATOM 0 H MET A 44 -10.628 13.320 -1.300 1.00 0.00 H new ATOM 0 HA MET A 44 -11.677 15.731 -2.252 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.912 13.026 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.827 14.319 -2.358 1.00 0.00 H new ATOM 0 HG2 MET A 44 -12.035 14.362 -4.184 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.407 12.884 -3.484 1.00 0.00 H new ATOM 0 HE1 MET A 44 -15.559 13.752 -4.314 1.00 0.00 H new ATOM 0 HE2 MET A 44 -14.224 14.778 -4.890 1.00 0.00 H new ATOM 0 HE3 MET A 44 -15.029 13.653 -6.009 1.00 0.00 H new ATOM 489 N VAL A 45 -12.896 14.779 0.681 1.00 0.00 N ATOM 490 CA VAL A 45 -13.600 15.250 1.875 1.00 0.00 C ATOM 491 C VAL A 45 -12.847 16.403 2.544 1.00 0.00 C ATOM 492 O VAL A 45 -13.454 17.382 2.983 1.00 0.00 O ATOM 493 CB VAL A 45 -13.795 14.109 2.899 1.00 0.00 C ATOM 494 CG1 VAL A 45 -14.453 14.626 4.169 1.00 0.00 C ATOM 495 CG2 VAL A 45 -14.622 12.982 2.297 1.00 0.00 C ATOM 0 H VAL A 45 -12.583 13.810 0.735 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.577 15.604 1.547 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.811 13.718 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.579 13.804 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.824 15.395 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -15.428 15.050 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.747 12.189 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -15.600 13.364 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.111 12.584 1.420 1.00 0.00 H new ATOM 505 N LEU A 46 -11.522 16.277 2.618 1.00 0.00 N ATOM 506 CA LEU A 46 -10.674 17.301 3.230 1.00 0.00 C ATOM 507 C LEU A 46 -10.690 18.598 2.417 1.00 0.00 C ATOM 508 O LEU A 46 -10.904 19.679 2.969 1.00 0.00 O ATOM 509 CB LEU A 46 -9.238 16.782 3.362 1.00 0.00 C ATOM 510 CG LEU A 46 -8.221 17.795 3.897 1.00 0.00 C ATOM 511 CD1 LEU A 46 -7.403 17.185 5.023 1.00 0.00 C ATOM 512 CD2 LEU A 46 -7.309 18.278 2.781 1.00 0.00 C ATOM 0 H LEU A 46 -11.010 15.471 2.259 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.072 17.520 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.242 15.914 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.903 16.438 2.384 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.767 18.652 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.686 17.919 5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.067 16.888 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.869 16.310 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.594 18.997 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.772 17.429 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.906 18.755 2.004 1.00 0.00 H new ATOM 524 N HIS A 47 -10.455 18.483 1.109 1.00 0.00 N ATOM 525 CA HIS A 47 -10.433 19.651 0.225 1.00 0.00 C ATOM 526 C HIS A 47 -11.211 19.397 -1.068 1.00 0.00 C ATOM 527 O HIS A 47 -12.162 20.116 -1.377 1.00 0.00 O ATOM 528 CB HIS A 47 -8.986 20.039 -0.099 1.00 0.00 C ATOM 529 CG HIS A 47 -8.489 21.218 0.680 1.00 0.00 C ATOM 530 ND1 HIS A 47 -7.759 22.241 0.114 1.00 0.00 N ATOM 531 CD2 HIS A 47 -8.620 21.533 1.990 1.00 0.00 C ATOM 532 CE1 HIS A 47 -7.463 23.135 1.042 1.00 0.00 C ATOM 533 NE2 HIS A 47 -7.974 22.729 2.190 1.00 0.00 N ATOM 0 H HIS A 47 -10.278 17.596 0.639 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.920 20.473 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.338 19.185 0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.908 20.259 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.137 20.952 2.739 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.899 24.043 0.887 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -7.901 23.223 3.080 1.00 0.00 H new ATOM 542 N GLY A 48 -10.797 18.380 -1.824 1.00 0.00 N ATOM 543 CA GLY A 48 -11.464 18.059 -3.079 1.00 0.00 C ATOM 544 C GLY A 48 -10.719 17.018 -3.897 1.00 0.00 C ATOM 545 O GLY A 48 -9.608 16.618 -3.544 1.00 0.00 O ATOM 0 H GLY A 48 -10.012 17.772 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.469 17.695 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.572 18.969 -3.670 1.00 0.00 H new ATOM 549 N GLN A 49 -11.332 16.576 -4.994 1.00 0.00 N ATOM 550 CA GLN A 49 -10.720 15.570 -5.867 1.00 0.00 C ATOM 551 C GLN A 49 -9.595 16.174 -6.717 1.00 0.00 C ATOM 552 O GLN A 49 -9.722 16.301 -7.937 1.00 0.00 O ATOM 553 CB GLN A 49 -11.783 14.921 -6.766 1.00 0.00 C ATOM 554 CG GLN A 49 -12.684 15.919 -7.485 1.00 0.00 C ATOM 555 CD GLN A 49 -12.897 15.576 -8.946 1.00 0.00 C ATOM 556 OE1 GLN A 49 -14.000 15.228 -9.357 1.00 0.00 O ATOM 557 NE2 GLN A 49 -11.842 15.673 -9.738 1.00 0.00 N ATOM 0 H GLN A 49 -12.250 16.897 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.280 14.801 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.284 14.298 -7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.402 14.260 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.650 15.957 -6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.247 16.915 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.943 15.966 -9.356 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.928 15.455 -10.731 1.00 0.00 H new ATOM 566 N VAL A 50 -8.493 16.541 -6.060 1.00 0.00 N ATOM 567 CA VAL A 50 -7.342 17.132 -6.750 1.00 0.00 C ATOM 568 C VAL A 50 -6.020 16.604 -6.192 1.00 0.00 C ATOM 569 O VAL A 50 -5.781 16.645 -4.984 1.00 0.00 O ATOM 570 CB VAL A 50 -7.344 18.676 -6.655 1.00 0.00 C ATOM 571 CG1 VAL A 50 -8.366 19.274 -7.609 1.00 0.00 C ATOM 572 CG2 VAL A 50 -7.610 19.139 -5.229 1.00 0.00 C ATOM 0 H VAL A 50 -8.372 16.440 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.433 16.841 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.354 19.028 