USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 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 16 MET CE :methyl -175:sc= -0.211 (180deg=-0.275) USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= -0.745 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.284 (180deg=0.113) USER MOD Single : A 9 CYS SG : rot 31:sc= -1.04 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 22 SER OG : rot 84:sc= 0.0109 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0313) USER MOD Single : A 27 THR OG1 : rot -112:sc= -3.75! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.145 X(o=0.14,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.173 K(o=-0.17,f=0.5) USER MOD Single : A 62 SER OG : rot 58:sc= 0.792 USER MOD Single : A 67 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.022) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0 (180deg=-4.92e-06) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 48:sc= 0.101 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.562 1.720 -6.804 1.00 0.00 N ATOM 2 CA MET A 1 1.213 2.011 -8.076 1.00 0.00 C ATOM 3 C MET A 1 2.694 1.647 -8.025 1.00 0.00 C ATOM 4 O MET A 1 3.427 2.109 -7.152 1.00 0.00 O ATOM 5 CB MET A 1 1.053 3.491 -8.429 1.00 0.00 C ATOM 6 CG MET A 1 -0.265 3.812 -9.115 1.00 0.00 C ATOM 7 SD MET A 1 -1.614 4.061 -7.945 1.00 0.00 S ATOM 8 CE MET A 1 -2.293 5.610 -8.535 1.00 0.00 C ATOM 0 H1 MET A 1 -0.285 2.315 -6.703 1.00 0.00 H new ATOM 0 H2 MET A 1 0.286 0.718 -6.777 1.00 0.00 H new ATOM 0 H3 MET A 1 1.220 1.919 -6.024 1.00 0.00 H new ATOM 0 HA MET A 1 0.734 1.407 -8.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.133 4.084 -7.518 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.875 3.792 -9.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.145 4.709 -9.722 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.524 3.000 -9.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.139 5.898 -7.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.527 6.384 -8.488 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.627 5.492 -9.566 1.00 0.00 H new ATOM 18 N GLY A 2 3.127 0.814 -8.967 1.00 0.00 N ATOM 19 CA GLY A 2 4.518 0.401 -9.010 1.00 0.00 C ATOM 20 C GLY A 2 4.688 -1.009 -9.538 1.00 0.00 C ATOM 21 O GLY A 2 4.517 -1.981 -8.801 1.00 0.00 O ATOM 0 H GLY A 2 2.540 0.418 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.079 1.091 -9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.944 0.464 -8.009 1.00 0.00 H new ATOM 25 N VAL A 3 5.025 -1.123 -10.819 1.00 0.00 N ATOM 26 CA VAL A 3 5.217 -2.426 -11.445 1.00 0.00 C ATOM 27 C VAL A 3 6.446 -3.130 -10.882 1.00 0.00 C ATOM 28 O VAL A 3 7.403 -2.484 -10.452 1.00 0.00 O ATOM 29 CB VAL A 3 5.368 -2.297 -12.973 1.00 0.00 C ATOM 30 CG1 VAL A 3 6.661 -1.576 -13.323 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.317 -3.668 -13.630 1.00 0.00 C ATOM 0 H VAL A 3 5.171 -0.329 -11.443 1.00 0.00 H new ATOM 0 HA VAL A 3 4.329 -3.018 -11.223 1.00 0.00 H new ATOM 0 HB VAL A 3 4.536 -1.705 -13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.750 -1.494 -14.406 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.652 -0.579 -12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.509 -2.138 -12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.425 -3.559 -14.709 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.128 -4.286 -13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.361 -4.143 -13.407 1.00 0.00 H new ATOM 41 N LEU A 4 6.414 -4.458 -10.887 1.00 0.00 N ATOM 42 CA LEU A 4 7.527 -5.252 -10.377 1.00 0.00 C ATOM 43 C LEU A 4 8.841 -4.828 -11.024 1.00 0.00 C ATOM 44 O LEU A 4 8.953 -4.775 -12.249 1.00 0.00 O ATOM 45 CB LEU A 4 7.276 -6.740 -10.631 1.00 0.00 C ATOM 46 CG LEU A 4 6.259 -7.416 -9.713 1.00 0.00 C ATOM 47 CD1 LEU A 4 4.843 -7.171 -10.212 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.540 -8.908 -9.612 1.00 0.00 C ATOM 0 H LEU A 4 5.630 -5.008 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 4 7.601 -5.080 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.942 -6.861 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.225 -7.269 -10.540 1.00 0.00 H new ATOM 0 HG LEU A 4 6.352 -6.981 -8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.133 -7.660 -9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.644 -6.099 -10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.736 -7.578 -11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.806 -9.373 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.476 -9.358 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.540 -9.063 -9.207 1.00 0.00 H new ATOM 60 N ARG A 5 9.834 -4.527 -10.193 1.00 0.00 N ATOM 61 CA ARG A 5 11.141 -4.109 -10.685 1.00 0.00 C ATOM 62 C ARG A 5 12.231 -5.068 -10.216 1.00 0.00 C ATOM 63 O ARG A 5 12.098 -5.716 -9.178 1.00 0.00 O ATOM 64 CB ARG A 5 11.458 -2.689 -10.210 1.00 0.00 C ATOM 65 CG ARG A 5 11.229 -2.480 -8.722 1.00 0.00 C ATOM 66 CD ARG A 5 12.261 -1.535 -8.127 1.00 0.00 C ATOM 67 NE ARG A 5 12.367 -0.292 -8.887 1.00 0.00 N ATOM 68 CZ ARG A 5 11.446 0.665 -8.862 1.00 0.00 C ATOM 69 NH1 ARG A 5 10.357 0.523 -8.119 1.00 0.00 N ATOM 70 NH2 ARG A 5 11.614 1.768 -9.580 1.00 0.00 N ATOM 0 H ARG A 5 9.758 -4.565 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 5 11.113 -4.123 -11.775 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.497 -2.460 -10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.842 -1.983 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.229 -2.077 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.274 -3.440 -8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.992 -1.307 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.233 -2.029 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 5 13.193 -0.151 -9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.225 -0.323 -7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.652 1.260 -8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.451 1.882 -10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.906 2.502 -9.560 1.00 0.00 H new ATOM 84 N VAL A 6 13.309 -5.155 -10.989 1.00 0.00 N ATOM 85 CA VAL A 6 14.422 -6.035 -10.654 1.00 0.00 C ATOM 86 C VAL A 6 15.053 -5.639 -9.324 1.00 0.00 C ATOM 87 O VAL A 6 15.260 -4.457 -9.050 1.00 0.00 O ATOM 88 CB VAL A 6 15.504 -6.013 -11.749 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.037 -4.602 -11.947 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.632 -6.974 -11.403 1.00 0.00 C ATOM 0 H VAL A 6 13.435 -4.626 -11.852 1.00 0.00 H new ATOM 0 HA VAL A 6 14.016 -7.044 -10.575 1.00 0.00 H new ATOM 0 HB VAL A 6 15.053 -6.340 -12.686 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.801 -4.607 -12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.221 -3.943 -12.244 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.472 -4.243 -11.014 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.388 -6.946 -12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.082 -6.680 -10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.235 -7.986 -11.318 1.00 0.00 H new ATOM 100 N GLY A 7 15.359 -6.636 -8.499 1.00 0.00 N ATOM 101 CA GLY A 7 15.964 -6.372 -7.207 1.00 0.00 C ATOM 102 C GLY A 7 14.933 -6.114 -6.126 1.00 0.00 C ATOM 103 O GLY A 7 15.244 -5.526 -5.089 1.00 0.00 O ATOM 0 H GLY A 7 15.198 -7.622 -8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.583 -7.221 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.625 -5.509 -7.288 1.00 0.00 H new ATOM 107 N LEU A 8 13.703 -6.552 -6.367 1.00 0.00 N ATOM 108 CA LEU A 8 12.621 -6.364 -5.407 1.00 0.00 C ATOM 109 C LEU A 8 12.701 -7.398 -4.288 1.00 0.00 C ATOM 110 O LEU A 8 12.314 -7.127 -3.150 1.00 0.00 O ATOM 111 CB LEU A 8 11.266 -6.459 -6.109 1.00 0.00 C ATOM 112 CG LEU A 8 10.933 -7.809 -6.745 1.00 0.00 C ATOM 113 CD1 LEU A 8 10.125 -8.667 -5.784 1.00 0.00 C ATOM 114 CD2 LEU A 8 10.177 -7.611 -8.051 1.00 0.00 C ATOM 0 H LEU A 8 13.429 -7.040 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 8 12.726 -5.372 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.487 -6.219 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.227 -5.695 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 8 11.867 -8.326 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.897 -9.624 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.702 -8.837 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.196 -8.156 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.948 -8.582 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.249 -7.073 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.791 -7.036 -8.743 1.00 0.00 H new ATOM 126 N CYS A 9 13.205 -8.581 -4.618 1.00 0.00 N ATOM 127 CA CYS A 9 13.337 -9.656 -3.641 1.00 0.00 C ATOM 128 C CYS A 9 14.481 -10.594 -4.014 1.00 0.00 C ATOM 129 O CYS A 9 14.931 -10.637 -5.159 1.00 0.00 O ATOM 130 CB CYS A 9 12.030 -10.443 -3.538 1.00 0.00 C ATOM 131 SG CYS A 9 10.865 -9.783 -2.322 1.00 0.00 S ATOM 0 H CYS A 9 13.529 -8.821 -5.555 1.00 0.00 H new ATOM 0 HA CYS A 9 13.560 -9.207 -2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.549 -10.457 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.260 -11.477 -3.281 1.00 0.00 H new ATOM 0 HG CYS A 9 11.014 -8.495 -2.233 1.00 0.00 H new ATOM 137 N PRO A 10 14.964 -11.361 -3.026 1.00 0.00 N ATOM 138 CA PRO A 10 16.062 -12.312 -3.227 1.00 0.00 C ATOM 139 C PRO A 10 15.648 -13.503 -4.083 1.00 0.00 C ATOM 140 O PRO A 10 15.275 -14.554 -3.563 1.00 0.00 O ATOM 141 CB PRO A 10 16.401 -12.766 -1.805 1.00 0.00 C ATOM 142 CG PRO A 10 15.143 -12.564 -1.032 1.00 0.00 C ATOM 143 CD PRO A 10 14.474 -11.361 -1.637 1.00 0.00 C ATOM 0 HA PRO A 10 16.901 -11.861 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.713 -13.810 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.220 -12.181 -1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 10 14.500 -13.442 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.356 -12.402 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.388 -11.441 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.747 -10.444 -1.115 1.00 0.00 H new ATOM 151 N GLY A 11 