USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 899 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 40 TYR OH : rot 85:sc= -1.1 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -151:sc= -2.69 (180deg=-5.51!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.488 USER MOD Set 2.2: A 21 SER OG : rot 94:sc= 0.553 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.258 (180deg=-0.455) USER MOD Single : A 6 LYS NZ :NH3+ -138:sc= 0.913 (180deg=-0.261) USER MOD Single : A 7 THR OG1 : rot 36:sc= 0.523 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 155:sc= 0.887 USER MOD Single : A 17 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.2) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0387 (180deg=-0.258) USER MOD Single : A 27 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0244) USER MOD Single : A 37 LYS NZ :NH3+ 133:sc= 0.0329 (180deg=-0.164) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.933 K(o=-0.93,f=-8.3!) USER MOD Single : A 52 GLN : amide:sc=-0.00686 K(o=-0.0069,f=-0.96) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00371 (180deg=-0.15) USER MOD Single : A 62 THR OG1 : rot -110:sc= 0 USER MOD Single : A 64 THR OG1 : rot 109:sc= 1.21 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.11! C(o=-1.1!,f=-9!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00148 (180deg=-0.0911) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= -0.0223 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.816 -8.729 -19.545 1.00 0.00 N ATOM 2 CA MET A 1 3.959 -8.123 -20.599 1.00 0.00 C ATOM 3 C MET A 1 2.615 -8.836 -20.681 1.00 0.00 C ATOM 4 O MET A 1 1.734 -8.447 -21.447 1.00 0.00 O ATOM 5 CB MET A 1 4.664 -8.188 -21.957 1.00 0.00 C ATOM 6 CG MET A 1 5.990 -7.447 -21.992 1.00 0.00 C ATOM 7 SD MET A 1 6.824 -7.593 -23.585 1.00 0.00 S ATOM 8 CE MET A 1 8.372 -6.764 -23.235 1.00 0.00 C ATOM 0 H1 MET A 1 5.684 -8.166 -19.437 1.00 0.00 H new ATOM 0 H2 MET A 1 4.298 -8.744 -18.643 1.00 0.00 H new ATOM 0 H3 MET A 1 5.066 -9.701 -19.817 1.00 0.00 H new ATOM 0 HA MET A 1 3.784 -7.080 -20.335 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.834 -9.232 -22.219 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.005 -7.772 -22.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.819 -6.393 -21.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.640 -7.836 -21.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.999 -6.772 -24.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.174 -5.734 -22.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.887 -7.281 -22.425 1.00 0.00 H new ATOM 20 N ALA A 2 2.466 -9.885 -19.879 1.00 0.00 N ATOM 21 CA ALA A 2 1.230 -10.659 -19.855 1.00 0.00 C ATOM 22 C ALA A 2 0.430 -10.367 -18.589 1.00 0.00 C ATOM 23 O ALA A 2 0.851 -10.726 -17.489 1.00 0.00 O ATOM 24 CB ALA A 2 1.540 -12.147 -19.954 1.00 0.00 C ATOM 0 H ALA A 2 3.185 -10.219 -19.237 1.00 0.00 H new ATOM 0 HA ALA A 2 0.626 -10.367 -20.714 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.610 -12.715 -19.935 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.068 -12.347 -20.886 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.164 -12.445 -19.112 1.00 0.00 H new ATOM 30 N PRO A 3 -0.728 -9.690 -18.730 1.00 0.00 N ATOM 31 CA PRO A 3 -1.599 -9.351 -17.592 1.00 0.00 C ATOM 32 C PRO A 3 -2.096 -10.582 -16.842 1.00 0.00 C ATOM 33 O PRO A 3 -2.389 -11.616 -17.445 1.00 0.00 O ATOM 34 CB PRO A 3 -2.775 -8.617 -18.247 1.00 0.00 C ATOM 35 CG PRO A 3 -2.233 -8.121 -19.543 1.00 0.00 C ATOM 36 CD PRO A 3 -1.274 -9.181 -20.001 1.00 0.00 C ATOM 0 HA PRO A 3 -1.069 -8.761 -16.844 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.623 -9.285 -18.401 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -3.126 -7.795 -17.623 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.030 -7.970 -20.271 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.730 -7.162 -19.418 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.776 -9.964 -20.569 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.494 -8.772 -20.643 1.00 0.00 H new ATOM 44 N LEU A 4 -2.196 -10.459 -15.524 1.00 0.00 N ATOM 45 CA LEU A 4 -2.647 -11.561 -14.687 1.00 0.00 C ATOM 46 C LEU A 4 -3.971 -11.215 -14.016 1.00 0.00 C ATOM 47 O LEU A 4 -4.243 -10.048 -13.734 1.00 0.00 O ATOM 48 CB LEU A 4 -1.591 -11.885 -13.625 1.00 0.00 C ATOM 49 CG LEU A 4 -0.192 -12.187 -14.171 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.773 -12.484 -13.035 1.00 0.00 C ATOM 51 CD2 LEU A 4 -0.237 -13.344 -15.156 1.00 0.00 C ATOM 0 H LEU A 4 -1.970 -9.606 -15.013 