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.350 20.361 -7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.122 18.985 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.360 18.905 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.605 20.228 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.582 18.769 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.833 18.751 -4.570 1.00 0.00 H new ATOM 582 N GLU A 51 -5.155 16.113 -7.081 1.00 0.00 N ATOM 583 CA GLU A 51 -3.853 15.586 -6.672 1.00 0.00 C ATOM 584 C GLU A 51 -2.863 16.727 -6.416 1.00 0.00 C ATOM 585 O GLU A 51 -2.035 17.050 -7.269 1.00 0.00 O ATOM 586 CB GLU A 51 -3.305 14.627 -7.737 1.00 0.00 C ATOM 587 CG GLU A 51 -3.841 13.206 -7.607 1.00 0.00 C ATOM 588 CD GLU A 51 -3.238 12.435 -6.440 1.00 0.00 C ATOM 589 OE1 GLU A 51 -2.719 13.075 -5.497 1.00 0.00 O ATOM 590 OE2 GLU A 51 -3.291 11.189 -6.471 1.00 0.00 O ATOM 0 H GLU A 51 -5.332 16.069 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.984 15.033 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.555 15.013 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.217 14.604 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.924 13.244 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.642 12.665 -8.532 1.00 0.00 H new ATOM 597 N SER A 52 -2.974 17.341 -5.233 1.00 0.00 N ATOM 598 CA SER A 52 -2.111 18.463 -4.838 1.00 0.00 C ATOM 599 C SER A 52 -2.516 19.749 -5.560 1.00 0.00 C ATOM 600 O SER A 52 -3.307 19.721 -6.503 1.00 0.00 O ATOM 601 CB SER A 52 -0.634 18.150 -5.113 1.00 0.00 C ATOM 602 OG SER A 52 -0.208 17.023 -4.369 1.00 0.00 O ATOM 0 H SER A 52 -3.660 17.077 -4.525 1.00 0.00 H new ATOM 0 HA SER A 52 -2.240 18.611 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.490 17.964 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.021 19.014 -4.855 1.00 0.00 H new ATOM 0 HG SER A 52 0.736 16.841 -4.562 1.00 0.00 H new ATOM 608 N ILE A 53 -1.974 20.880 -5.112 1.00 0.00 N ATOM 609 CA ILE A 53 -2.292 22.168 -5.722 1.00 0.00 C ATOM 610 C ILE A 53 -1.025 22.949 -6.084 1.00 0.00 C ATOM 611 O ILE A 53 -0.225 23.297 -5.215 1.00 0.00 O ATOM 612 CB ILE A 53 -3.199 23.025 -4.803 1.00 0.00 C ATOM 613 CG1 ILE A 53 -3.660 24.290 -5.530 1.00 0.00 C ATOM 614 CG2 ILE A 53 -2.488 23.391 -3.507 1.00 0.00 C ATOM 615 CD1 ILE A 53 -4.990 24.817 -5.037 1.00 0.00 C ATOM 0 H ILE A 53 -1.317 20.930 -4.334 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.837 21.953 -6.641 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.074 22.426 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.903 25.065 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.734 24.080 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.152 23.992 -2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.215 22.481 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.588 23.962 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.255 25.714 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.759 24.058 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.915 25.059 -3.977 1.00 0.00 H new ATOM 627 N ASP A 54 -0.862 23.223 -7.381 1.00 0.00 N ATOM 628 CA ASP A 54 0.288 23.973 -7.893 1.00 0.00 C ATOM 629 C ASP A 54 1.623 23.462 -7.325 1.00 0.00 C ATOM 630 O ASP A 54 2.460 24.246 -6.871 1.00 0.00 O ATOM 631 CB ASP A 54 0.102 25.463 -7.581 1.00 0.00 C ATOM 632 CG ASP A 54 -1.097 26.058 -8.290 1.00 0.00 C ATOM 633 OD1 ASP A 54 -2.239 25.709 -7.923 1.00 0.00 O ATOM 634 OD2 ASP A 54 -0.894 26.873 -9.212 1.00 0.00 O ATOM 0 H ASP A 54 -1.521 22.932 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 54 0.333 23.824 -8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.014 25.594 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.000 26.007 -7.873 1.00 0.00 H new ATOM 639 N VAL A 55 1.823 22.145 -7.365 1.00 0.00 N ATOM 640 CA VAL A 55 3.060 21.542 -6.862 1.00 0.00 C ATOM 641 C VAL A 55 3.274 20.135 -7.437 1.00 0.00 C ATOM 642 O VAL A 55 2.667 19.162 -6.981 1.00 0.00 O ATOM 643 CB VAL A 55 3.076 21.488 -5.315 1.00 0.00 C ATOM 644 CG1 VAL A 55 1.825 20.809 -4.774 1.00 0.00 C ATOM 645 CG2 VAL A 55 4.328 20.786 -4.810 1.00 0.00 C ATOM 0 H VAL A 55 1.149 21.477 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 55 3.880 22.179 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 55 3.087 22.514 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.865 20.786 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.943 21.364 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.770 19.790 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.316 20.761 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.355 19.767 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.211 21.327 -5.151 1.00 0.00 H new ATOM 655 N ILE A 56 4.143 20.033 -8.440 1.00 0.00 N ATOM 656 CA ILE A 56 4.438 18.747 -9.075 1.00 0.00 C ATOM 657 C ILE A 56 5.375 17.896 -8.208 1.00 0.00 C ATOM 658 O ILE A 56 6.518 17.614 -8.579 1.00 0.00 O ATOM 659 CB ILE A 56 5.041 18.941 -10.491 1.00 0.00 C ATOM 660 CG1 ILE A 56 5.295 17.586 -11.159 1.00 0.00 C ATOM 661 CG2 ILE A 56 6.326 19.757 -10.429 1.00 0.00 C ATOM 662 CD1 ILE A 56 5.290 17.647 -12.670 1.00 0.00 C ATOM 0 H ILE A 56 4.656 20.823 -8.831 1.00 0.00 H new ATOM 0 HA ILE A 56 3.492 18.215 -9.177 1.00 0.00 H new ATOM 0 HB ILE A 56 4.319 19.492 -11.093 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.257 17.199 -10.822 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.534 16.879 -10.829 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.729 19.879 -11.435 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.114 20.737 -10.002 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.056 19.240 -9.806 