15.717 -13.333 -5.400 1.00 0.00 N ATOM 152 CA GLY A 11 15.346 -14.403 -6.307 1.00 0.00 C ATOM 153 C GLY A 11 14.890 -13.887 -7.657 1.00 0.00 C ATOM 154 O GLY A 11 15.331 -14.377 -8.698 1.00 0.00 O ATOM 0 H GLY A 11 16.023 -12.473 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.197 -15.070 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.547 -14.994 -5.859 1.00 0.00 H new ATOM 158 N LEU A 12 14.004 -12.898 -7.642 1.00 0.00 N ATOM 159 CA LEU A 12 13.486 -12.316 -8.875 1.00 0.00 C ATOM 160 C LEU A 12 14.590 -11.595 -9.643 1.00 0.00 C ATOM 161 O LEU A 12 15.353 -10.816 -9.071 1.00 0.00 O ATOM 162 CB LEU A 12 12.347 -11.343 -8.565 1.00 0.00 C ATOM 163 CG LEU A 12 10.941 -11.942 -8.539 1.00 0.00 C ATOM 164 CD1 LEU A 12 10.528 -12.395 -9.931 1.00 0.00 C ATOM 165 CD2 LEU A 12 10.874 -13.103 -7.557 1.00 0.00 C ATOM 0 H LEU A 12 13.629 -12.482 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 12 13.105 -13.126 -9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.542 -10.883 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.366 -10.544 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 12 10.245 -11.171 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.524 -12.819 -9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.536 -11.541 -10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.227 -13.150 -10.290 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.866 -13.517 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.582 -13.875 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.126 -12.749 -6.557 1.00 0.00 H new ATOM 177 N THR A 13 14.669 -11.860 -10.944 1.00 0.00 N ATOM 178 CA THR A 13 15.679 -11.237 -11.790 1.00 0.00 C ATOM 179 C THR A 13 15.040 -10.298 -12.808 1.00 0.00 C ATOM 180 O THR A 13 13.838 -10.370 -13.062 1.00 0.00 O ATOM 181 CB THR A 13 16.515 -12.292 -12.537 1.00 0.00 C ATOM 182 OG1 THR A 13 17.466 -11.649 -13.393 1.00 0.00 O ATOM 183 CG2 THR A 13 15.621 -13.207 -13.361 1.00 0.00 C ATOM 0 H THR A 13 14.046 -12.502 -11.434 1.00 0.00 H new ATOM 0 HA THR A 13 16.333 -10.665 -11.132 1.00 0.00 H new ATOM 0 HB THR A 13 17.042 -12.895 -11.798 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.994 -12.328 -13.863 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.234 -13.944 -13.880 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.918 -13.718 -12.703 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.069 -12.615 -14.091 1.00 0.00 H new ATOM 191 N GLU A 14 15.852 -9.420 -13.387 1.00 0.00 N ATOM 192 CA GLU A 14 15.364 -8.467 -14.378 1.00 0.00 C ATOM 193 C GLU A 14 14.734 -9.191 -15.565 1.00 0.00 C ATOM 194 O GLU A 14 13.851 -8.656 -16.233 1.00 0.00 O ATOM 195 CB GLU A 14 16.505 -7.569 -14.860 1.00 0.00 C ATOM 196 CG GLU A 14 16.131 -6.692 -16.043 1.00 0.00 C ATOM 197 CD GLU A 14 17.283 -5.827 -16.515 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.216 -6.370 -17.142 1.00 0.00 O ATOM 199 OE2 GLU A 14 17.251 -4.605 -16.257 1.00 0.00 O ATOM 0 H GLU A 14 16.850 -9.348 -13.188 1.00 0.00 H new ATOM 0 HA GLU A 14 14.601 -7.849 -13.905 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.829 -6.934 -14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.355 -8.193 -15.135 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.794 -7.323 -16.866 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.292 -6.054 -15.766 1.00 0.00 H new ATOM 206 N GLU A 15 15.198 -10.410 -15.820 1.00 0.00 N ATOM 207 CA GLU A 15 14.682 -11.207 -16.927 1.00 0.00 C ATOM 208 C GLU A 15 13.192 -11.485 -16.749 1.00 0.00 C ATOM 209 O GLU A 15 12.408 -11.346 -17.688 1.00 0.00 O ATOM 210 CB GLU A 15 15.449 -12.527 -17.036 1.00 0.00 C ATOM 211 CG GLU A 15 16.596 -12.484 -18.032 1.00 0.00 C ATOM 212 CD GLU A 15 17.601 -13.597 -17.812 1.00 0.00 C ATOM 213 OE1 GLU A 15 17.233 -14.613 -17.186 1.00 0.00 O ATOM 214 OE2 GLU A 15 18.756 -13.452 -18.264 1.00 0.00 O ATOM 0 H GLU A 15 15.930 -10.867 -15.276 1.00 0.00 H new ATOM 0 HA GLU A 15 14.821 -10.638 -17.846 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.841 -12.792 -16.054 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.756 -13.317 -17.326 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.197 -12.555 -19.044 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.103 -11.522 -17.956 1.00 0.00 H new ATOM 221 N MET A 16 12.810 -11.878 -15.539 1.00 0.00 N ATOM 222 CA MET A 16 11.414 -12.175 -15.237 1.00 0.00 C ATOM 223 C MET A 16 10.551 -10.926 -15.375 1.00 0.00 C ATOM 224 O MET A 16 9.375 -11.009 -15.731 1.00 0.00 O ATOM 225 CB MET A 16 11.286 -12.745 -13.823 1.00 0.00 C ATOM 226 CG MET A 16 11.232 -14.263 -13.782 1.00 0.00 C ATOM 227 SD MET A 16 12.790 -15.027 -14.275 1.00 0.00 S ATOM 228 CE MET A 16 13.247 -15.870 -12.762 1.00 0.00 C ATOM 0 H MET A 16 13.447 -11.998 -14.751 1.00 0.00 H new ATOM 0 HA MET A 16 11.063 -12.918 -15.953 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.131 -12.403 -13.225 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.384 -12.345 -13.359 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.976 -14.587 -12.773 1.00 0.00 H new ATOM 0 HG3 MET A 16 10.436 -14.612 -14.440 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.234 -16.317 -12.879 1.00 0.00 H new ATOM 0 HE2 MET A 16 13.267 -15.155 -11.939 1.00 0.00 H new ATOM 0 HE3 MET A 16 12.518 -16.651 -12.546 1.00 0.00 H new ATOM 238 N ILE A 17 11.141 -9.770 -15.092 1.00 0.00 N ATOM 239 CA ILE A 17 10.425 -8.504 -15.186 1.00 0.00 C ATOM 240 C ILE A 17 9.948 -8.246 -16.611 1.00 0.00 C ATOM 241 O ILE A 17 8.801 -7.856 -16.830 1.00 0.00 O ATOM 242 CB ILE A 17 11.304 -7.324 -14.730 1.00 0.00 C ATOM 243 CG1 ILE A 17 11.946 -7.632 -13.375 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.480 -6.048 -14.654 1.00 0.00 C ATOM 245 CD1 ILE A 17 10.944 -7.987 -12.299 1.00 0.00 C ATOM 0 H ILE A 17 12.113 -9.684 -14.796 1.00 0.00 H new ATOM 0 HA ILE A 17 9.562 -8.581 -14.525 1.00 0.00 H new ATOM 0 HB ILE A 17 12.098 -7.177 -15.462 1.00 0.00 H new ATOM 0 HG12 ILE A 17 12.648 -8.458 -13.494 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.524 -6.767 -13.051 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.115 -5.223 -14.330 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.066 -5.823 -15.637 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.667 -6.182 -13.940 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.469 -8.193 -11.366 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.257 -7.154 -12.152 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.383 -8.871 -12.602 1.00 0.00 H new ATOM 257 N GLN A 18 10.834 -8.469 -17.575 1.00 0.00 N ATOM 258 CA GLN A 18 10.503 -8.262 -18.980 1.00 0.00 C ATOM 259 C GLN A 18 9.401 -9.217 -19.426 1.00 0.00 C ATOM 260 O GLN A 18 8.520 -8.847 -20.203 1.00 0.00 O ATOM 261 CB GLN A 18 11.744 -8.454 -19.853 1.00 0.00 C ATOM 262 CG GLN A 18 11.650 -7.766 -21.205 1.00 0.00 C ATOM 263 CD GLN A 18 12.876 -7.999 -22.065 1.00 0.00 C ATOM 264 OE1 GLN A 18 13.999 -8.057 -21.563 1.00 0.00 O ATOM 265 NE2 GLN A 18 12.668 -8.133 -23.370 1.00 0.00 N ATOM 0 H GLN A 18 11.787 -8.793 -17.409 1.00 0.00 H new ATOM 0 HA GLN A 18 10.142 -7.240 -19.095 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.615 -8.072 -19.320 1.00 0.00 H new ATOM 0 HB3 GLN A 18 11.907 -9.520 -20.008 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.767 -8.128 -21.732 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.515 -6.695 -21.055 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.721 -8.078 -23.744 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.456 -8.291 -23.998 1.00 0.00 H new ATOM 274 N LEU A 19 9.455 -10.448 -18.929 1.00 0.00 N ATOM 275 CA LEU A 19 8.462 -11.458 -19.277 1.00 0.00 C ATOM 276 C LEU A 19 7.066 -11.021 -18.842 1.00 0.00 C ATOM 277 O LEU A 19 6.100 -11.157 -19.593 1.00 0.00 O ATOM 278 CB LEU A 19 8.816 -12.796 -18.624 1.00 0.00 C ATOM 279 CG LEU A 19 10.001 -13.546 -19.232 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.539 -14.577 -18.253 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.598 -14.210 -20.541 1.00 0.00 C ATOM 0 H LEU A 19 10.176 -10.771 -18.284 1.00 0.00 H new ATOM 0 HA LEU A 19 8.465 -11.577 -20.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.026 -12.618 -17.569 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.940 -13.443 -18.670 1.00 0.00 H new ATOM 0 HG LEU A 19 10.792 -12.826 -19.442 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.382 -15.101 -18.703 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.867 -14.077 -17.342 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.754 -15.293 -18.011 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.454 -14.739 -20.959 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.789 -14.917 -20.356 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.261 -13.450 -21.246 1.00 0.00 H new ATOM 293 N LEU A 20 6.969 -10.495 -17.627 1.00 0.00 N ATOM 294 CA LEU A 20 5.692 -10.034 -17.092 1.00 0.00 C ATOM 295 C LEU A 20 5.204 -8.796 -17.837 1.00 0.00 C ATOM 296 O LEU A 20 4.027 -8.689 -18.180 1.00 0.00 O ATOM 297 CB LEU A 20 5.822 -9.727 -15.599 1.00 0.00 C ATOM 298 CG LEU A 20 6.278 -10.887 -14.713 1.00 0.00 C ATOM 299 CD1 LEU A 20 6.920 -10.363 -13.438 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.106 -11.801 -14.386 1.00 0.00 C ATOM 0 H LEU A 20 7.759 -10.377 -16.993 1.00 0.00 H new ATOM 0 HA LEU A 20 4.960 -10.830 -17.230 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.527 -8.904 -15.478 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.856 -9.376 -15.235 1.00 0.00 H new ATOM 0 HG LEU A 20 7.023 -11.466 -15.259 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.238 -11.202 -12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.785 -9.750 -13.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.197 -9.761 -12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.449 -12.621 -13.755 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.338 -11.234 -13.