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.795 -12.436 -15.319 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.521 -11.044 -12.936 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.932 -12.744 -13.046 1.00 0.00 H new ATOM 0 HG LEU A 4 0.166 -11.304 -14.701 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.761 -12.696 -13.443 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.832 -11.621 -12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.419 -13.349 -12.474 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.767 -13.542 -15.531 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.619 -14.234 -14.655 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.892 -13.088 -15.989 1.00 0.00 H new ATOM 63 N ARG A 5 -4.792 -12.233 -13.769 1.00 0.00 N ATOM 64 CA ARG A 5 -6.093 -12.046 -13.126 1.00 0.00 C ATOM 65 C ARG A 5 -5.942 -11.489 -11.711 1.00 0.00 C ATOM 66 O ARG A 5 -6.752 -10.674 -11.265 1.00 0.00 O ATOM 67 CB ARG A 5 -6.873 -13.365 -13.084 1.00 0.00 C ATOM 68 CG ARG A 5 -7.484 -13.770 -14.418 1.00 0.00 C ATOM 69 CD ARG A 5 -6.474 -14.471 -15.316 1.00 0.00 C ATOM 70 NE ARG A 5 -7.079 -14.937 -16.562 1.00 0.00 N ATOM 71 CZ ARG A 5 -7.712 -16.102 -16.691 1.00 0.00 C ATOM 72 NH1 ARG A 5 -7.824 -16.920 -15.652 1.00 0.00 N ATOM 73 NH2 ARG A 5 -8.235 -16.446 -17.861 1.00 0.00 N ATOM 0 H ARG A 5 -4.579 -13.202 -14.006 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.649 -11.322 -13.722 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.206 -14.158 -12.747 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -7.668 -13.281 -12.343 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.333 -14.430 -14.243 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.868 -12.885 -14.925 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.656 -13.788 -15.544 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.042 -15.319 -14.783 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.013 -14.334 -17.382 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.425 -16.657 -14.751 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.309 -17.811 -15.755 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.152 -15.819 -18.661 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.720 -17.338 -17.960 1.00 0.00 H new ATOM 87 N LYS A 6 -4.915 -11.956 -11.004 1.00 0.00 N ATOM 88 CA LYS A 6 -4.646 -11.517 -9.633 1.00 0.00 C ATOM 89 C LYS A 6 -4.345 -10.026 -9.563 1.00 0.00 C ATOM 90 O LYS A 6 -4.759 -9.342 -8.626 1.00 0.00 O ATOM 91 CB LYS A 6 -3.478 -12.308 -9.036 1.00 0.00 C ATOM 92 CG LYS A 6 -3.812 -13.762 -8.737 1.00 0.00 C ATOM 93 CD LYS A 6 -4.752 -13.891 -7.546 1.00 0.00 C ATOM 94 CE LYS A 6 -4.007 -14.314 -6.292 1.00 0.00 C ATOM 95 NZ LYS A 6 -3.453 -15.691 -6.411 1.00 0.00 N ATOM 0 H LYS A 6 -4.250 -12.643 -11.360 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.548 -11.706 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.636 -12.273 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.155 -11.822 -8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.272 -14.218 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.893 -14.313 -8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.251 -12.938 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.529 -14.621 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.196 -13.612 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.681 -14.267 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.604 -16.204 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.934 -16.193 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.434 -15.639 -6.612 1.00 0.00 H new ATOM 109 N THR A 7 -3.617 -9.530 -10.549 1.00 0.00 N ATOM 110 CA THR A 7 -3.258 -8.120 -10.590 1.00 0.00 C ATOM 111 C THR A 7 -4.410 -7.264 -11.101 1.00 0.00 C ATOM 112 O THR A 7 -4.924 -7.478 -12.199 1.00 0.00 O ATOM 113 CB THR A 7 -2.024 -7.871 -11.481 1.00 0.00 C ATOM 114 OG1 THR A 7 -2.065 -8.731 -12.626 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.731 -8.097 -10.715 1.00 0.00 C ATOM 0 H THR A 7 -3.263 -10.080 -11.331 1.00 0.00 H new ATOM 0 HA THR A 7 -3.023 -7.836 -9.564 1.00 0.00 H new ATOM 0 HB THR A 7 -2.049 -6.830 -11.804 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.994 -8.843 -12.918 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.118 -7.913 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.687 -7.415 -9.866 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.696 -9.126 -10.356 1.00 0.00 H new ATOM 123 N ALA A 8 -4.801 -6.292 -10.295 1.00 0.00 N ATOM 124 CA ALA A 8 -5.879 -5.385 -10.652 1.00 