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.476 16.652 -13.075 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.320 18.004 -13.017 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.070 18.329 -13.009 1.00 0.00 H new ATOM 674 N ARG A 57 4.884 17.485 -7.043 1.00 0.00 N ATOM 675 CA ARG A 57 5.678 16.670 -6.125 1.00 0.00 C ATOM 676 C ARG A 57 5.583 15.182 -6.476 1.00 0.00 C ATOM 677 O ARG A 57 5.118 14.367 -5.674 1.00 0.00 O ATOM 678 CB ARG A 57 5.238 16.916 -4.678 1.00 0.00 C ATOM 679 CG ARG A 57 6.166 17.853 -3.924 1.00 0.00 C ATOM 680 CD ARG A 57 5.958 17.757 -2.423 1.00 0.00 C ATOM 681 NE ARG A 57 6.150 19.053 -1.771 1.00 0.00 N ATOM 682 CZ ARG A 57 6.619 19.216 -0.541 1.00 0.00 C ATOM 683 NH1 ARG A 57 6.940 18.175 0.202 1.00 0.00 N ATOM 684 NH2 ARG A 57 6.759 20.431 -0.055 1.00 0.00 N ATOM 0 H ARG A 57 3.944 17.701 -6.712 1.00 0.00 H new ATOM 0 HA ARG A 57 6.722 16.966 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.231 17.333 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.189 15.962 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.201 17.612 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.993 18.878 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.953 17.390 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.655 17.031 -2.004 1.00 0.00 H new ATOM 0 HE ARG A 57 5.906 19.890 -2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.829 17.231 -0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.300 18.314 1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.507 21.240 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.119 20.564 0.890 1.00 0.00 H new ATOM 698 N SER A 58 6.044 14.834 -7.676 1.00 0.00 N ATOM 699 CA SER A 58 6.027 13.446 -8.140 1.00 0.00 C ATOM 700 C SER A 58 7.030 12.601 -7.357 1.00 0.00 C ATOM 701 O SER A 58 6.642 11.741 -6.565 1.00 0.00 O ATOM 702 CB SER A 58 6.340 13.380 -9.637 1.00 0.00 C ATOM 703 OG SER A 58 7.633 13.904 -9.911 1.00 0.00 O ATOM 0 H SER A 58 6.435 15.495 -8.347 1.00 0.00 H new ATOM 0 HA SER A 58 5.028 13.043 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.283 12.347 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.590 13.942 -10.194 1.00 0.00 H new ATOM 0 HG SER A 58 7.811 13.850 -10.873 1.00 0.00 H new ATOM 709 N ILE A 59 8.323 12.860 -7.577 1.00 0.00 N ATOM 710 CA ILE A 59 9.394 12.131 -6.888 1.00 0.00 C ATOM 711 C ILE A 59 9.118 12.026 -5.385 1.00 0.00 C ATOM 712 O ILE A 59 9.375 10.990 -4.769 1.00 0.00 O ATOM 713 CB ILE A 59 10.773 12.798 -7.106 1.00 0.00 C ATOM 714 CG1 ILE A 59 11.061 12.967 -8.600 1.00 0.00 C ATOM 715 CG2 ILE A 59 11.874 11.974 -6.448 1.00 0.00 C ATOM 716 CD1 ILE A 59 11.063 14.409 -9.057 1.00 0.00 C ATOM 0 H ILE A 59 8.654 13.571 -8.229 1.00 0.00 H new ATOM 0 HA ILE A 59 9.416 11.130 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 59 10.751 13.785 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.029 12.521 -8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.314 12.415 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.837 12.458 -6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.682 11.899 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.891 10.975 -6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.274 14.452 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.087 14.854 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.829 14.962 -8.514 1.00 0.00 H new ATOM 728 N PHE A 60 8.573 13.102 -4.804 1.00 0.00 N ATOM 729 CA PHE A 60 8.241 13.130 -3.377 1.00 0.00 C ATOM 730 C PHE A 60 7.464 11.874 -2.962 1.00 0.00 C ATOM 731 O PHE A 60 7.610 11.394 -1.834 1.00 0.00 O ATOM 732 CB PHE A 60 7.427 14.386 -3.047 1.00 0.00 C ATOM 733 CG PHE A 60 7.208 14.595 -1.573 1.00 0.00 C ATOM 734 CD1 PHE A 60 8.280 14.814 -0.724 1.00 0.00 C ATOM 735 CD2 PHE A 60 5.930 14.571 -1.041 1.00 0.00 C ATOM 736 CE1 PHE A 60 8.083 15.003 0.631 1.00 0.00 C ATOM 737 CE2 PHE A 60 5.725 14.760 0.313 1.00 0.00 C ATOM 738 CZ PHE A 60 6.802 14.976 1.150 1.00 0.00 C ATOM 0 H PHE A 60 8.353 13.965 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 60 9.175 13.151 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.938 15.257 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.459 14.322 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.282 14.837 -1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.084 14.403 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.928 15.171 1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.723 14.739 0.716 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.644 15.124 2.208 1.00 0.00 H new ATOM 748 N PHE A 61 6.653 11.336 -3.884 1.00 0.00 N ATOM 749 CA PHE A 61 5.869 10.127 -3.616 1.00 0.00 C ATOM 750 C PHE A 61 6.738 9.027 -3.002 1.00 0.00 C ATOM 751 O PHE A 61 6.255 8.233 -2.196 1.00 0.00 O ATOM 752 CB PHE A 61 5.203 9.616 -4.898 1.00 0.00 C ATOM 753 CG PHE A 61 3.879 8.950 -4.656 1.00 0.00 C ATOM 754 CD1 PHE A 61 3.819 7.660 -4.154 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.696 9.616 -4.927 1.00 0.00 C ATOM 756 CE1 PHE A 61 2.602 7.046 -3.928 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.476 9.008 -4.701 1.00 0.00 C ATOM 758 CZ PHE A 61 1.429 7.721 -4.201 1.00 0.00 C ATOM 0 H PHE A 61 6.524 11.720 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 61 5.093 10.391 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.061 10.452 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.872 8.910 -5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.734 7.128 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.727 10.622 -5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.568 6.039 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.560 