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.690 -12.204 -15.309 1.00 0.00 H new ATOM 312 N ARG A 21 6.118 -7.864 -18.087 1.00 0.00 N ATOM 313 CA ARG A 21 5.782 -6.633 -18.792 1.00 0.00 C ATOM 314 C ARG A 21 5.346 -6.930 -20.225 1.00 0.00 C ATOM 315 O ARG A 21 4.561 -6.186 -20.812 1.00 0.00 O ATOM 316 CB ARG A 21 6.978 -5.680 -18.798 1.00 0.00 C ATOM 317 CG ARG A 21 7.235 -5.016 -17.455 1.00 0.00 C ATOM 318 CD ARG A 21 7.347 -3.506 -17.593 1.00 0.00 C ATOM 319 NE ARG A 21 8.435 -2.962 -16.785 1.00 0.00 N ATOM 320 CZ ARG A 21 9.715 -3.036 -17.132 1.00 0.00 C ATOM 321 NH1 ARG A 21 10.065 -3.628 -18.265 1.00 0.00 N ATOM 322 NH2 ARG A 21 10.648 -2.517 -16.344 1.00 0.00 N ATOM 0 H ARG A 21 7.097 -7.938 -17.812 1.00 0.00 H new ATOM 0 HA ARG A 21 4.952 -6.158 -18.268 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.869 -6.231 -19.098 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.813 -4.908 -19.550 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.426 -5.261 -16.766 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.153 -5.412 -17.022 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.509 -3.249 -18.640 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.407 -3.044 -17.293 1.00 0.00 H new ATOM 0 HE ARG A 21 8.199 -2.500 -15.907 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.351 -4.028 -18.873 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.049 -3.683 -18.529 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.382 -2.061 -15.471 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.631 -2.574 -16.611 1.00 0.00 H new ATOM 336 N SER A 22 5.863 -8.021 -20.781 1.00 0.00 N ATOM 337 CA SER A 22 5.531 -8.413 -22.146 1.00 0.00 C ATOM 338 C SER A 22 4.106 -8.950 -22.225 1.00 0.00 C ATOM 339 O SER A 22 3.439 -8.826 -23.254 1.00 0.00 O ATOM 340 CB SER A 22 6.516 -9.471 -22.648 1.00 0.00 C ATOM 341 OG SER A 22 7.657 -8.868 -23.234 1.00 0.00 O ATOM 0 H SER A 22 6.513 -8.649 -20.308 1.00 0.00 H new ATOM 0 HA SER A 22 5.603 -7.529 -22.780 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.823 -10.109 -21.819 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.024 -10.113 -23.379 1.00 0.00 H new ATOM 0 HG SER A 22 8.301 -8.637 -22.533 1.00 0.00 H new ATOM 347 N HIS A 23 3.643 -9.549 -21.132 1.00 0.00 N ATOM 348 CA HIS A 23 2.296 -10.105 -21.076 1.00 0.00 C ATOM 349 C HIS A 23 1.319 -9.102 -20.471 1.00 0.00 C ATOM 350 O HIS A 23 0.252 -9.477 -19.984 1.00 0.00 O ATOM 351 CB HIS A 23 2.289 -11.398 -20.260 1.00 0.00 C ATOM 352 CG HIS A 23 2.667 -12.610 -21.055 1.00 0.00 C ATOM 353 ND1 HIS A 23 2.204 -13.876 -20.763 1.00 0.00 N ATOM 354 CD2 HIS A 23 3.467 -12.744 -22.138 1.00 0.00 C ATOM 355 CE1 HIS A 23 2.705 -14.736 -21.631 1.00 0.00 C ATOM 356 NE2 HIS A 23 3.475 -14.075 -22.476 1.00 0.00 N ATOM 0 H HIS A 23 4.181 -9.662 -20.273 1.00 0.00 H new ATOM 0 HA HIS A 23 1.978 -10.326 -22.095 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.979 -11.293 -19.423 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.295 -11.546 -19.838 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.000 -11.952 -22.643 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.517 -15.799 -21.647 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.992 -14.486 -23.253 1.00 0.00 H new ATOM 364 N ARG A 24 1.690 -7.826 -20.506 1.00 0.00 N ATOM 365 CA ARG A 24 0.847 -6.770 -19.959 1.00 0.00 C ATOM 366 C ARG A 24 0.498 -7.053 -18.501 1.00 0.00 C ATOM 367 O ARG A 24 -0.534 -6.604 -18.001 1.00 0.00 O ATOM 368 CB ARG A 24 -0.434 -6.632 -20.784 1.00 0.00 C ATOM 369 CG ARG A 24 -0.185 -6.263 -22.237 1.00 0.00 C ATOM 370 CD ARG A 24 -0.027 -4.761 -22.411 1.00 0.00 C ATOM 371 NE ARG A 24 -0.095 -4.362 -23.815 1.00 0.00 N ATOM 372 CZ ARG A 24 0.317 -3.182 -24.264 1.00 0.00 C ATOM 373 NH1 ARG A 24 0.824 -2.290 -23.425 1.00 0.00 N ATOM 374 NH2 ARG A 24 0.222 -2.893 -25.556 1.00 0.00 N ATOM 0 H ARG A 24 2.569 -7.499 -20.907 1.00 0.00 H new ATOM 0 HA ARG A 24 1.404 -5.834 -20.006 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.984 -7.572 -20.746 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.069 -5.872 -20.329 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.713 -6.768 -22.593 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.014 -6.616 -22.850 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.808 -4.247 -21.850 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.928 -4.446 -21.990 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.480 -5.026 -24.487 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.899 -2.509 -22.432 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.140 -1.385 -23.773 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.168 -3.577 -26.204 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.539 -1.987 -25.900 1.00 0.00 H new ATOM 388 N ILE A 25 1.364 -7.801 -17.825 1.00 0.00 N ATOM 389 CA ILE A 25 1.147 -8.143 -16.425 1.00 0.00 C ATOM 390 C ILE A 25 1.109 -6.893 -15.552 1.00 0.00 C ATOM 391 O ILE A 25 1.799 -5.911 -15.825 1.00 0.00 O ATOM 392 CB ILE A 25 2.244 -9.088 -15.900 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.231 -10.403 -16.682 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.052 -9.348 -14.413 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.009 -11.254 -16.414 1.00 0.00 C ATOM 0 H ILE A 25 2.222 -8.181 -18.224 1.00 0.00 H new ATOM 0 HA ILE A 25 0.184 -8.651 -16.370 1.00 0.00 H new ATOM 0 HB ILE A 25 3.214 -8.611 -16.043 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.284 -10.183 -17.748 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.124 -10.975 -16.430 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.835 -10.017 -14.057 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.105 -8.405 -13.869 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.078 -9.808 -14.247 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.067 -12.170 -17.002 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.966 -11.505 -15.354 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.112 -10.701 -16.693 1.00 0.00 H new ATOM 407 N LYS A 26 0.298 -6.937 -14.500 1.00 0.00 N ATOM 408 CA LYS A 26 0.171 -5.809 -13.584 1.00 0.00 C ATOM 409 C LYS A 26 1.212 -5.892 -12.472 1.00 0.00 C ATOM 410 O LYS A 26 2.101 -6.744 -12.501 1.00 0.00 O ATOM 411 CB LYS A 26 -1.234 -5.773 -12.980 1.00 0.00 C ATOM 412 CG LYS A 26 -1.992 -4.492 -13.281 1.00 0.00 C ATOM 413 CD LYS A 26 -2.670 -4.551 -14.640 1.00 0.00 C ATOM 414 CE LYS A 26 -4.118 -5.003 -14.521 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.276 -6.448 -14.845 1.00 0.00 N ATOM 0 H LYS A 26 -0.281 -7.742 -14.261 1.00 0.00 H new ATOM 0 HA LYS A 26 0.341 -4.892 -14.149 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.805 -6.621 -13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.159 -5.896 -11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.740 -4.321 -12.507 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.305 -3.646 -13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.632 -3.568 -15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.126 -5.236 -15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.475 -4.817 -13.508 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.740 -4.410 -15.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.287 -6.694 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.866 -6.641 -15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.785 -7.020 -14.128 1.00 0.00 H new ATOM 429 N THR A 27 1.096 -5.002 -11.492 1.00 0.00 N ATOM 430 CA THR A 27 2.026 -4.974 -10.370 1.00 0.00 C ATOM 431 C THR A 27 1.805 -6.164 -9.443 1.00 0.00 C ATOM 432 O THR A 27 0.971 -7.028 -9.713 1.00 0.00 O ATOM 433 CB THR A 27 1.889 -3.672 -9.558 1.00 0.00 C ATOM 434 OG1 THR A 27 0.756 -3.756 -8.687 1.00 0.00 O ATOM 435 CG2 THR A 27 1.738 -2.472 -10.481 1.00 0.00 C ATOM 0 H THR A 27 0.366 -4.290 -11.453 1.00 0.00 H new ATOM 0 HA THR A 27 3.030 -5.026 -10.791 1.00 0.00 H new ATOM 0 HB THR A 27 2.794 -3.542 -8.965 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.068 -3.125 -8.984 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.643 -1.564 -9.885 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.615 -2.394 -11.123 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.847 -2.597 -11.097 1.00 0.00 H new ATOM 443 N VAL A 28 2.558 -6.202 -8.348 1.00 0.00 N ATOM 444 CA VAL A 28 2.442 -7.286 -7.379 1.00 0.00 C ATOM 445 C VAL A 28 0.983 -7.565 -7.038 1.00 0.00 C ATOM 446 O VAL A 28 0.617 -8.691 -6.701 1.00 0.00 O ATOM 447 CB VAL A 28 3.209 -6.963 -6.082 1.00 0.00 C ATOM 448 CG1 VAL A 28 2.537 -5.820 -5.335 1.00 0.00 C ATOM 449 CG2 VAL A 28 3.310 -8.199 -5.202 1.00 0.00 C ATOM 0 H VAL A 28 3.254 -5.496 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 28 2.879 -8.171 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 28 4.219 -6.649 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.092 -5.606 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.521 -4.932 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.515 -6.102 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.855 -7.953 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.309 -8.545 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.839 -8.986 -5.739 1.00 0.00 H new ATOM 459 N VAL A 29 0.152 -6.531 -7.127 1.00 0.00 N ATOM 460 CA VAL A 29 -1.269 -6.665 -6.830 1.00 0.00 C ATOM 461 C VAL A 29 -1.907 -7.763 -7.674 1.00 0.00 C ATOM 462 O VAL A 29 -2.698 -8.564 -7.176 1.00 0.00 O ATOM 463 CB VAL A 29 -2.021 -5.343 -7.074 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.523 -4.263 -6.126 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.869 -4.904 -8.522 1.00 0.00 C ATOM 0 H VAL A 29 0.439 -5.592 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.347 -6.930 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.081 -5.506 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.066 -3.336 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.688 -4.579 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.458 -4.099 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.406 -3.968 -8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.813 -4.758 -8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.279 -5.671 -9.180 1.00 0.00 H new