0.00 C ATOM 125 C ALA A 8 -5.353 -4.214 -11.468 1.00 0.00 C ATOM 126 O ALA A 8 -4.195 -3.816 -11.326 1.00 0.00 O ATOM 127 CB ALA A 8 -6.582 -4.892 -9.402 1.00 0.00 C ATOM 0 H ALA A 8 -4.384 -6.110 -9.382 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.598 -5.927 -11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.388 -4.213 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.995 -5.741 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.869 -4.367 -8.767 1.00 0.00 H new ATOM 133 N VAL A 9 -6.208 -3.659 -12.315 1.00 0.00 N ATOM 134 CA VAL A 9 -5.820 -2.539 -13.155 1.00 0.00 C ATOM 135 C VAL A 9 -6.593 -1.284 -12.773 1.00 0.00 C ATOM 136 O VAL A 9 -7.827 -1.284 -12.726 1.00 0.00 O ATOM 137 CB VAL A 9 -6.053 -2.843 -14.651 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.650 -1.652 -15.520 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.284 -4.089 -15.069 1.00 0.00 C ATOM 0 H VAL A 9 -7.173 -3.966 -12.437 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.755 -2.374 -12.994 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.118 -3.026 -14.797 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.824 -1.892 -16.569 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.245 -0.782 -15.243 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.593 -1.432 -15.368 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.460 -4.288 -16.126 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.218 -3.932 -14.902 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.622 -4.940 -14.478 1.00 0.00 H new ATOM 149 N LEU A 10 -5.860 -0.222 -12.512 1.00 0.00 N ATOM 150 CA LEU A 10 -6.455 1.054 -12.154 1.00 0.00 C ATOM 151 C LEU A 10 -6.130 2.070 -13.228 1.00 0.00 C ATOM 152 O LEU A 10 -4.986 2.157 -13.674 1.00 0.00 O ATOM 153 CB LEU A 10 -5.918 1.560 -10.812 1.00 0.00 C ATOM 154 CG LEU A 10 -6.543 0.956 -9.551 1.00 0.00 C ATOM 155 CD1 LEU A 10 -5.671 1.259 -8.346 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.947 1.507 -9.326 1.00 0.00 C ATOM 0 H LEU A 10 -4.840 -0.216 -12.541 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.533 0.918 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.844 1.374 -10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.055 2.641 -10.776 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.613 -0.124 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.122 0.826 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.680 0.830 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.584 2.338 -8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.372 1.064 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.899 2.590 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.576 1.261 -10.182 1.00 0.00 H new ATOM 168 N LYS A 11 -7.119 2.846 -13.644 1.00 0.00 N ATOM 169 CA LYS A 11 -6.882 3.858 -14.656 1.00 0.00 C ATOM 170 C LYS A 11 -7.094 5.240 -14.062 1.00 0.00 C ATOM 171 O LYS A 11 -8.138 5.523 -13.469 1.00 0.00 O ATOM 172 CB LYS A 11 -7.777 3.673 -15.889 1.00 0.00 C ATOM 173 CG LYS A 11 -7.425 2.457 -16.728 1.00 0.00 C ATOM 174 CD LYS A 11 -8.313 2.354 -17.957 1.00 0.00 C ATOM 175 CE LYS A 11 -7.945 1.155 -18.813 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.813 1.040 -20.018 1.00 0.00 N ATOM 0 H LYS A 11 -8.078 2.795 -13.302 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.849 3.751 -14.988 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.814 3.590 -15.564 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.709 4.565 -16.512 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.381 2.516 -17.036 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.530 1.555 -16.125 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.355 2.275 -17.648 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.224 3.265 -18.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.903 1.238 -19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.029 0.246 -18.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.527 0.209 -20.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.805 0.935 -19.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.714 1.896 -20.600 1.00 0.00 H new ATOM 190 N LEU A 12 -6.090 6.086 -14.211 1.00 0.00 N ATOM 191 CA LEU A 12 -6.155 7.441 -13.705 1.00 0.00 C ATOM 192 C LEU A 12 -6.401 8.387 -14.864 1.00 0.00 C ATOM 193 O LEU A 12 -5.624 8.405 -15.821 1.00 0.00 O ATOM 194 CB LEU A 12 -4.839 7.814 -13.008 1.00 0.00 C ATOM 195 CG LEU A 12 -4.970 8.555 -11.670 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.622 9.121 -11.248 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.004 9.666 -11.749 1.00 0.00 C ATOM 0 H LEU A 12 -5.215 5.854 -14.682 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.966 7.517 -12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.269 6.900 -12.