9.538 -4.915 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.476 7.244 -4.024 1.00 0.00 H new ATOM 768 N GLY A 62 8.022 8.993 -3.380 1.00 0.00 N ATOM 769 CA GLY A 62 8.943 8.000 -2.844 1.00 0.00 C ATOM 770 C GLY A 62 8.804 7.832 -1.343 1.00 0.00 C ATOM 771 O GLY A 62 8.822 6.711 -0.839 1.00 0.00 O ATOM 0 H GLY A 62 8.438 9.639 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.764 7.042 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.966 8.292 -3.081 1.00 0.00 H new ATOM 775 N LEU A 63 8.631 8.946 -0.626 1.00 0.00 N ATOM 776 CA LEU A 63 8.459 8.900 0.827 1.00 0.00 C ATOM 777 C LEU A 63 7.291 7.982 1.195 1.00 0.00 C ATOM 778 O LEU A 63 7.407 7.141 2.090 1.00 0.00 O ATOM 779 CB LEU A 63 8.222 10.309 1.385 1.00 0.00 C ATOM 780 CG LEU A 63 9.130 10.711 2.552 1.00 0.00 C ATOM 781 CD1 LEU A 63 8.987 9.734 3.707 1.00 0.00 C ATOM 782 CD2 LEU A 63 10.580 10.788 2.100 1.00 0.00 C ATOM 0 H LEU A 63 8.607 9.884 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 63 9.371 8.501 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.355 11.029 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.184 10.383 1.711 1.00 0.00 H new ATOM 0 HG LEU A 63 8.822 11.698 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.641 10.039 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.953 9.728 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.265 8.734 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.209 11.075 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.897 9.814 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.675 11.530 1.307 1.00 0.00 H new ATOM 794 N LEU A 64 6.179 8.130 0.471 1.00 0.00 N ATOM 795 CA LEU A 64 4.993 7.301 0.688 1.00 0.00 C ATOM 796 C LEU A 64 5.319 5.819 0.491 1.00 0.00 C ATOM 797 O LEU A 64 4.660 4.949 1.068 1.00 0.00 O ATOM 798 CB LEU A 64 3.867 7.720 -0.265 1.00 0.00 C ATOM 799 CG LEU A 64 3.208 9.066 0.051 1.00 0.00 C ATOM 800 CD1 LEU A 64 3.769 10.163 -0.840 1.00 0.00 C ATOM 801 CD2 LEU A 64 1.702 8.973 -0.119 1.00 0.00 C ATOM 0 H LEU A 64 6.076 8.820 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 64 4.662 7.448 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.267 7.759 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.099 6.947 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 64 3.429 9.317 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.287 11.110 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.843 10.251 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.580 9.916 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.250 9.938 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.468 8.697 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.305 8.217 0.559 1.00 0.00 H new ATOM 813 N ILE A 65 6.348 5.535 -0.315 1.00 0.00 N ATOM 814 CA ILE A 65 6.762 4.158 -0.568 1.00 0.00 C ATOM 815 C ILE A 65 7.193 3.462 0.726 1.00 0.00 C ATOM 816 O ILE A 65 7.053 2.246 0.847 1.00 0.00 O ATOM 817 CB ILE A 65 7.908 4.079 -1.603 1.00 0.00 C ATOM 818 CG1 ILE A 65 7.472 4.698 -2.934 1.00 0.00 C ATOM 819 CG2 ILE A 65 8.345 2.635 -1.812 1.00 0.00 C ATOM 820 CD1 ILE A 65 8.574 4.744 -3.972 1.00 0.00 C ATOM 0 H ILE A 65 6.905 6.239 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 65 5.893 3.644 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 65 8.756 4.644 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.633 4.128 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.112 5.711 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.152 2.601 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.695 2.220 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.501 2.048 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.192 5.195 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.405 5.339 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.918 3.731 -4.182 1.00 0.00 H new ATOM 832 N THR A 66 7.705 4.226 1.700 1.00 0.00 N ATOM 833 CA THR A 66 8.128 3.635 2.975 1.00 0.00 C ATOM 834 C THR A 66 6.935 2.987 3.684 1.00 0.00 C ATOM 835 O THR A 66 6.916 1.768 3.877 1.00 0.00 O ATOM 836 CB THR A 66 8.801 4.676 3.883 1.00 0.00 C ATOM 837 OG1 THR A 66 9.688 5.497 3.144 1.00 0.00 O ATOM 838 CG2 THR A 66 9.595 4.058 5.012 1.00 0.00 C ATOM 0 H THR A 66 7.835 5.235 1.632 1.00 0.00 H new ATOM 0 HA THR A 66 8.867 2.864 2.758 1.00 0.00 H new ATOM 0 HB THR A 66 7.981 5.258 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.183 6.217 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.044 4.847 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.933 3.457 5.636 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.380 3.424 4.600 1.00 0.00 H new ATOM 846 N PRO A 67 5.900 3.778 4.061 1.00 0.00 N ATOM 847 CA PRO A 67 4.706 3.234 4.717 1.00 0.00 C ATOM 848 C PRO A 67 3.970 2.250 3.807 1.00 0.00 C ATOM 849 O PRO A 67 3.506 1.202 4.261 1.00 0.00 O ATOM 850 CB PRO A 67 3.843 4.472 4.999 1.00 0.00 C ATOM 851 CG PRO A 67 4.331 5.508 4.047 1.00 0.00 C ATOM 852 CD PRO A 67 5.798 5.236 3.856 1.00 0.00 C ATOM 0 HA PRO A 67 4.947 2.673 5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.785 4.260 4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.953 4.802 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.796 5.450 3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.168 6.510 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.135 5.527 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.406 5.787 4.573 1.00 0.00 H new ATOM 860 N TRP A 68 3.893 2.584 2.513 1.00 0.00 N ATOM 861 CA TRP A 68 3.240 1.722 1.527 1.00 0.00 C ATOM 862 C TRP A 68 3.904 0.345 1.504 1.00 0.00 C ATOM 863 O TRP A 68 3.226 -0.681 1.588 1.00 0.00 O ATOM 864 CB TRP A 68 3.309 2.357 0.132 1.00 