ATOM 475 N ASP A 30 -1.557 -7.794 -8.955 1.00 0.00 N ATOM 476 CA ASP A 30 -2.093 -8.795 -9.870 1.00 0.00 C ATOM 477 C ASP A 30 -1.484 -10.166 -9.595 1.00 0.00 C ATOM 478 O ASP A 30 -2.146 -11.193 -9.747 1.00 0.00 O ATOM 479 CB ASP A 30 -1.827 -8.386 -11.320 1.00 0.00 C ATOM 480 CG ASP A 30 -2.086 -9.516 -12.297 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.224 -10.032 -12.320 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.152 -9.885 -13.039 1.00 0.00 O ATOM 0 H ASP A 30 -0.904 -7.137 -9.383 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.169 -8.858 -9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.459 -7.536 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.793 -8.055 -11.417 1.00 0.00 H new ATOM 487 N LEU A 31 -0.219 -10.174 -9.190 1.00 0.00 N ATOM 488 CA LEU A 31 0.482 -11.419 -8.894 1.00 0.00 C ATOM 489 C LEU A 31 -0.305 -12.262 -7.896 1.00 0.00 C ATOM 490 O LEU A 31 -0.319 -13.491 -7.979 1.00 0.00 O ATOM 491 CB LEU A 31 1.877 -11.123 -8.341 1.00 0.00 C ATOM 492 CG LEU A 31 3.051 -11.493 -9.248 1.00 0.00 C ATOM 493 CD1 LEU A 31 3.007 -12.972 -9.601 1.00 0.00 C ATOM 494 CD2 LEU A 31 3.040 -10.642 -10.509 1.00 0.00 C ATOM 0 H LEU A 31 0.343 -9.333 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 31 0.578 -11.983 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.939 -10.058 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.992 -11.655 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 31 3.978 -11.296 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.850 -13.217 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.064 -13.566 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.075 -13.194 -10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.883 -10.919 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.109 -10.807 -11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.121 -9.589 -10.238 1.00 0.00 H new ATOM 506 N VAL A 32 -0.962 -11.594 -6.953 1.00 0.00 N ATOM 507 CA VAL A 32 -1.755 -12.282 -5.940 1.00 0.00 C ATOM 508 C VAL A 32 -2.771 -13.220 -6.581 1.00 0.00 C ATOM 509 O VAL A 32 -3.184 -14.211 -5.978 1.00 0.00 O ATOM 510 CB VAL A 32 -2.496 -11.282 -5.033 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.757 -10.775 -5.716 1.00 0.00 C ATOM 512 CG2 VAL A 32 -2.826 -11.922 -3.693 1.00 0.00 C ATOM 0 H VAL A 32 -0.961 -10.577 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.060 -12.864 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.842 -10.429 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.267 -10.070 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.491 -10.277 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.418 -11.615 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.349 -11.201 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.461 -12.793 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.904 -12.231 -3.200 1.00 0.00 H new ATOM 522 N SER A 33 -3.171 -12.901 -7.808 1.00 0.00 N ATOM 523 CA SER A 33 -4.142 -13.714 -8.531 1.00 0.00 C ATOM 524 C SER A 33 -3.453 -14.575 -9.585 1.00 0.00 C ATOM 525 O SER A 33 -3.959 -15.630 -9.968 1.00 0.00 O ATOM 526 CB SER A 33 -5.193 -12.821 -9.194 1.00 0.00 C ATOM 527 OG SER A 33 -6.391 -13.538 -9.436 1.00 0.00 O ATOM 0 H SER A 33 -2.838 -12.085 -8.322 1.00 0.00 H new ATOM 0 HA SER A 33 -4.633 -14.372 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.402 -11.963 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.803 -12.431 -10.134 1.00 0.00 H new ATOM 0 HG SER A 33 -7.047 -12.945 -9.859 1.00 0.00 H new ATOM 533 N ALA A 34 -2.295 -14.118 -10.049 1.00 0.00 N ATOM 534 CA ALA A 34 -1.534 -14.846 -11.057 1.00 0.00 C ATOM 535 C ALA A 34 -1.286 -16.286 -10.622 1.00 0.00 C ATOM 536 O ALA A 34 -1.592 -16.665 -9.491 1.00 0.00 O ATOM 537 CB ALA A 34 -0.214 -14.141 -11.334 1.00 0.00 C ATOM 0 H ALA A 34 -1.863 -13.246 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.121 -14.867 -11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.344 -14.696 -12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.410 -13.132 -11.696 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.371 -14.090 -10.416 1.00 0.00 H new ATOM 543 N ASP A 35 -0.730 -17.085 -11.527 1.00 0.00 N ATOM 544 CA ASP A 35 -0.440 -18.484 -11.236 1.00 0.00 C ATOM 545 C ASP A 35 1.038 -18.676 -10.907 1.00 0.00 C ATOM 546 O ASP A 35 1.755 -19.386 -11.614 1.00 0.00 O ATOM 547 CB ASP A 35 -0.829 -19.365 -12.424 1.00 0.00 C ATOM 548 CG ASP A 35 -2.301 -19.252 -12.771 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.130 -19.243 -11.838 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.622 -19.174 -13.975 1.00 0.00 O ATOM 0 H ASP A 35 -0.471 -16.787 -12.468 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.028 -18.778 -10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.232 -19.085 -13.292 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.591 -20.404 -12.195 1.00 0.00 H new ATOM 555 N LEU A 36 1.487 -18.038 -9.832 1.00 0.00 N ATOM 556 CA LEU A 36 2.879 -18.137 -9.410 1.00 0.00 C ATOM 557 C LEU A 36 3.282 -19.593 -9.197 1.00 0.00 C ATOM 558 O LEU A 36 4.413 -19.982 -9.485 1.00 0.00 O ATOM 559 CB LEU A 36 3.100 -17.342 -8.122 1.00 0.00 C ATOM 560 CG LEU A 36 4.504 -16.772 -7.917 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.525 -17.894 -7.809 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.867 -15.826 -9.053 1.00 0.00 C ATOM 0 H LEU A 36 0.907 -17.447 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 36 3.502 -17.718 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.388 -16.517 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.864 -17.987 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 36 4.514 -16.208 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.518 -17.469 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.276 -18.533 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.514 -18.485 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.869 -15.430 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.839 -16.366 -9.999 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.152 -15.003 -9.084 1.00 0.00 H new ATOM 574 N GLU A 37 2.346 -20.393 -8.693 1.00 0.00 N ATOM 575 CA GLU A 37 2.604 -21.806 -8.444 1.00 0.00 C ATOM 576 C GLU A 37 2.997 -22.523 -9.732 1.00 0.00 C ATOM 577 O GLU A 37 3.930 -23.326 -9.747 1.00 0.00 O ATOM 578 CB GLU A 37 1.370 -22.472 -7.833 1.00 0.00 C ATOM 579 CG GLU A 37 0.110 -22.300 -8.665 1.00 0.00 C ATOM 580 CD GLU A 37 -1.156 -22.507 -7.857 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.276 -23.563 -7.201 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.027 -21.612 -7.881 1.00 0.00 O ATOM 0 H GLU A 37 1.404 -20.086 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 37 3.434 -21.879 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.568 -23.536 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.198 -22.058 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.100 -21.300 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.127 -23.008 -9.494 1.00 0.00 H new ATOM 589 N GLU A 38 2.279 -22.226 -10.811 1.00 0.00 N ATOM 590 CA GLU A 38 2.552 -22.844 -12.103 1.00 0.00 C ATOM 591 C GLU A 38 3.805 -22.247 -12.737 1.00 0.00 C ATOM 592 O GLU A 38 4.686 -22.972 -13.200 1.00 0.00 O ATOM 593 CB GLU A 38 1.357 -22.663 -13.042 1.00 0.00 C ATOM 594 CG GLU A 38 0.117 -23.425 -12.602 1.00 0.00 C ATOM 595 CD GLU A 38 0.238 -24.919 -12.833 1.00 0.00 C ATOM 596 OE1 GLU A 38 1.330 -25.370 -13.236 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.759 -25.636 -12.610 1.00 0.00 O ATOM 0 H GLU A 38 1.505 -21.562 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 38 2.720 -23.909 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.116 -21.602 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.639 -22.991 -14.043 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.063 -23.238 -11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.749 -23.046 -13.144 1.00 0.00 H new ATOM 604 N VAL A 39 3.878 -20.920 -12.755 1.00 0.00 N ATOM 605 CA VAL A 39 5.022 -20.224 -13.331 1.00 0.00 C ATOM 606 C VAL A 39 6.322 -20.654 -12.660 1.00 0.00 C ATOM 607 O VAL A 39 7.333 -20.875 -13.326 1.00 0.00 O ATOM 608 CB VAL A 39 4.873 -18.697 -13.205 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.086 -17.991 -13.791 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.594 -18.229 -13.883 1.00 0.00 C ATOM 0 H VAL A 39 3.157 -20.305 -12.377 1.00 0.00 H new ATOM 0 HA VAL A 39 5.055 -20.492 -14.387 1.00 0.00 H new ATOM 0 HB VAL A 39 4.811 -18.442 -12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.962 -16.913 -13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.983 -18.304 -13.256 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.184 -18.250 -14.845 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.505 -17.147 -13.784 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.624 -18.496 -14.939 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.736 -18.708 -13.412 1.00 0.00 H new ATOM 620 N ALA A 40 6.287 -20.772 -11.337 1.00 0.00 N ATOM 621 CA ALA A 40 7.461 -21.178 -10.575 1.00 0.00 C ATOM 622 C ALA A 40 7.903 -22.586 -10.957 1.00 0.00 C ATOM 623 O ALA A 40 9.097 -22.883 -10.994 1.00 0.00 O ATOM 624 CB ALA A 40 7.175 -21.099 -9.082 1.00 0.00 C ATOM 0 H ALA A 40 5.458 -20.592 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 40 8.274 -20.493 -10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.061 -21.405 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.915 -20.075 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.345 -21.761 -8.835 1.00 0.00 H new ATOM 630 N GLN A 41 6.933 -23.450 -11.240 1.00 0.00 N ATOM 631 CA GLN A 41 7.224 -24.828 -11.618 1.00 0.00 C ATOM 632 C GLN A 41 7.910 -24.886 -12.979 1.00 0.00 C ATOM 633 O GLN A 41 8.911 -25.581 -13.152 1.00 0.00 O ATOM 634 CB GLN A 41 5.937 -25.653 -11.647 1.00 0.00 C ATOM 635 CG GLN A 41 5.591 -26.288 -10.310 1.00 0.00 C ATOM 636 CD GLN A 41 4.235 -26.967 -10.320 1.00 0.00 C ATOM 637 OE1 GLN A 41 4.083 -28.067 -10.852 1.00 0.00 O ATOM 638 NE2 GLN A 41 3.241 -26.315 -9.729 