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.254 8.434 -13.688 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.307 7.837 -10.922 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.728 9.644 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.905 8.308 -11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.266 9.817 -12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.071 10.170 -10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.709 10.384 -12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.975 9.242 -12.005 1.00 0.00 H new ATOM 209 N TYR A 13 -7.464 9.165 -14.807 1.00 0.00 N ATOM 210 CA TYR A 13 -7.762 10.098 -15.873 1.00 0.00 C ATOM 211 C TYR A 13 -7.292 11.479 -15.448 1.00 0.00 C ATOM 212 O TYR A 13 -7.775 12.022 -14.454 1.00 0.00 O ATOM 213 CB TYR A 13 -9.266 10.108 -16.146 1.00 0.00 C ATOM 214 CG TYR A 13 -9.804 8.760 -16.584 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.312 7.858 -15.654 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.795 8.387 -17.922 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.797 6.625 -16.049 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.280 7.155 -18.322 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.779 6.279 -17.383 1.00 0.00 C ATOM 220 OH TYR A 13 -11.261 5.050 -17.775 1.00 0.00 O ATOM 0 H TYR A 13 -8.133 9.169 -14.037 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.250 9.802 -16.788 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.790 10.425 -15.244 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.483 10.847 -16.918 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.328 8.125 -14.608 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.403 9.070 -18.662 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.188 5.936 -15.315 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.268 6.881 -19.367 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.546 5.094 -18.711 1.00 0.00 H new ATOM 230 N VAL A 14 -6.358 12.049 -16.192 1.00 0.00 N ATOM 231 CA VAL A 14 -5.811 13.353 -15.853 1.00 0.00 C ATOM 232 C VAL A 14 -5.904 14.317 -17.023 1.00 0.00 C ATOM 233 O VAL A 14 -6.050 13.904 -18.177 1.00 0.00 O ATOM 234 CB VAL A 14 -4.336 13.247 -15.398 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.232 12.479 -14.086 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.482 12.591 -16.475 1.00 0.00 C ATOM 0 H VAL A 14 -5.963 11.630 -17.034 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.411 13.737 -15.028 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.958 14.256 -15.235 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.187 12.416 -13.783 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.802 12.997 -13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.633 11.474 -14.220 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.449 12.528 -16.132 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.859 11.589 -16.678 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.526 13.187 -17.387 1.00 0.00 H new ATOM 246 N ALA A 15 -5.810 15.603 -16.720 1.00 0.00 N ATOM 247 CA ALA A 15 -5.882 16.627 -17.743 1.00 0.00 C ATOM 248 C ALA A 15 -4.574 17.398 -17.802 1.00 0.00 C ATOM 249 O ALA A 15 -4.296 18.239 -16.944 1.00 0.00 O ATOM 250 CB ALA A 15 -7.052 17.566 -17.489 1.00 0.00 C ATOM 0 H ALA A 15 -5.684 15.959 -15.773 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.046 16.144 -18.706 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.085 18.326 -18.270 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.982 16.998 -17.496 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.928 18.048 -16.519 1.00 0.00 H new ATOM 256 N GLY A 16 -3.776 17.107 -18.828 1.00 0.00 N ATOM 257 CA GLY A 16 -2.496 17.770 -18.998 1.00 0.00 C ATOM 258 C GLY A 16 -1.561 17.527 -17.833 1.00 0.00 C ATOM 259 O GLY A 16 -1.370 16.387 -17.409 1.00 0.00 O ATOM 0 H GLY A 16 -3.997 16.419 -19.548 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.027 17.418 -19.917 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.658 18.842 -19.113 1.00 0.00 H new ATOM 263 N ASN A 17 -0.978 18.597 -17.311 1.00 0.00 N ATOM 264 CA ASN A 17 -0.060 18.488 -16.187 1.00 0.00 C ATOM 265 C ASN A 17 -0.419 19.502 -15.113 1.00 0.00 C ATOM 266 O ASN A 17 0.428 20.263 -14.645 1.00 0.00 O ATOM 267 CB ASN A 17 1.385 18.697 -16.654 1.00 0.00 C ATOM 268 CG ASN A 17 