0.00 C ATOM 865 CG TRP A 68 2.230 3.365 -0.137 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.657 4.222 0.761 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.596 3.623 -1.396 1.00 0.00 C ATOM 868 NE1 TRP A 68 0.704 4.993 0.135 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.649 4.644 -1.187 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.739 3.088 -2.680 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.150 5.137 -2.215 1.00 0.00 C ATOM 872 CZ3 TRP A 68 0.944 3.581 -3.700 1.00 0.00 C ATOM 873 CH2 TRP A 68 0.010 4.597 -3.461 1.00 0.00 C ATOM 0 H TRP A 68 4.276 3.447 2.127 1.00 0.00 H new ATOM 0 HA TRP A 68 2.194 1.606 1.810 1.00 0.00 H new ATOM 0 HB2 TRP A 68 4.279 2.839 0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.249 1.568 -0.618 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.914 4.285 1.808 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.132 5.708 0.584 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.457 2.304 -2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.872 5.920 -2.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.045 3.176 -4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.596 4.961 -4.277 1.00 0.00 H new ATOM 884 N ALA A 69 5.237 0.336 1.405 1.00 0.00 N ATOM 885 CA ALA A 69 6.005 -0.905 1.387 1.00 0.00 C ATOM 886 C ALA A 69 5.867 -1.649 2.713 1.00 0.00 C ATOM 887 O ALA A 69 5.603 -2.849 2.726 1.00 0.00 O ATOM 888 CB ALA A 69 7.470 -0.620 1.083 1.00 0.00 C ATOM 0 H ALA A 69 5.805 1.180 1.336 1.00 0.00 H new ATOM 0 HA ALA A 69 5.605 -1.542 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.028 -1.556 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.552 -0.138 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.879 0.039 1.849 1.00 0.00 H new ATOM 894 N VAL A 70 6.035 -0.930 3.827 1.00 0.00 N ATOM 895 CA VAL A 70 5.913 -1.532 5.159 1.00 0.00 C ATOM 896 C VAL A 70 4.543 -2.196 5.326 1.00 0.00 C ATOM 897 O VAL A 70 4.449 -3.360 5.738 1.00 0.00 O ATOM 898 CB VAL A 70 6.120 -0.486 6.278 1.00 0.00 C ATOM 899 CG1 VAL A 70 5.731 -1.056 7.636 1.00 0.00 C ATOM 900 CG2 VAL A 70 7.562 -0.005 6.302 1.00 0.00 C ATOM 0 H VAL A 70 6.255 0.066 3.834 1.00 0.00 H new ATOM 0 HA VAL A 70 6.695 -2.286 5.246 1.00 0.00 H new ATOM 0 HB VAL A 70 5.472 0.365 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.886 -0.300 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.681 -1.348 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.347 -1.928 7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.687 0.731 7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.225 -0.851 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.810 0.451 5.343 1.00 0.00 H new ATOM 910 N TYR A 71 3.483 -1.457 4.990 1.00 0.00 N ATOM 911 CA TYR A 71 2.123 -1.985 5.088 1.00 0.00 C ATOM 912 C TYR A 71 1.932 -3.136 4.103 1.00 0.00 C ATOM 913 O TYR A 71 1.562 -4.241 4.496 1.00 0.00 O ATOM 914 CB TYR A 71 1.095 -0.881 4.817 1.00 0.00 C ATOM 915 CG TYR A 71 0.618 -0.172 6.066 1.00 0.00 C ATOM 916 CD1 TYR A 71 -0.351 -0.740 6.883 1.00 0.00 C ATOM 917 CD2 TYR A 71 1.133 1.066 6.424 1.00 0.00 C ATOM 918 CE1 TYR A 71 -0.792 -0.093 8.022 1.00 0.00 C ATOM 919 CE2 TYR A 71 0.698 1.720 7.561 1.00 0.00 C ATOM 920 CZ TYR A 71 -0.265 1.136 8.356 1.00 0.00 C ATOM 921 OH TYR A 71 -0.702 1.785 9.487 1.00 0.00 O ATOM 0 H TYR A 71 3.541 -0.497 4.650 1.00 0.00 H new ATOM 0 HA TYR A 71 1.970 -2.358 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.533 -0.148 4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.236 -1.315 4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.767 -1.703 6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.887 1.526 5.803 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.546 -0.548 8.647 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.110 2.683 7.825 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.229 2.638 9.578 1.00 0.00 H new ATOM 931 N PHE A 72 2.206 -2.869 2.820 1.00 0.00 N ATOM 932 CA PHE A 72 2.080 -3.883 1.769 1.00 0.00 C ATOM 933 C PHE A 72 2.794 -5.177 2.167 1.00 0.00 C ATOM 934 O PHE A 72 2.213 -6.258 2.091 1.00 0.00 O ATOM 935 CB PHE A 72 2.646 -3.345 0.448 1.00 0.00 C ATOM 936 CG PHE A 72 2.743 -4.380 -0.640 1.00 0.00 C ATOM 937 CD1 PHE A 72 1.616 -4.778 -1.340 1.00 0.00 C ATOM 938 CD2 PHE A 72 3.964 -4.951 -0.960 1.00 0.00 C ATOM 939 CE1 PHE A 72 1.706 -5.728 -2.339 1.00 0.00 C ATOM 940 CE2 PHE A 72 4.059 -5.902 -1.958 1.00 0.00 C ATOM 941 CZ PHE A 72 2.928 -6.291 -2.649 1.00 0.00 C ATOM 0 H PHE A 72 2.517 -1.957 2.486 1.00 0.00 H new ATOM 0 HA PHE A 72 1.022 -4.109 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.017 -2.525 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.637 -2.930 0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.657 -4.341 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.851 -4.649 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.820 -6.030 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.016 -6.341 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.999 -7.034 -3.430 1.00 0.00 H new ATOM 951 N LEU A 73 4.050 -5.056 2.606 1.00 0.00 N ATOM 952 CA LEU A 73 4.830 -6.218 3.032 1.00 0.00 C ATOM 953 C LEU A 73 4.118 -6.939 4.173 1.00 0.00 C ATOM 954 O LEU A 73 3.911 -8.150 4.118 1.00 0.00 O ATOM 955 CB LEU A 73 6.241 -5.797 3.470 1.00 0.00 C ATOM 956 CG LEU A 73 7.388 -6.475 2.716 1.00 0.00 C ATOM 957 CD1 LEU A 73 7.414 -7.967 3.006 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.265 -6.225 1.221 1.00 0.00 C ATOM 0 H LEU A 73 4.546 -4.167 2.675 1.00 0.00 H new ATOM 0 HA LEU A 73 4.923 -6.898 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.335 -4.718 