1.00 0.00 N ATOM 0 H GLN A 41 5.940 -23.220 -11.215 1.00 0.00 H new ATOM 0 HA GLN A 41 7.900 -25.248 -10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.112 -25.013 -11.960 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.035 -26.437 -12.398 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.357 -27.019 -10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.604 -25.522 -9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.411 -25.405 -9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.307 -26.724 -9.704 1.00 0.00 H new ATOM 647 N LYS A 42 7.366 -24.151 -13.942 1.00 0.00 N ATOM 648 CA LYS A 42 7.925 -24.117 -15.288 1.00 0.00 C ATOM 649 C LYS A 42 9.271 -23.398 -15.300 1.00 0.00 C ATOM 650 O LYS A 42 10.235 -23.875 -15.900 1.00 0.00 O ATOM 651 CB LYS A 42 6.956 -23.424 -16.248 1.00 0.00 C ATOM 652 CG LYS A 42 5.591 -24.087 -16.318 1.00 0.00 C ATOM 653 CD LYS A 42 5.577 -25.230 -17.319 1.00 0.00 C ATOM 654 CE LYS A 42 4.159 -25.601 -17.722 1.00 0.00 C ATOM 655 NZ LYS A 42 3.699 -24.828 -18.909 1.00 0.00 N ATOM 0 H LYS A 42 6.537 -23.570 -13.815 1.00 0.00 H new ATOM 0 HA LYS A 42 8.079 -25.145 -15.617 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.831 -22.386 -15.939 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.395 -23.409 -17.246 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.317 -24.462 -15.332 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.840 -23.348 -16.598 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.146 -24.946 -18.205 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.073 -26.099 -16.887 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.111 -26.667 -17.943 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.484 -25.418 -16.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.728 -25.110 -19.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.720 -23.811 -18.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.328 -25.022 -19.715 1.00 0.00 H new ATOM 669 N CYS A 43 9.329 -22.250 -14.634 1.00 0.00 N ATOM 670 CA CYS A 43 10.557 -21.465 -14.568 1.00 0.00 C ATOM 671 C CYS A 43 11.614 -22.180 -13.733 1.00 0.00 C ATOM 672 O CYS A 43 12.812 -21.976 -13.923 1.00 0.00 O ATOM 673 CB CYS A 43 10.272 -20.083 -13.979 1.00 0.00 C ATOM 674 SG CYS A 43 11.441 -18.805 -14.498 1.00 0.00 S ATOM 0 H CYS A 43 8.540 -21.842 -14.132 1.00 0.00 H new ATOM 0 HA CYS A 43 10.940 -21.347 -15.582 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.266 -19.778 -14.266 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.286 -20.153 -12.891 1.00 0.00 H new ATOM 0 HG CYS A 43 11.116 -17.672 -13.950 1.00 0.00 H new ATOM 680 N GLY A 44 11.161 -23.018 -12.805 1.00 0.00 N ATOM 681 CA GLY A 44 12.081 -23.749 -11.953 1.00 0.00 C ATOM 682 C GLY A 44 12.479 -22.962 -10.720 1.00 0.00 C ATOM 683 O GLY A 44 13.544 -23.191 -10.146 1.00 0.00 O ATOM 0 H GLY A 44 10.174 -23.204 -12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.620 -24.688 -11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.975 -24.003 -12.522 1.00 0.00 H new ATOM 687 N LEU A 45 11.623 -22.032 -10.313 1.00 0.00 N ATOM 688 CA LEU A 45 11.891 -21.207 -9.140 1.00 0.00 C ATOM 689 C LEU A 45 11.241 -21.802 -7.895 1.00 0.00 C ATOM 690 O LEU A 45 10.302 -22.591 -7.990 1.00 0.00 O ATOM 691 CB LEU A 45 11.379 -19.783 -9.366 1.00 0.00 C ATOM 692 CG LEU A 45 12.360 -18.813 -10.024 1.00 0.00 C ATOM 693 CD1 LEU A 45 13.496 -18.474 -9.071 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.905 -19.401 -11.317 1.00 0.00 C ATOM 0 H LEU A 45 10.738 -21.830 -10.777 1.00 0.00 H new ATOM 0 HA LEU A 45 12.970 -21.179 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.482 -19.835 -9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.080 -19.369 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 45 11.826 -17.893 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.184 -17.782 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.090 -18.011 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.028 -19.386 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.602 -18.697 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.423 -20.336 -11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.082 -19.592 -12.005 1.00 0.00 H new ATOM 706 N SER A 46 11.747 -21.416 -6.728 1.00 0.00 N ATOM 707 CA SER A 46 11.217 -21.913 -5.464 1.00 0.00 C ATOM 708 C SER A 46 9.980 -21.123 -5.045 1.00 0.00 C ATOM 709 O SER A 46 10.078 -19.969 -4.629 1.00 0.00 O ATOM 710 CB SER A 46 12.284 -21.828 -4.370 1.00 0.00 C ATOM 711 OG SER A 46 13.105 -22.983 -4.369 1.00 0.00 O ATOM 0 H SER A 46 12.523 -20.761 -6.632 1.00 0.00 H new ATOM 0 HA SER A 46 10.932 -22.956 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.898 -20.941 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.804 -21.718 -3.397 1.00 0.00 H new ATOM 0 HG SER A 46 13.780 -22.904 -3.663 1.00 0.00 H new ATOM 717 N TYR A 47 8.817 -21.754 -5.160 1.00 0.00 N ATOM 718 CA TYR A 47 7.560 -21.111 -4.797 1.00 0.00 C ATOM 719 C TYR A 47 7.536 -20.761 -3.312 1.00 0.00 C ATOM 720 O TYR A 47 6.973 -19.743 -2.910 1.00 0.00 O ATOM 721 CB TYR A 47 6.379 -22.023 -5.136 1.00 0.00 C ATOM 722 CG TYR A 47 5.034 -21.423 -4.797 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.715 -20.125 -5.177 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.081 -22.153 -4.098 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.487 -19.572 -4.869 1.00 0.00 C ATOM 726 CE2 TYR A 47 2.850 -21.609 -3.787 1.00 0.00 C ATOM 727 CZ TYR A 47 2.558 -20.318 -4.175 1.00 0.00 C ATOM 728 OH TYR A 47 1.333 -19.772 -3.866 1.00 0.00 O ATOM 0 H TYR A 47 8.719 -22.710 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 47 7.475 -20.188 -5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.405 -22.257 -6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.493 -22.965 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.439 -19.538 -5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.307 -23.164 -3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.256 -18.561 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.121 -22.191 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 47 0.796 -20.429 -3.376 1.00 0.00 H new ATOM 738 N LYS A 48 8.152 -21.614 -2.500 1.00 0.00 N ATOM 739 CA LYS A 48 8.205 -21.396 -1.059 1.00 0.00 C ATOM 740 C LYS A 48 8.840 -20.047 -0.735 1.00 0.00 C ATOM 741 O LYS A 48 8.422 -19.362 0.198 1.00 0.00 O ATOM 742 CB LYS A 48 8.995 -22.519 -0.382 1.00 0.00 C ATOM 743 CG LYS A 48 8.554 -23.911 -0.801 1.00 0.00 C ATOM 744 CD LYS A 48 8.845 -24.937 0.281 1.00 0.00 C ATOM 745 CE LYS A 48 7.871 -26.103 0.220 1.00 0.00 C ATOM 746 NZ LYS A 48 8.349 -27.268 1.016 1.00 0.00 N ATOM 0 H LYS A 48 8.622 -22.463 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 48 7.183 -21.397 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.053 -22.397 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.891 -22.424 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.486 -23.905 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.066 -24.195 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.864 -25.307 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.784 -24.462 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.898 -25.783 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.731 -26.405 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.657 -28.042 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.266 -27.590 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.458 -26.987 2.011 1.00 0.00 H new ATOM 760 N ALA A 49 9.850 -19.672 -1.513 1.00 0.00 N ATOM 761 CA ALA A 49 10.539 -18.403 -1.310 1.00 0.00 C ATOM 762 C ALA A 49 9.582 -17.227 -1.473 1.00 0.00 C ATOM 763 O ALA A 49 9.598 -16.286 -0.678 1.00 0.00 O ATOM 764 CB ALA A 49 11.705 -18.276 -2.279 1.00 0.00 C ATOM 0 H ALA A 49 10.209 -20.228 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 49 10.924 -18.385 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.211 -17.324 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.407 -19.093 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.334 -18.320 -3.303 1.00 0.00 H new ATOM 770 N LEU A 50 8.751 -17.285 -2.508 1.00 0.00 N ATOM 771 CA LEU A 50 7.787 -16.223 -2.775 1.00 0.00 C ATOM 772 C LEU A 50 6.651 -16.251 -1.758 1.00 0.00 C ATOM 773 O LEU A 50 6.155 -15.206 -1.337 1.00 0.00 O ATOM 774 CB LEU A 50 7.224 -16.364 -4.191 1.00 0.00 C ATOM 775 CG LEU A 50 6.773 -15.068 -4.865 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.625 -14.435 -4.094 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.938 -14.095 -4.984 1.00 0.00 C ATOM 0 H LEU A 50 8.725 -18.056 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 50 8.303 -15.267 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.984 -16.831 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.375 -17.047 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 50 6.421 -15.307 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.318 -13.514 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.783 -15.127 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.949 -14.210 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.599 -13.178 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.321 -13.862 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.730 -14.547 -5.581 1.00 0.00 H new ATOM 789 N VAL A 51 6.244 -17.454 -1.366 1.00 0.00 N ATOM 790 CA VAL A 51 5.168 -17.618 -0.396 1.00 0.00 C ATOM 791 C VAL A 51 5.534 -16.988 0.943 1.00 0.00 C ATOM 792 O VAL A 51 4.705 -16.344 1.585 1.00 0.00 O ATOM 793 CB VAL A 51 4.833 -19.106 -0.176 1.00 0.00 C ATOM 794 CG1 VAL A 51 3.728 -19.257 0.859 1.00 0.00 C ATOM 795 CG2 VAL A 51 4.437 -19.762 -1.490 1.00 0.00 C ATOM 0 H VAL A 51 6.643 -18.329 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 51 4.293 -17.112 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 51 5.723 -19.609 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.505 -20.314 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.054 -18.824 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.833 -18.740 