2.388 17.940 -15.807 1.00 0.00 C ATOM 269 OD1 ASN A 17 2.155 16.795 -15.428 1.00 0.00 O ATOM 270 ND2 ASN A 17 3.511 18.579 -15.504 1.00 0.00 N ATOM 0 H ASN A 17 -1.124 19.549 -17.647 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.146 17.487 -15.765 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.477 18.377 -17.692 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.621 19.761 -16.626 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.222 18.119 -14.935 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.663 19.530 -15.840 1.00 0.00 H new ATOM 277 N THR A 18 -1.694 19.517 -14.743 1.00 0.00 N ATOM 278 CA THR A 18 -2.178 20.416 -13.710 1.00 0.00 C ATOM 279 C THR A 18 -1.704 19.940 -12.351 1.00 0.00 C ATOM 280 O THR A 18 -1.417 18.757 -12.175 1.00 0.00 O ATOM 281 CB THR A 18 -3.718 20.516 -13.722 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.303 19.214 -13.592 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.206 21.184 -14.994 1.00 0.00 C ATOM 0 H THR A 18 -2.411 18.914 -15.146 1.00 0.00 H new ATOM 0 HA THR A 18 -1.776 21.408 -13.913 1.00 0.00 H new ATOM 0 HB THR A 18 -4.025 21.127 -12.874 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.280 19.292 -13.600 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.294 21.243 -14.979 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.789 22.189 -15.060 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.886 20.601 -15.857 1.00 0.00 H new ATOM 291 N PRO A 19 -1.617 20.848 -11.372 1.00 0.00 N ATOM 292 CA PRO A 19 -1.165 20.498 -10.024 1.00 0.00 C ATOM 293 C PRO A 19 -2.022 19.413 -9.390 1.00 0.00 C ATOM 294 O PRO A 19 -1.516 18.577 -8.649 1.00 0.00 O ATOM 295 CB PRO A 19 -1.295 21.813 -9.247 1.00 0.00 C ATOM 296 CG PRO A 19 -2.176 22.680 -10.086 1.00 0.00 C ATOM 297 CD PRO A 19 -1.904 22.283 -11.501 1.00 0.00 C ATOM 0 HA PRO A 19 -0.153 20.092 -10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.730 21.646 -8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.321 22.276 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.226 22.533 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.954 23.735 -9.926 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.761 22.470 -12.148 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.061 22.830 -11.922 1.00 0.00 H new ATOM 305 N ASN A 20 -3.316 19.427 -9.688 1.00 0.00 N ATOM 306 CA ASN A 20 -4.219 18.406 -9.155 1.00 0.00 C ATOM 307 C ASN A 20 -3.862 17.041 -9.741 1.00 0.00 C ATOM 308 O ASN A 20 -3.834 16.037 -9.033 1.00 0.00 O ATOM 309 CB ASN A 20 -5.689 18.731 -9.467 1.00 0.00 C ATOM 310 CG ASN A 20 -6.162 19.999 -8.781 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.504 20.979 -9.438 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.187 19.984 -7.454 1.00 0.00 N ATOM 0 H ASN A 20 -3.762 20.122 -10.287 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.099 18.388 -8.072 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.814 18.837 -10.545 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.317 17.897 -9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.499 20.808 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.894 19.148 -6.948 1.00 0.00 H new ATOM 319 N SER A 21 -3.587 17.022 -11.051 1.00 0.00 N ATOM 320 CA SER A 21 -3.208 15.798 -11.751 1.00 0.00 C ATOM 321 C SER A 21 -1.820 15.342 -11.329 1.00 0.00 C ATOM 322 O SER A 21 -1.601 14.153 -11.111 1.00 0.00 O ATOM 323 CB SER A 21 -3.245 16.019 -13.264 1.00 0.00 C ATOM 324 OG SER A 21 -4.564 16.294 -13.710 1.00 0.00 O ATOM 0 H SER A 21 -3.622 17.849 -11.647 1.00 0.00 H new ATOM 0 HA SER A 21 -3.924 15.020 -11.486 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.588 16.848 -13.529 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.863 15.134 -13.773 1.00 0.00 H new ATOM 0 HG SER A 21 -4.702 17.264 -13.745 1.00 0.00 H new ATOM 330 N VAL A 22 -0.892 16.282 -11.209 1.00 0.00 N ATOM 331 CA VAL A 22 0.467 15.955 -10.796 1.00 0.00 C ATOM 332 C VAL A 22 0.475 15.417 -9.367 1.00 0.00 C ATOM 333 O VAL A 22 1.132 14.418 -9.071 1.00 0.00 O ATOM 334 CB VAL A 22 1.408 17.176 -10.902 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.748 16.897 -10.238 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.601 17.581 -12.353 1.00 0.00 C ATOM 0 H VAL A 22 -1.054 17.273 -11.391 1.00 0.00 H new ATOM 0 HA VAL A 22 0.837 15.186 -11.474 1.00 0.00 H new ATOM 0 HB VAL A 22 0.940 18.006 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.389 17.774 -10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.591 16.670 -9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.226 