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.352 -6.008 4.534 1.00 0.00 H new ATOM 0 HG LEU A 73 8.327 -6.043 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.237 -8.429 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.552 -8.127 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.472 -8.415 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.089 -6.714 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.318 -6.628 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.300 -5.153 1.027 1.00 0.00 H new ATOM 970 N SER A 74 3.723 -6.176 5.196 1.00 0.00 N ATOM 971 CA SER A 74 3.004 -6.737 6.342 1.00 0.00 C ATOM 972 C SER A 74 1.776 -7.508 5.858 1.00 0.00 C ATOM 973 O SER A 74 1.579 -8.678 6.211 1.00 0.00 O ATOM 974 CB SER A 74 2.588 -5.620 7.309 1.00 0.00 C ATOM 975 OG SER A 74 3.706 -4.828 7.693 1.00 0.00 O ATOM 0 H SER A 74 3.889 -5.171 5.254 1.00 0.00 H new ATOM 0 HA SER A 74 3.664 -7.423 6.873 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.836 -4.988 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.126 -6.056 8.195 1.00 0.00 H new ATOM 0 HG SER A 74 3.752 -4.030 7.126 1.00 0.00 H new ATOM 981 N VAL A 75 0.976 -6.853 5.012 1.00 0.00 N ATOM 982 CA VAL A 75 -0.210 -7.474 4.437 1.00 0.00 C ATOM 983 C VAL A 75 0.183 -8.745 3.688 1.00 0.00 C ATOM 984 O VAL A 75 -0.383 -9.802 3.919 1.00 0.00 O ATOM 985 CB VAL A 75 -0.954 -6.518 3.473 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.266 -7.133 3.008 1.00 0.00 C ATOM 987 CG2 VAL A 75 -1.207 -5.171 4.134 1.00 0.00 C ATOM 0 H VAL A 75 1.133 -5.891 4.712 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.885 -7.715 5.258 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.319 -6.360 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.771 -6.444 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.065 -8.069 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.903 -7.327 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.731 -4.516 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.816 -5.312 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.256 -4.718 4.412 1.00 0.00 H new ATOM 997 N VAL A 76 1.184 -8.636 2.813 1.00 0.00 N ATOM 998 CA VAL A 76 1.678 -9.785 2.049 1.00 0.00 C ATOM 999 C VAL A 76 1.982 -10.968 2.975 1.00 0.00 C ATOM 1000 O VAL A 76 1.724 -12.120 2.623 1.00 0.00 O ATOM 1001 CB VAL A 76 2.952 -9.419 1.247 1.00 0.00 C ATOM 1002 CG1 VAL A 76 3.591 -10.658 0.630 1.00 0.00 C ATOM 1003 CG2 VAL A 76 2.630 -8.400 0.165 1.00 0.00 C ATOM 0 H VAL A 76 1.670 -7.762 2.615 1.00 0.00 H new ATOM 0 HA VAL A 76 0.892 -10.071 1.350 1.00 0.00 H new ATOM 0 HB VAL A 76 3.667 -8.979 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.483 -10.369 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.867 -11.357 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.881 -11.136 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.538 -8.156 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.891 -8.817 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.231 -7.496 0.624 1.00 0.00 H new ATOM 1013 N VAL A 77 2.527 -10.672 4.158 1.00 0.00 N ATOM 1014 CA VAL A 77 2.863 -11.708 5.134 1.00 0.00 C ATOM 1015 C VAL A 77 1.609 -12.369 5.710 1.00 0.00 C ATOM 1016 O VAL A 77 1.495 -13.595 5.706 1.00 0.00 O ATOM 1017 CB VAL A 77 3.715 -11.144 6.296 1.00 0.00 C ATOM 1018 CG1 VAL A 77 4.096 -12.252 7.269 1.00 0.00 C ATOM 1019 CG2 VAL A 77 4.961 -10.449 5.769 1.00 0.00 C ATOM 0 H VAL A 77 2.744 -9.723 4.462 1.00 0.00 H new ATOM 0 HA VAL A 77 3.445 -12.456 4.597 1.00 0.00 H new ATOM 0 HB VAL A 77 3.113 -10.407 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.695 -11.835 8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.192 -12.702 7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.674 -13.013 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.543 -10.061 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.565 -11.161 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.670 -9.625 5.117 1.00 0.00 H new ATOM 1029 N GLU A 78 0.677 -11.560 6.220 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.558 -12.093 6.816 1.00 0.00 C ATOM 1031 C GLU A 78 -1.630 -12.424 5.768 1.00 0.00 C ATOM 1032 O GLU A 78 -2.366 -13.403 5.917 1.00 0.00 O ATOM 1033 CB GLU A 78 -1.122 -11.103 7.838 1.00 0.00 C ATOM 1034 CG GLU A 78 -0.560 -11.294 9.239 1.00 0.00 C ATOM 1035 CD GLU A 78 0.609 -10.379 9.526 1.00 0.00 C ATOM 1036 OE1 GLU A 78 1.741 -10.707 9.116 1.00 0.00 O ATOM 1037 OE2 GLU A 78 0.394 -9.326 10.163 1.00 0.00 O ATOM 0 H GLU A 78 0.749 -10.543 6.234 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.290 -13.027 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.909 -10.087 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.207 -11.206 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.347 -11.112 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.244 -12.330 9.362 1.00 0.00 H new ATOM 1044 N GLN A 79 -1.723 -11.608 4.720 1.00 0.00 N ATOM 1045 CA GLN A 79 -2.714 -11.807 3.660 1.00 0.00 C ATOM 1046 C GLN A 79 -2.390 -13.040 2.803 1.00 0.00 C ATOM 1047 O GLN A 79 -2.121 -12.933 1.604 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.798 -10.549 2.782 1.00 0.00 C ATOM 1049 CG GLN A 79 -3.933 -10.580 1.767 1.00 0.00 C ATOM 1050 CD GLN A 79 -3.477 -10.215 0.369 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -3.966 -9.259 -0.228 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -2.532 -10.976 -0.164 1.00 0.00 N ATOM 0 H GLN A 79 -1.120 -10.797 4.580 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.681 -11.983 4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.922 -9.677 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.853 -10.423 