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.204 -20.813 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.561 -19.258 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.262 -19.686 -2.198 1.00 0.00 H new ATOM 805 N ALA A 52 6.782 -17.178 1.358 1.00 0.00 N ATOM 806 CA ALA A 52 7.260 -16.625 2.620 1.00 0.00 C ATOM 807 C ALA A 52 7.179 -15.103 2.618 1.00 0.00 C ATOM 808 O ALA A 52 6.716 -14.494 3.583 1.00 0.00 O ATOM 809 CB ALA A 52 8.687 -17.080 2.888 1.00 0.00 C ATOM 0 H ALA A 52 7.480 -17.710 0.839 1.00 0.00 H new ATOM 0 HA ALA A 52 6.616 -16.995 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.031 -16.660 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.718 -18.168 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.335 -16.738 2.081 1.00 0.00 H new ATOM 815 N LEU A 53 7.634 -14.492 1.529 1.00 0.00 N ATOM 816 CA LEU A 53 7.614 -13.039 1.401 1.00 0.00 C ATOM 817 C LEU A 53 6.181 -12.514 1.375 1.00 0.00 C ATOM 818 O LEU A 53 5.847 -11.559 2.076 1.00 0.00 O ATOM 819 CB LEU A 53 8.350 -12.608 0.132 1.00 0.00 C ATOM 820 CG LEU A 53 9.757 -13.178 -0.054 1.00 0.00 C ATOM 821 CD1 LEU A 53 10.094 -13.296 -1.533 1.00 0.00 C ATOM 822 CD2 LEU A 53 10.782 -12.312 0.661 1.00 0.00 C ATOM 0 H LEU A 53 8.021 -14.981 0.722 1.00 0.00 H new ATOM 0 HA LEU A 53 8.121 -12.616 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.747 -12.895 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.417 -11.520 0.126 1.00 0.00 H new ATOM 0 HG LEU A 53 9.785 -14.175 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.099 -13.703 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.377 -13.959 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.048 -12.311 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.777 -12.733 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.753 -11.302 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.552 -12.280 1.726 1.00 0.00 H new ATOM 834 N ARG A 54 5.340 -13.147 0.564 1.00 0.00 N ATOM 835 CA ARG A 54 3.944 -12.744 0.447 1.00 0.00 C ATOM 836 C ARG A 54 3.240 -12.826 1.798 1.00 0.00 C ATOM 837 O ARG A 54 2.513 -11.911 2.187 1.00 0.00 O ATOM 838 CB ARG A 54 3.220 -13.627 -0.571 1.00 0.00 C ATOM 839 CG ARG A 54 2.236 -12.867 -1.445 1.00 0.00 C ATOM 840 CD ARG A 54 2.892 -12.378 -2.727 1.00 0.00 C ATOM 841 NE ARG A 54 3.741 -11.213 -2.497 1.00 0.00 N ATOM 842 CZ ARG A 54 4.556 -10.704 -3.415 1.00 0.00 C ATOM 843 NH1 ARG A 54 4.630 -11.255 -4.618 1.00 0.00 N ATOM 844 NH2 ARG A 54 5.297 -9.641 -3.129 1.00 0.00 N ATOM 0 H ARG A 54 5.601 -13.941 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 54 3.918 -11.710 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.959 -14.113 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.687 -14.417 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.392 -13.512 -1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.838 -12.017 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.489 -13.182 -3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.121 -12.127 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 54 3.707 -10.765 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.061 -12.071 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.256 -10.863 -5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.241 -9.214 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.922 -9.251 -3.834 1.00 0.00 H new ATOM 858 N ARG A 55 3.460 -13.927 2.509 1.00 0.00 N ATOM 859 CA ARG A 55 2.846 -14.128 3.816 1.00 0.00 C ATOM 860 C ARG A 55 3.224 -13.002 4.774 1.00 0.00 C ATOM 861 O ARG A 55 2.401 -12.543 5.566 1.00 0.00 O ATOM 862 CB ARG A 55 3.272 -15.476 4.402 1.00 0.00 C ATOM 863 CG ARG A 55 2.167 -16.184 5.168 1.00 0.00 C ATOM 864 CD ARG A 55 2.689 -16.799 6.457 1.00 0.00 C ATOM 865 NE ARG A 55 1.917 -17.973 6.855 1.00 0.00 N ATOM 866 CZ ARG A 55 1.985 -19.144 6.230 1.00 0.00 C ATOM 867 NH1 ARG A 55 2.785 -19.295 5.184 1.00 0.00 N ATOM 868 NH2 ARG A 55 1.251 -20.166 6.651 1.00 0.00 N ATOM 0 H ARG A 55 4.059 -14.693 2.202 1.00 0.00 H new ATOM 0 HA ARG A 55 1.764 -14.122 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.614 -16.122 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.122 -15.321 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.371 -15.476 5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.731 -16.963 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.734 -17.079 6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.655 -16.055 7.253 1.00 0.00 H new ATOM 0 HE ARG A 55 1.291 -17.890 7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.350 -18.511 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.835 -20.195 4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.634 -20.053 7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.304 -21.064 6.170 1.00 0.00 H new ATOM 882 N VAL A 56 4.476 -12.563 4.697 1.00 0.00 N ATOM 883 CA VAL A 56 4.965 -11.491 5.557 1.00 0.00 C ATOM 884 C VAL A 56 4.319 -10.158 5.194 1.00 0.00 C ATOM 885 O VAL A 56 3.984 -9.359 6.070 1.00 0.00 O ATOM 886 CB VAL A 56 6.495 -11.350 5.463 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.983 -10.219 6.356 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.175 -12.660 5.830 1.00 0.00 C ATOM 0 H VAL A 56 5.171 -12.933 4.048 1.00 0.00 H new ATOM 0 HA VAL A 56 4.695 -11.756 6.579 1.00 0.00 H new ATOM 0 HB VAL A 56 6.757 -11.107 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.067 -10.134 6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.522 -9.283 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.710 -10.429 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.256 -12.541 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.907 -12.936 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.849 -13.443 5.145 1.00 0.00 H new ATOM 898 N LEU A 57 4.146 -9.925 3.898 1.00 0.00 N ATOM 899 CA LEU A 57 3.539 -8.688 3.418 1.00 0.00 C ATOM 900 C LEU A 57 2.086 -8.583 3.871 1.00 0.00 C ATOM 901 O LEU A 57 1.655 -7.544 4.373 1.00 0.00 O ATOM 902 CB LEU A 57 3.615 -8.618 1.892 1.00 0.00 C ATOM 903 CG LEU A 57 4.813 -7.864 1.314 1.00 0.00 C ATOM 904 CD1 LEU A 57 5.959 -8.821 1.028 1.00 0.00 C ATOM 905 CD2 LEU A 57 4.413 -7.116 0.050 1.00 0.00 C ATOM 0 H LEU A 57 4.417 -10.576 3.161 1.00 0.00 H new ATOM 0 HA LEU A 57 4.094 -7.851 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.629 -9.636 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.703 -8.148 1.524 1.00 0.00 H new ATOM 0 HG LEU A 57 5.150 -7.136 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.802 -8.266 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.263 -9.311 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.634 -9.573 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.278 -6.585 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.050 -7.826 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.625 -6.401 0.285 1.00 0.00 H new ATOM 917 N LEU A 58 1.337 -9.665 3.694 1.00 0.00 N ATOM 918 CA LEU A 58 -0.068 -9.696 4.087 1.00 0.00 C ATOM 919 C LEU A 58 -0.208 -9.742 5.605 1.00 0.00 C ATOM 920 O LEU A 58 -1.150 -9.186 6.169 1.00 0.00 O ATOM 921 CB LEU A 58 -0.766 -10.905 3.462 1.00 0.00 C ATOM 922 CG LEU A 58 -0.134 -12.268 3.750 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.658 -12.833 5.061 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.405 -13.233 2.605 1.00 0.00 C ATOM 0 H LEU A 58 1.678 -10.533 3.281 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.541 -8.783 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.798 -10.924 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.798 -10.763 2.382 1.00 0.00 H new ATOM 0 HG LEU A 58 0.944 -12.136 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.197 -13.803 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.413 -12.151 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.740 -12.951 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.052 -14.198 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.481 -13.360 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.020 -12.833 1.684 1.00 0.00 H new ATOM 936 N ALA A 59 0.737 -10.407 6.261 1.00 0.00 N ATOM 937 CA ALA A 59 0.722 -10.522 7.714 1.00 0.00 C ATOM 938 C ALA A 59 0.830 -9.151 8.375 1.00 0.00 C ATOM 939 O ALA A 59 0.041 -8.815 9.258 1.00 0.00 O ATOM 940 CB ALA A 59 1.852 -11.426 8.184 1.00 0.00 C ATOM 0 H ALA A 59 1.523 -10.874 5.809 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.230 -10.965 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.828 -11.503 9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.730 -12.417 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.808 -11.006 7.870 1.00 0.00 H new ATOM 946 N GLN A 60 1.810 -8.366 7.941 1.00 0.00 N ATOM 947 CA GLN A 60 2.021 -7.032 8.492 1.00 0.00 C ATOM 948 C GLN A 60 0.984 -6.051 7.954 1.00 0.00 C ATOM 949 O GLN A 60 0.580 -5.117 8.647 1.00 0.00 O ATOM 950 CB GLN A 60 3.429 -6.537 8.160 1.00 0.00 C ATOM 951 CG GLN A 60 3.739 -6.534 6.672 1.00 0.00 C ATOM 952 CD GLN A 60 3.641 -5.151 6.058 1.00 0.00 C ATOM 953 OE1 GLN A 60 2.878 -4.929 5.118 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.414 -4.211 6.590 1.00 0.00 N ATOM 0 H GLN A 60 2.470 -8.630 7.210 1.00 0.00 H new ATOM 0 HA GLN A 60 1.911 -7.092 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.551 -5.526 8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.156 -7.166 8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.743 -6.928 6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.049 -7.205 6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.032 -4.439 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.390 -3.261 6.220 1.00 0.00 H new ATOM 963 N PHE A 61 0.558 -6.269 6.714 1.00 0.00 N ATOM 964 CA PHE A 61 -0.430 -5.403 6.082 1.00 0.00 C ATOM 965 C PHE A 61 -1.740 -5.411 6.865 1.00 0.00 C ATOM 966 O PHE A 61 -2.474 -4.423 6.879 1.00 0.00 O ATOM 967 CB PHE A 61 -0.682 -5.848 4.640 1.00 0.00 C ATOM 968 CG PHE A 61 -1.746 -5.049 3.943 1.00 0.00 C ATOM 969 CD1 PHE A 61 -1.663 -3.667 3.880 1.00 0.00 C ATOM 970 CD2 PHE A 61 -2.828 -5.679 3.351 1.00 0.00 C ATOM 971 