16.047 -10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.267 18.442 -12.405 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.038 16.751 -12.907 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.637 17.841 -12.790 1.00 0.00 H new ATOM 346 N ARG A 23 -0.274 16.084 -8.499 1.00 0.00 N ATOM 347 CA ARG A 23 -0.368 15.696 -7.099 1.00 0.00 C ATOM 348 C ARG A 23 -0.975 14.309 -6.967 1.00 0.00 C ATOM 349 O ARG A 23 -0.442 13.447 -6.267 1.00 0.00 O ATOM 350 CB ARG A 23 -1.255 16.691 -6.365 1.00 0.00 C ATOM 351 CG ARG A 23 -0.914 16.884 -4.901 1.00 0.00 C ATOM 352 CD ARG A 23 -0.153 18.180 -4.681 1.00 0.00 C ATOM 353 NE ARG A 23 1.282 18.021 -4.910 1.00 0.00 N ATOM 354 CZ ARG A 23 2.155 19.022 -4.855 1.00 0.00 C ATOM 355 NH1 ARG A 23 1.740 20.253 -4.579 1.00 0.00 N ATOM 356 NH2 ARG A 23 3.443 18.793 -5.075 1.00 0.00 N ATOM 0 H ARG A 23 -0.830 16.904 -8.744 1.00 0.00 H new ATOM 0 HA ARG A 23 0.634 15.688 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.190 17.655 -6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.291 16.360 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.830 16.892 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.315 16.043 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.544 18.947 -5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.321 18.530 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 23 1.634 17.088 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.750 20.431 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.411 21.020 -4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.764 17.848 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.112 19.562 -5.033 1.00 0.00 H new ATOM 370 N ALA A 24 -2.100 14.109 -7.651 1.00 0.00 N ATOM 371 CA ALA A 24 -2.799 12.831 -7.610 1.00 0.00 C ATOM 372 C ALA A 24 -1.944 11.708 -8.189 1.00 0.00 C ATOM 373 O ALA A 24 -1.875 10.614 -7.628 1.00 0.00 O ATOM 374 CB ALA A 24 -4.117 12.924 -8.360 1.00 0.00 C ATOM 0 H ALA A 24 -2.544 14.815 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.999 12.597 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.627 11.961 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.745 13.687 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.926 13.191 -9.399 1.00 0.00 H new ATOM 380 N LEU A 25 -1.296 11.995 -9.318 1.00 0.00 N ATOM 381 CA LEU A 25 -0.436 11.026 -9.993 1.00 0.00 C ATOM 382 C LEU A 25 0.735 10.613 -9.105 1.00 0.00 C ATOM 383 O LEU A 25 1.014 9.425 -8.959 1.00 0.00 O ATOM 384 CB LEU A 25 0.074 11.606 -11.317 1.00 0.00 C ATOM 385 CG LEU A 25 1.030 10.712 -12.110 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.356 9.402 -12.486 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.520 11.436 -13.354 1.00 0.00 C ATOM 0 H LEU A 25 -1.352 12.899 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.027 10.134 -10.201 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.786 11.836 -11.947 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.578 12.550 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 25 1.889 10.483 -11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.054 8.782 -13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.052 8.876 -11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.522 9.607 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.199 10.788 -13.908 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.669 11.693 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.044 12.346 -13.063 1.00 0.00 H new ATOM 399 N LYS A 26 1.406 11.595 -8.511 1.00 0.00 N ATOM 400 CA LYS A 26 2.540 11.325 -7.635 1.00 0.00 C ATOM 401 C LYS A 26 2.102 10.510 -6.418 1.00 0.00 C ATOM 402 O LYS A 26 2.762 9.543 -6.034 1.00 0.00 O ATOM 403 CB LYS A 26 3.185 12.640 -7.186 1.00 0.00 C ATOM 404 CG LYS A 26 4.420 12.454 -6.317 1.00 0.00 C ATOM 405 CD LYS A 26 5.015 13.788 -5.886 1.00 0.00 C ATOM 406 CE LYS A 26 5.609 14.548 -7.062 1.00 0.00 C ATOM 407 NZ LYS A 26 6.739 13.808 -7.690 1.00 0.00 N ATOM 0 H LYS A 26 1.184 12.584 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 26 3.274 10.743 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.457 13.220 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.449 13.225 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.159 11.871 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.168 11.883 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.242 14.395 -5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.788 13.616 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.834 14.727 