2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.375 -11.576 1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.715 -9.889 2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.151 -11.761 0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.185 -10.777 -1.102 1.00 0.00 H new ATOM 1061 N LEU A 80 -2.428 -14.213 3.436 1.00 0.00 N ATOM 1062 CA LEU A 80 -2.151 -15.476 2.752 1.00 0.00 C ATOM 1063 C LEU A 80 -3.447 -16.197 2.365 1.00 0.00 C ATOM 1064 O LEU A 80 -3.574 -16.706 1.251 1.00 0.00 O ATOM 1065 CB LEU A 80 -1.293 -16.382 3.643 1.00 0.00 C ATOM 1066 CG LEU A 80 -0.375 -17.352 2.893 1.00 0.00 C ATOM 1067 CD1 LEU A 80 0.991 -17.408 3.554 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -0.996 -18.739 2.839 1.00 0.00 C ATOM 0 H LEU A 80 -2.649 -14.314 4.427 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.605 -15.249 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.681 -15.754 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.953 -16.959 4.291 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.251 -16.990 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.631 -18.102 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.441 -16.415 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.883 -17.747 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.330 -19.415 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.149 -19.109 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.955 -18.689 2.323 1.00 0.00 H new ATOM 1080 N GLU A 81 -4.407 -16.244 3.294 1.00 0.00 N ATOM 1081 CA GLU A 81 -5.686 -16.910 3.047 1.00 0.00 C ATOM 1082 C GLU A 81 -6.855 -15.920 3.069 1.00 0.00 C ATOM 1083 O GLU A 81 -7.189 -15.358 4.118 1.00 0.00 O ATOM 1084 CB GLU A 81 -5.915 -18.007 4.094 1.00 0.00 C ATOM 1085 CG GLU A 81 -7.131 -18.881 3.811 1.00 0.00 C ATOM 1086 CD GLU A 81 -7.769 -19.426 5.073 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -7.283 -20.450 5.590 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -8.754 -18.817 5.550 1.00 0.00 O ATOM 0 H GLU A 81 -4.321 -15.829 4.222 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.642 -17.354 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.028 -18.639 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.032 -17.543 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.869 -18.300 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.834 -19.712 3.171 1.00 0.00 H new ATOM 1095 N GLU A 82 -7.481 -15.720 1.909 1.00 0.00 N ATOM 1096 CA GLU A 82 -8.622 -14.814 1.794 1.00 0.00 C ATOM 1097 C GLU A 82 -9.818 -15.511 1.135 1.00 0.00 C ATOM 1098 O GLU A 82 -9.660 -16.279 0.179 1.00 0.00 O ATOM 1099 CB GLU A 82 -8.242 -13.559 0.998 1.00 0.00 C ATOM 1100 CG GLU A 82 -8.848 -12.275 1.556 1.00 0.00 C ATOM 1101 CD GLU A 82 -10.341 -12.382 1.802 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -10.733 -12.833 2.901 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -11.123 -12.034 0.893 1.00 0.00 O ATOM 0 H GLU A 82 -7.216 -16.174 1.035 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.910 -14.517 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.156 -13.462 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.564 -13.683 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.349 -12.021 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.658 -11.458 0.860 1.00 0.00 H new ATOM 1110 N SER A 83 -11.013 -15.239 1.654 1.00 0.00 N ATOM 1111 CA SER A 83 -12.246 -15.831 1.125 1.00 0.00 C ATOM 1112 C SER A 83 -13.488 -15.206 1.773 1.00 0.00 C ATOM 1113 O SER A 83 -14.474 -15.898 2.043 1.00 0.00 O ATOM 1114 CB SER A 83 -12.244 -17.348 1.342 1.00 0.00 C ATOM 1115 OG SER A 83 -11.550 -18.011 0.297 1.00 0.00 O ATOM 0 H SER A 83 -11.157 -14.610 2.444 1.00 0.00 H new ATOM 0 HA SER A 83 -12.284 -15.624 0.055 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.777 -17.581 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.270 -17.713 1.391 1.00 0.00 H new ATOM 0 HG SER A 83 -10.647 -17.639 0.217 1.00 0.00 H new ATOM 1121 N ARG A 84 -13.434 -13.893 2.019 1.00 0.00 N ATOM 1122 CA ARG A 84 -14.552 -13.172 2.636 1.00 0.00 C ATOM 1123 C ARG A 84 -14.229 -11.686 2.818 1.00 0.00 C ATOM 1124 O ARG A 84 -15.035 -10.828 2.461 1.00 0.00 O ATOM 1125 CB ARG A 84 -14.908 -13.796 3.991 1.00 0.00 C ATOM 1126 CG ARG A 84 -16.360 -14.240 4.095 1.00 0.00 C ATOM 1127 CD ARG A 84 -17.299 -13.050 4.217 1.00 0.00 C ATOM 1128 NE ARG A 84 -18.590 -13.429 4.803 1.00 0.00 N ATOM 1129 CZ ARG A 84 -19.565 -14.045 4.140 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -19.407 -14.377 2.874 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -20.698 -14.331 4.754 1.00 0.00 N ATOM 0 H ARG A 84 -12.628 -13.308 1.800 1.00 0.00 H new ATOM 0 HA ARG A 84 -15.407 -13.255 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -14.261 -14.655 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.700 -13.073 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -16.626 -14.826 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.481 -14.891 4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.832 -12.281 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.462 -12.614 3.232 1.00 0.00 H new ATOM 0 HE ARG A 84 -18.751 -13.205 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -18.532 -14.162 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.160 -14.849 2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -20.824 -14.080 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -21.447 -14.803 4.248 1.00 0.00 H new ATOM 1145 N GLN A 85 -13.048 -11.394 3.370 1.00 0.00 N ATOM 1146 CA GLN A 85 -12.612 -10.012 3.598 1.00 0.00 C ATOM 1147 C GLN A 85 -11.236 -9.969 4.269 1.00 0.00 C ATOM 1148 O GLN A 85 -10.304 -9.357 3.745 1.00 0.00 O ATOM 1149 CB GLN A 85 -13.633 -9.253 4.458 1.00 0.00 C ATOM 1150 CG GLN A 85 -13.668 -7.756 4.179 1.00 0.00 C ATOM 1151 CD GLN A 85 -13.667 -6.916 5.441 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -14.670 -6.299 5.790 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -12.538 -6.882 6.138 1.00 0.00 N ATOM 0 H GLN A 85 -12.374 -12.099 3.669 1.00 0.00 H new ATOM 0 HA GLN A 85 -12.539 -9.527 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.625 -9.670 4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.400 -9.413 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.806 -7.486 3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -14.558 -7.522 3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.725 -7.407 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.484 -6.330 6.994 1.00 0.00 H new ATOM 1162 N ARG A 86 -11.121 -10.621 5.432 1.00 0.00 N ATOM 1163 CA ARG A 86 -9.864 -10.666 6.189 1.00 0.00 C ATOM 1164 C ARG A 86 -9.379 -9.256 6.565 1.00 0.00 C ATOM 1165 O ARG A 86 -10.095 -8.268 6.380 1.00 0.00 O ATOM 1166 CB ARG A 86 -8.792 -11.412 5.380 1.00 0.00 C ATOM 1167 CG ARG A 86 -8.968 -12.926 5.382 1.00 0.00 C ATOM 1168 CD ARG A 86 -8.164 -13.589 6.490 1.00 0.00 C ATOM 1169 NE ARG A 86 -8.973 -14.540 7.263 1.00 0.00 N ATOM 1170 CZ ARG A 86 -9.138 -15.825 6.948 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -8.592 -16.331 5.865 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -9.870 -16.604 7.719 1.00 0.00 N ATOM 0 H ARG A 86 -11.889 -11.128 5.872 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.047 -11.205 7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.811 -11.054 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.809 -11.169 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.024 -13.169 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.658 -13.329 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.309 -14.108 6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.767 -12.824 7.158 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.442 -14.193 8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.032 -15.739 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.728 -17.316 5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.310 -16.224 8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.996 -17.587 7.478 1.00 0.00 H new ATOM 1186 N LEU A 87 -8.159 -9.173 7.104 1.00 0.00 N ATOM 1187 CA LEU A 87 -7.574 -7.894 7.513 1.00 0.00 C ATOM 1188 C LEU A 87 -6.115 -7.785 7.052 1.00 0.00 C ATOM 1189 O LEU A 87 -5.551 -8.743 6.522 1.00 0.00 O ATOM 1190 CB LEU A 87 -7.664 -7.735 9.034 1.00 0.00 C ATOM 1191 CG LEU A 87 -6.875 -8.765 9.848 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -5.979 -8.072 10.863 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -7.821 -9.730 10.543 1.00 0.00 C ATOM 0 H LEU A 87 -7.556 -9.979 7.267 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.140 -7.092 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.311 -6.739 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.712 -7.791 9.327 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.243 -9.333 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.427 -8.820 11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.277 -7.420 10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.590 -7.478 11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.244 -10.455 11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.478 -9.176 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.421 -10.252 9.797 1.00 0.00 H new ATOM 1205 N SER A 88 -5.512 -6.614 7.255 1.00 0.00 N ATOM 1206 CA SER A 88 -4.120 -6.386 6.851 1.00 0.00 C ATOM 1207 C SER A 88 -3.157 -6.482 8.035 1.00 0.00 C ATOM 1208 O SER A 88 -2.153 -7.190 7.960 1.00 0.00 O ATOM 1209 CB SER A 88 -3.981 -5.021 6.171 1.00 0.00 C ATOM 1210 OG SER A 88 -4.336 -5.096 4.800 1.00 0.00 O ATOM 0 H SER A 88 -5.961 -5.810 7.694 1.00 0.00 H new ATOM 0 HA SER A 88 -3.854 -7.172 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.617 -4.293 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.954 -4.667 6.265 1.00 0.00 H new ATOM 0 HG SER A 88 -4.241 -4.212 4.389 1.00 0.00 H new ATOM 1216 N ARG A 89 -3.460 -5.765 9.115 1.00 0.00 N ATOM 1217 CA ARG A 89 -2.613 -5.768 10.309 1.00 0.00 C ATOM 1218 C ARG A 89 -3.362 -5.193 11.512 1.00 0.00 C ATOM 1219 O ARG A 89 -4.229 -4.313 11.307 1.00 0.00 O ATOM 1220 CB ARG A 89 -1.332 -4.964 10.052 1.00 0.00 C ATOM 1221 CG ARG A 89 -0.269 -5.136 11.129 1.00 0.00 C ATOM 1222 CD ARG A 89 0.569 -6.383 10.898 1.00 0.00 C ATOM 1223 NE ARG A 89 1.999 -6.133 11.110 1.00 0.00 N ATOM 1224 CZ ARG A 89 2.959 -7.008 10.832 1.00 0.00 C ATOM 1225 NH1 ARG A 89 2.659 -8.207 10.382 1.00 0.00 N ATOM 1226 NH2 ARG A 89 4.223 -6.683 11.024 1.00 0.00 N ATOM 0 H ARG A 89 -4.287 -5.173 9.189 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.346 -6.801 10.534 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.913 -5.263 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.588 -3.907 9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.379 -4.260 11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.748 -5.195 12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.236 -7.173 11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.411 -6.742 9.881 1.00 0.00 H new ATOM 0 HE ARG A 89 2.274 -5.229 11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.683 -8.471 10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.402 -8.873 10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.463 -5.760 11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.960 -7.355 10.811 1.00 0.00 H new TER 1240 ARG A 89