CE1 PHE A 61 -2.640 -2.929 3.239 1.00 0.00 C ATOM 972 CE2 PHE A 61 -3.808 -4.946 2.708 1.00 0.00 C ATOM 973 CZ PHE A 61 -3.714 -3.569 2.653 1.00 0.00 C ATOM 0 H PHE A 61 0.882 -7.038 6.127 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.036 -4.387 6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.248 -5.770 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.969 -6.900 4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.825 -3.161 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.907 -6.755 3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.563 -1.853 3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.646 -5.449 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.479 -2.994 2.153 1.00 0.00 H new ATOM 983 N SER A 62 -2.027 -6.534 7.515 1.00 0.00 N ATOM 984 CA SER A 62 -3.250 -6.674 8.297 1.00 0.00 C ATOM 985 C SER A 62 -3.398 -5.521 9.285 1.00 0.00 C ATOM 986 O SER A 62 -2.449 -4.778 9.535 1.00 0.00 O ATOM 987 CB SER A 62 -3.251 -8.007 9.048 1.00 0.00 C ATOM 988 OG SER A 62 -3.166 -9.099 8.148 1.00 0.00 O ATOM 0 H SER A 62 -1.429 -7.360 7.516 1.00 0.00 H new ATOM 0 HA SER A 62 -4.096 -6.652 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.411 -8.038 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.160 -8.092 9.643 1.00 0.00 H new ATOM 0 HG SER A 62 -2.351 -9.017 7.610 1.00 0.00 H new ATOM 994 N ALA A 63 -4.595 -5.379 9.843 1.00 0.00 N ATOM 995 CA ALA A 63 -4.868 -4.318 10.805 1.00 0.00 C ATOM 996 C ALA A 63 -4.388 -4.704 12.200 1.00 0.00 C ATOM 997 O ALA A 63 -3.661 -3.951 12.848 1.00 0.00 O ATOM 998 CB ALA A 63 -6.355 -3.996 10.828 1.00 0.00 C ATOM 0 H ALA A 63 -5.391 -5.985 9.646 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.319 -3.429 10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.544 -3.202 11.551 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.672 -3.668 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.916 -4.886 11.112 1.00 0.00 H new ATOM 1004 N PHE A 64 -4.798 -5.883 12.657 1.00 0.00 N ATOM 1005 CA PHE A 64 -4.410 -6.369 13.976 1.00 0.00 C ATOM 1006 C PHE A 64 -2.957 -6.834 13.979 1.00 0.00 C ATOM 1007 O PHE A 64 -2.367 -7.118 12.936 1.00 0.00 O ATOM 1008 CB PHE A 64 -5.325 -7.516 14.409 1.00 0.00 C ATOM 1009 CG PHE A 64 -6.578 -7.056 15.098 1.00 0.00 C ATOM 1010 CD1 PHE A 64 -6.511 -6.216 16.198 1.00 0.00 C ATOM 1011 CD2 PHE A 64 -7.823 -7.464 14.646 1.00 0.00 C ATOM 1012 CE1 PHE A 64 -7.662 -5.790 16.834 1.00 0.00 C ATOM 1013 CE2 PHE A 64 -8.977 -7.041 15.277 1.00 0.00 C ATOM 1014 CZ PHE A 64 -8.897 -6.204 16.374 1.00 0.00 C ATOM 0 H PHE A 64 -5.399 -6.519 12.133 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.511 -5.546 14.683 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.597 -8.104 13.532 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.774 -8.177 15.078 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.548 -5.890 16.563 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.892 -8.120 13.791 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.596 -5.134 17.690 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.941 -7.364 14.913 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.798 -5.874 16.870 1.00 0.00 H new ATOM 1024 N PRO A 65 -2.364 -6.912 15.180 1.00 0.00 N ATOM 1025 CA PRO A 65 -0.973 -7.342 15.349 1.00 0.00 C ATOM 1026 C PRO A 65 -0.783 -8.825 15.049 1.00 0.00 C ATOM 1027 O PRO A 65 -0.973 -9.674 15.920 1.00 0.00 O ATOM 1028 CB PRO A 65 -0.690 -7.054 16.825 1.00 0.00 C ATOM 1029 CG PRO A 65 -2.026 -7.100 17.483 1.00 0.00 C ATOM 1030 CD PRO A 65 -3.006 -6.589 16.464 1.00 0.00 C ATOM 0 HA PRO A 65 -0.301 -6.826 14.663 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.014 -7.795 17.250 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.218 -6.080 16.955 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.275 -8.116 17.789 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.040 -6.483 18.382 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.977 -7.075 16.561 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.174 -5.517 16.571 1.00 0.00 H new ATOM 1038 N VAL A 66 -0.408 -9.130 13.811 1.00 0.00 N ATOM 1039 CA VAL A 66 -0.191 -10.511 13.397 1.00 0.00 C ATOM 1040 C VAL A 66 1.272 -10.909 13.554 1.00 0.00 C ATOM 1041 O VAL A 66 1.581 -12.025 13.971 1.00 0.00 O ATOM 1042 CB VAL A 66 -0.617 -10.732 11.933 1.00 0.00 C ATOM 1043 CG1 VAL A 66 -0.360 -12.171 11.513 1.00 0.00 C ATOM 1044 CG2 VAL A 66 -2.081 -10.365 11.744 1.00 0.00 C ATOM 0 H VAL A 66 -0.248 -8.440 13.077 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.806 -11.135 14.045 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.018 -10.081 11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.667 -12.308 10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.703 -12.394 11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.931 -12.844 12.152 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.365 -10.527 10.704 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.699 -10.988 12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.229 -9.316 12.002 1.00 0.00 H new ATOM 1054 N ASN A 67 2.170 -9.988 13.217 1.00 0.00 N ATOM 1055 CA ASN A 67 3.602 -10.243 13.322 1.00 0.00 C ATOM 1056 C ASN A 67 4.383 -8.935 13.402 1.00 0.00 C ATOM 1057 O ASN A 67 4.139 -8.006 12.633 1.00 0.00 O ATOM 1058 CB ASN A 67 4.083 -11.064 12.124 1.00 0.00 C ATOM 1059 CG ASN A 67 5.331 -11.868 12.437 1.00 0.00 C ATOM 1060 OD1 ASN A 67 6.343 -11.758 11.746 1.00 0.00 O ATOM 1061 ND2 ASN A 67 5.262 -12.681 13.485 1.00 0.00 N ATOM 0 H ASN A 67 1.931 -9.059 12.869 1.00 0.00 H new ATOM 0 HA ASN A 67 3.779 -10.808 14.237 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.289 -11.740 11.808 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.285 -10.396 11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.070 -13.247 13.746 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.401 -12.740 14.029 1.00 0.00 H new ATOM 1068 N GLY A 68 5.324 -8.870 14.339 1.00 0.00 N ATOM 1069 CA GLY A 68 6.126 -7.672 14.503 1.00 0.00 C ATOM 1070 C GLY A 68 7.556 -7.864 14.038 1.00 0.00 C ATOM 1071 O GLY A 68 8.486 -7.315 14.627 1.00 0.00 O ATOM 0 H GLY A 68 5.545 -9.626 14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.672 -6.855 13.943 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.125 -7.378 15.553 1.00 0.00 H new ATOM 1075 N ALA A 69 7.731 -8.646 12.978 1.00 0.00 N ATOM 1076 CA ALA A 69 9.058 -8.909 12.434 1.00 0.00 C ATOM 1077 C ALA A 69 9.044 -8.868 10.909 1.00 0.00 C ATOM 1078 O ALA A 69 8.363 -9.665 10.264 1.00 0.00 O ATOM 1079 CB ALA A 69 9.572 -10.254 12.923 1.00 0.00 C ATOM 0 H ALA A 69 6.971 -9.108 12.479 1.00 0.00 H new ATOM 0 HA ALA A 69 9.730 -8.126 12.786 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.564 -10.437 12.509 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.629 -10.248 14.012 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.893 -11.043 12.600 1.00 0.00 H new ATOM 1085 N ASP A 70 9.798 -7.934 10.340 1.00 0.00 N ATOM 1086 CA ASP A 70 9.873 -7.789 8.891 1.00 0.00 C ATOM 1087 C ASP A 70 11.138 -7.041 8.484 1.00 0.00 C ATOM 1088 O ASP A 70 11.363 -5.905 8.906 1.00 0.00 O ATOM 1089 CB ASP A 70 8.639 -7.053 8.367 1.00 0.00 C ATOM 1090 CG ASP A 70 8.184 -5.948 9.299 1.00 0.00 C ATOM 1091 OD1 ASP A 70 8.904 -4.933 9.411 1.00 0.00 O ATOM 1092 OD2 ASP A 70 7.109 -6.096 9.917 1.00 0.00 O ATOM 0 H ASP A 70 10.366 -7.266 10.860 1.00 0.00 H new ATOM 0 HA ASP A 70 9.906 -8.786 8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.861 -6.629 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.826 -7.766 8.229 1.00 0.00 H new ATOM 1097 N LEU A 71 11.961 -7.683 7.663 1.00 0.00 N ATOM 1098 CA LEU A 71 13.205 -7.079 7.199 1.00 0.00 C ATOM 1099 C LEU A 71 13.027 -6.460 5.817 1.00 0.00 C ATOM 1100 O LEU A 71 12.509 -7.099 4.901 1.00 0.00 O ATOM 1101 CB LEU A 71 14.321 -8.125 7.163 1.00 0.00 C ATOM 1102 CG LEU A 71 14.699 -8.750 8.506 1.00 0.00 C ATOM 1103 CD1 LEU A 71 15.635 -9.931 8.300 1.00 0.00 C ATOM 1104 CD2 LEU A 71 15.340 -7.712 9.415 1.00 0.00 C ATOM 0 H LEU A 71 11.789 -8.622 7.305 1.00 0.00 H new ATOM 0 HA LEU A 71 13.479 -6.289 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 71 14.021 -8.924 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.211 -7.663 6.737 1.00 0.00 H new ATOM 0 HG LEU A 71 13.790 -9.112 8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.893 -10.363 9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.141 -10.684 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.542 -9.593 7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.603 -8.174 10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.240 -7.320 8.941 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.637 -6.897 9.589 1.00 0.00 H new ATOM 1116 N TYR A 72 13.463 -5.213 5.672 1.00 0.00 N ATOM 1117 CA TYR A 72 13.352 -4.507 4.401 1.00 0.00 C ATOM 1118 C TYR A 72 14.381 -3.385 4.310 1.00 0.00 C ATOM 1119 O TYR A 72 14.636 -2.682 5.287 1.00 0.00 O ATOM 1120 CB TYR A 72 11.942 -3.937 4.232 1.00 0.00 C ATOM 1121 CG TYR A 72 11.518 -3.027 5.362 1.00 0.00 C ATOM 1122 CD1 TYR A 72 10.943 -3.542 6.517 1.00 0.00 C ATOM 1123 CD2 TYR A 72 11.692 -1.651 5.274 1.00 0.00 C ATOM 1124 CE1 TYR A 72 10.553 -2.714 7.552 1.00 0.00 C ATOM 1125 CE2 TYR A 72 11.306 -0.815 6.305 1.00 0.00 C ATOM 1126 CZ TYR A 72 10.737 -1.351 7.441 1.00 0.00 C ATOM 1127 OH TYR A 72 10.351 -0.523 8.470 1.00 0.00 O ATOM 0 H TYR A 72 13.897 -4.671 6.419 1.00 0.00 H new ATOM 0 HA TYR A 72 13.547 -5.220 3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 72 11.892 -3.385 3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.233 -4.761 4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.798 -4.608 6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 72 12.136 -1.228 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.107 -3.131 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.449 0.252 6.221 1.00 0.00 H new ATOM 0 HH TYR A 72 10.551 0.407 8.234 1.00 0.00 H new ATOM 1137 N GLU A 73 14.967 -3.223 3.128 1.00 0.00 N ATOM 1138 CA GLU A 73 15.968 -2.186 2.908 