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.958 15.524 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.274 14.451 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.367 13.438 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.366 13.017 -8.253 1.00 0.00 H new ATOM 421 N THR A 27 0.981 10.911 -5.825 1.00 0.00 N ATOM 422 CA THR A 27 0.433 10.242 -4.650 1.00 0.00 C ATOM 423 C THR A 27 0.036 8.795 -4.948 1.00 0.00 C ATOM 424 O THR A 27 0.418 7.878 -4.220 1.00 0.00 O ATOM 425 CB THR A 27 -0.796 11.021 -4.138 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.411 12.357 -3.792 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.420 10.354 -2.927 1.00 0.00 C ATOM 0 H THR A 27 0.429 11.707 -6.145 1.00 0.00 H new ATOM 0 HA THR A 27 1.211 10.222 -3.886 1.00 0.00 H new ATOM 0 HB THR A 27 -1.536 11.035 -4.939 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.324 12.894 -4.607 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.282 10.933 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.739 9.346 -3.191 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.687 10.303 -2.122 1.00 0.00 H new ATOM 435 N LEU A 28 -0.716 8.595 -6.027 1.00 0.00 N ATOM 436 CA LEU A 28 -1.179 7.260 -6.396 1.00 0.00 C ATOM 437 C LEU A 28 -0.034 6.347 -6.842 1.00 0.00 C ATOM 438 O LEU A 28 0.057 5.200 -6.402 1.00 0.00 O ATOM 439 CB LEU A 28 -2.228 7.360 -7.508 1.00 0.00 C ATOM 440 CG LEU A 28 -2.812 6.025 -7.983 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.544 5.318 -6.851 1.00 0.00 C ATOM 442 CD2 LEU A 28 -3.745 6.243 -9.161 1.00 0.00 C ATOM 0 H LEU A 28 -1.017 9.337 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.622 6.814 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.045 7.990 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.779 7.866 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.987 5.389 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.949 4.373 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.850 5.125 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.358 5.949 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.151 5.285 -9.486 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.561 6.900 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.193 6.700 -9.982 1.00 0.00 H new ATOM 454 N ALA A 29 0.847 6.864 -7.704 1.00 0.00 N ATOM 455 CA ALA A 29 1.961 6.078 -8.233 1.00 0.00 C ATOM 456 C ALA A 29 2.928 5.613 -7.152 1.00 0.00 C ATOM 457 O ALA A 29 3.359 4.467 -7.163 1.00 0.00 O ATOM 458 CB ALA A 29 2.712 6.871 -9.293 1.00 0.00 C ATOM 0 H ALA A 29 0.809 7.823 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 29 1.526 5.183 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.538 6.273 -9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.034 7.120 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.102 7.788 -8.853 1.00 0.00 H new ATOM 464 N ASN A 30 3.261 6.495 -6.212 1.00 0.00 N ATOM 465 CA ASN A 30 4.190 6.139 -5.140 1.00 0.00 C ATOM 466 C ASN A 30 3.609 5.036 -4.263 1.00 0.00 C ATOM 467 O ASN A 30 4.312 4.105 -3.874 1.00 0.00 O ATOM 468 CB ASN A 30 4.533 7.367 -4.291 1.00 0.00 C ATOM 469 CG ASN A 30 5.718 7.128 -3.375 1.00 0.00 C ATOM 470 OD1 ASN A 30 6.700 6.499 -3.765 1.00 0.00 O ATOM 471 ND2 ASN A 30 5.635 7.633 -2.151 1.00 0.00 N ATOM 0 H ASN A 30 2.907 7.451 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 30 5.106 5.767 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.750 8.210 -4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.665 7.645 -3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.404 7.506 -1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.802 8.149 -1.867 1.00 0.00 H new ATOM 478 N ILE A 31 2.324 5.146 -3.952 1.00 0.00 N ATOM 479 CA ILE A 31 1.654 4.143 -3.143 1.00 0.00 C ATOM 480 C ILE A 31 1.614 2.799 -3.879 1.00 0.00 C ATOM 481 O ILE A 31 1.888 1.749 -3.303 1.00 0.00 O ATOM 482 CB ILE A 31 0.248 4.615 -2.734 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.395 5.744 -1.715 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.591 3.476 -2.175 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.888 6.463 -1.414 1.00 0.00 C ATOM 0 H ILE A 31 1.728 5.919 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 31 2.224 3.999 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.278 4.979 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.796 5.334 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.124 6.463 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.576 3.852 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.698 2.698 