1.00 0.00 C ATOM 1139 C GLU A 73 15.758 -1.503 1.559 1.00 0.00 C ATOM 1140 O GLU A 73 15.847 -2.140 0.510 1.00 0.00 O ATOM 1141 CB GLU A 73 17.376 -2.782 2.975 1.00 0.00 C ATOM 1142 CG GLU A 73 18.459 -1.756 3.264 1.00 0.00 C ATOM 1143 CD GLU A 73 19.681 -2.366 3.922 1.00 0.00 C ATOM 1144 OE1 GLU A 73 19.508 -3.225 4.812 1.00 0.00 O ATOM 1145 OE2 GLU A 73 20.809 -1.986 3.547 1.00 0.00 O ATOM 0 H GLU A 73 14.766 -3.796 2.309 1.00 0.00 H new ATOM 0 HA GLU A 73 15.858 -1.440 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.400 -3.550 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.598 -3.275 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.755 -1.274 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.053 -0.978 3.910 1.00 0.00 H new ATOM 1152 N GLU A 74 15.477 -0.204 1.598 1.00 0.00 N ATOM 1153 CA GLU A 74 15.252 0.564 0.379 1.00 0.00 C ATOM 1154 C GLU A 74 16.487 1.385 0.017 1.00 0.00 C ATOM 1155 O GLU A 74 16.817 2.361 0.692 1.00 0.00 O ATOM 1156 CB GLU A 74 14.044 1.488 0.548 1.00 0.00 C ATOM 1157 CG GLU A 74 13.534 2.067 -0.761 1.00 0.00 C ATOM 1158 CD GLU A 74 13.302 1.006 -1.819 1.00 0.00 C ATOM 1159 OE1 GLU A 74 12.184 0.452 -1.870 1.00 0.00 O ATOM 1160 OE2 GLU A 74 14.241 0.729 -2.595 1.00 0.00 O ATOM 0 H GLU A 74 15.400 0.338 2.459 1.00 0.00 H new ATOM 0 HA GLU A 74 15.053 -0.138 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.238 0.934 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.313 2.305 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.602 2.602 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.252 2.797 -1.135 1.00 0.00 H new ATOM 1167 N LEU A 75 17.166 0.981 -1.050 1.00 0.00 N ATOM 1168 CA LEU A 75 18.365 1.678 -1.503 1.00 0.00 C ATOM 1169 C LEU A 75 18.219 2.128 -2.953 1.00 0.00 C ATOM 1170 O LEU A 75 18.775 1.514 -3.864 1.00 0.00 O ATOM 1171 CB LEU A 75 19.590 0.773 -1.358 1.00 0.00 C ATOM 1172 CG LEU A 75 20.939 1.483 -1.237 1.00 0.00 C ATOM 1173 CD1 LEU A 75 21.178 1.935 0.195 1.00 0.00 C ATOM 1174 CD2 LEU A 75 22.065 0.573 -1.707 1.00 0.00 C ATOM 0 H LEU A 75 16.907 0.174 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 75 18.498 2.562 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 75 19.452 0.146 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.629 0.107 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 75 20.922 2.366 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 75 22.143 2.438 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 75 20.388 2.623 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 75 21.175 1.068 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 75 23.017 1.095 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 75 22.084 -0.329 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 75 21.901 0.300 -2.750 1.00 0.00 H new ATOM 1186 N LYS A 76 17.470 3.206 -3.160 1.00 0.00 N ATOM 1187 CA LYS A 76 17.253 3.742 -4.498 1.00 0.00 C ATOM 1188 C LYS A 76 18.468 4.534 -4.971 1.00 0.00 C ATOM 1189 O LYS A 76 18.807 4.524 -6.155 1.00 0.00 O ATOM 1190 CB LYS A 76 16.010 4.634 -4.517 1.00 0.00 C ATOM 1191 CG LYS A 76 14.714 3.869 -4.723 1.00 0.00 C ATOM 1192 CD LYS A 76 14.454 3.599 -6.196 1.00 0.00 C ATOM 1193 CE LYS A 76 13.750 4.772 -6.861 1.00 0.00 C ATOM 1194 NZ LYS A 76 13.407 4.480 -8.280 1.00 0.00 N ATOM 0 H LYS A 76 17.003 3.726 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 76 17.101 2.904 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.953 5.182 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.116 5.373 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.758 2.924 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.884 4.438 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.399 3.405 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.845 2.701 -6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.841 5.010 -6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.390 5.653 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.944 5.310 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.275 4.261 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.762 3.665 -8.321 1.00 0.00 H new ATOM 1208 N THR A 77 19.121 5.219 -4.038 1.00 0.00 N ATOM 1209 CA THR A 77 20.299 6.016 -4.359 1.00 0.00 C ATOM 1210 C THR A 77 21.476 5.641 -3.466 1.00 0.00 C ATOM 1211 O THR A 77 21.292 5.188 -2.337 1.00 0.00 O ATOM 1212 CB THR A 77 20.015 7.522 -4.209 1.00 0.00 C ATOM 1213 OG1 THR A 77 19.239 7.760 -3.029 1.00 0.00 O ATOM 1214 CG2 THR A 77 19.274 8.057 -5.425 1.00 0.00 C ATOM 0 H THR A 77 18.854 5.238 -3.054 1.00 0.00 H new ATOM 0 HA THR A 77 20.552 5.803 -5.398 1.00 0.00 H new ATOM 0 HB THR A 77 20.969 8.042 -4.127 1.00 0.00 H new ATOM 0 HG1 THR A 77 19.064 8.720 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 77 19.085 9.123 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.880 7.902 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 77 18.326 7.531 -5.534 1.00 0.00 H new ATOM 1222 N SER A 78 22.687 5.833 -3.980 1.00 0.00 N ATOM 1223 CA SER A 78 23.896 5.512 -3.230 1.00 0.00 C ATOM 1224 C SER A 78 24.383 6.723 -2.440 1.00 0.00 C ATOM 1225 O SER A 78 24.484 6.680 -1.214 1.00 0.00 O ATOM 1226 CB SER A 78 24.996 5.031 -4.178 1.00 0.00 C ATOM 1227 OG SER A 78 24.845 3.654 -4.477 1.00 0.00 O ATOM 0 H SER A 78 22.857 6.209 -4.913 1.00 0.00 H new ATOM 0 HA SER A 78 23.657 4.714 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 78 24.966 5.612 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 78 25.972 5.203 -3.725 1.00 0.00 H new ATOM 0 HG SER A 78 25.559 3.371 -5.086 1.00 0.00 H new ATOM 1233 N THR A 79 24.684 7.804 -3.153 1.00 0.00 N ATOM 1234 CA THR A 79 25.161 9.028 -2.520 1.00 0.00 C ATOM 1235 C THR A 79 24.149 10.157 -2.673 1.00 0.00 C ATOM 1236 O THR A 79 24.000 10.728 -3.753 1.00 0.00 O ATOM 1237 CB THR A 79 26.509 9.478 -3.115 1.00 0.00 C ATOM 1238 OG1 THR A 79 26.481 9.357 -4.541 1.00 0.00 O ATOM 1239 CG2 THR A 79 27.653 8.646 -2.553 1.00 0.00 C ATOM 0 H THR A 79 24.606 7.857 -4.169 1.00 0.00 H new ATOM 0 HA THR A 79 25.295 8.805 -1.461 1.00 0.00 H new ATOM 0 HB THR A 79 26.670 10.521 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.654 9.754 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 79 28.595 8.982 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 79 27.691 8.764 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 79 27.494 7.596 -2.799 1.00 0.00 H new ATOM 1247 N ALA A 80 23.455 10.475 -1.585 1.00 0.00 N ATOM 1248 CA ALA A 80 22.459 11.538 -1.599 1.00 0.00 C ATOM 1249 C ALA A 80 23.090 12.878 -1.961 1.00 0.00 C ATOM 1250 O ALA A 80 22.916 13.376 -3.074 1.00 0.00 O ATOM 1251 CB ALA A 80 21.764 11.628 -0.248 1.00 0.00 C ATOM 0 H ALA A 80 23.565 10.011 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 80 21.718 11.297 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 80 21.022 12.426 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 80 21.271 10.681 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 80 22.501 11.841 0.527 1.00 0.00 H new ATOM 1257 N ILE A 81 23.823 13.457 -1.015 1.00 0.00 N ATOM 1258 CA ILE A 81 24.480 14.739 -1.236 1.00 0.00 C ATOM 1259 C ILE A 81 25.622 14.948 -0.248 1.00 0.00 C ATOM 1260 O ILE A 81 25.634 14.366 0.837 1.00 0.00 O ATOM 1261 CB ILE A 81 23.487 15.910 -1.111 1.00 0.00 C ATOM 1262 CG1 ILE A 81 22.266 15.486 -0.292 1.00 0.00 C ATOM 1263 CG2 ILE A 81 23.064 16.395 -2.489 1.00 0.00 C ATOM 1264 CD1 ILE A 81 21.432 16.650 0.196 1.00 0.00 C ATOM 0 H ILE A 81 23.976 13.058 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 81 24.879 14.719 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 81 23.981 16.732 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 81 21.641 14.831 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 81 22.599 14.903 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 81 22.362 17.223 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 81 23.941 16.731 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 81 22.585 15.579 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 81 20.584 16.275 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 81 22.042 17.294 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 81 21.069 17.221 -0.659 1.00 0.00 H new ATOM 1276 N LEU A 82 26.582 15.784 -0.630 1.00 0.00 N ATOM 1277 CA LEU A 82 27.729 16.073 0.223 1.00 0.00 C ATOM 1278 C LEU A 82 27.636 17.481 0.802 1.00 0.00 C ATOM 1279 O LEU A 82 27.967 17.708 1.966 1.00 0.00 O ATOM 1280 CB LEU A 82 29.029 15.919 -0.568 1.00 0.00 C ATOM 1281 CG LEU A 82 30.265 15.527 0.242 1.00 0.00 C ATOM 1282 CD1 LEU A 82 31.382 15.062 -0.680 1.00 0.00 C ATOM 1283 CD2 LEU A 82 30.732 16.692 1.102 1.00 0.00 C ATOM 0 H LEU A 82 26.588 16.273 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 82 27.726 15.360 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 82 28.873 15.167 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 82 29.236 16.861 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 82 29.996 14.701 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 82 32.254 14.787 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 82 31.045 14.197 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 82 31.649 15.868 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 82 31.613 16.394 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 82 30.982 17.539 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 82 29.936 16.979 1.789 1.00 0.00 H new ATOM 1295 N SER A 83 27.182 18.424 -0.018 1.00 0.00 N ATOM 1296 CA SER A 83 27.047 19.811 0.412 1.00 0.00 C ATOM 1297 C SER A 83 25.826 20.462 -0.229 1.00 0.00 C ATOM 1298 O SER A 83 25.734 20.563 -1.452 1.00 0.00 O ATOM 1299 CB SER A 83 28.307 20.602 0.057 1.00 0.00 C ATOM 1300 OG SER A 83 28.402 21.785 0.832 1.00 0.00 O ATOM 0 H SER A 83 26.902 18.253 -0.984 1.00 0.00 H new ATOM 0 HA SER A 83 26.915 19.819 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 83 29.188 19.982 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 83 28.293 20.858 -1.002 1.00 0.00 H new ATOM 0 HG SER A 83 29.217 22.272 0.587 1.00 0.00 H new TER 1306 SER A 83