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.101 3.061 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.701 7.250 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.281 6.905 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.614 5.758 -1.011 1.00 0.00 H new ATOM 497 N LEU A 32 1.281 2.857 -5.163 1.00 0.00 N ATOM 498 CA LEU A 32 1.220 1.668 -6.012 1.00 0.00 C ATOM 499 C LEU A 32 2.598 1.033 -6.239 1.00 0.00 C ATOM 500 O LEU A 32 2.706 -0.182 -6.347 1.00 0.00 O ATOM 501 CB LEU A 32 0.565 2.004 -7.353 1.00 0.00 C ATOM 502 CG LEU A 32 -0.948 2.246 -7.302 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.430 2.867 -8.600 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.674 0.938 -7.058 1.00 0.00 C ATOM 0 H LEU A 32 1.046 3.724 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 32 0.612 0.933 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.045 2.894 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.762 1.189 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.162 2.934 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.506 3.032 -8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.924 3.820 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.206 2.196 -9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.748 1.119 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.449 0.241 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.347 0.512 -6.110 1.00 0.00 H new ATOM 516 N GLU A 33 3.644 1.855 -6.342 1.00 0.00 N ATOM 517 CA GLU A 33 5.001 1.347 -6.584 1.00 0.00 C ATOM 518 C GLU A 33 5.747 0.996 -5.296 1.00 0.00 C ATOM 519 O GLU A 33 6.893 0.553 -5.348 1.00 0.00 O ATOM 520 CB GLU A 33 5.819 2.369 -7.369 1.00 0.00 C ATOM 521 CG GLU A 33 5.228 2.702 -8.728 1.00 0.00 C ATOM 522 CD GLU A 33 5.322 1.553 -9.714 1.00 0.00 C ATOM 523 OE1 GLU A 33 6.118 0.620 -9.472 1.00 0.00 O ATOM 524 OE2 GLU A 33 4.598 1.589 -10.731 1.00 0.00 O ATOM 0 H GLU A 33 3.581 2.870 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 33 4.884 0.429 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.901 3.284 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.830 1.986 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.182 2.982 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.744 3.570 -9.140 1.00 0.00 H new ATOM 531 N LYS A 34 5.123 1.205 -4.147 1.00 0.00 N ATOM 532 CA LYS A 34 5.776 0.887 -2.883 1.00 0.00 C ATOM 533 C LYS A 34 4.879 0.042 -1.985 1.00 0.00 C ATOM 534 O LYS A 34 5.196 -1.106 -1.676 1.00 0.00 O ATOM 535 CB LYS A 34 6.183 2.169 -2.157 1.00 0.00 C ATOM 536 CG LYS A 34 7.685 2.311 -1.976 1.00 0.00 C ATOM 537 CD LYS A 34 8.172 3.669 -2.444 1.00 0.00 C ATOM 538 CE LYS A 34 9.619 3.911 -2.048 1.00 0.00 C ATOM 539 NZ LYS A 34 10.539 2.915 -2.666 1.00 0.00 N ATOM 0 H LYS A 34 4.181 1.587 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 34 6.668 0.304 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.809 3.028 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.703 2.191 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.941 2.173 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.196 1.527 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.074 3.738 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.542 4.449 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.915 4.915 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.711 3.865 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.522 3.155 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.316 1.966 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.422 2.928 -3.699 1.00 0.00 H new ATOM 553 N GLU A 35 3.761 0.625 -1.576 1.00 0.00 N ATOM 554 CA GLU A 35 2.809 -0.045 -0.695 1.00 0.00 C ATOM 555 C GLU A 35 2.162 -1.275 -1.343 1.00 0.00 C ATOM 556 O GLU A 35 2.006 -2.308 -0.694 1.00 0.00 O ATOM 557 CB GLU A 35 1.728 0.953 -0.263 1.00 0.00 C ATOM 558 CG GLU A 35 2.229 2.021 0.699 1.00 0.00 C ATOM 559 CD GLU A 35 2.764 1.443 1.996 1.00 0.00 C ATOM 560 OE1 GLU A 35 2.054 0.625 2.618 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.891 1.810 2.388 1.00 0.00 O ATOM 0 H GLU A 35 3.487 1.571 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 35 3.363 -0.404 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.319 1.438 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.910 0.408 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.015 2.600 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.416 2.712 0.923 1.00 0.00 H new ATOM 568 N PHE A 36 1.785 -1.169 -2.617 1.00 0.00 N ATOM 569 CA PHE A 36 1.142 -2.284 -3.310 1.00 0.00 C ATOM 570 C PHE A 36 1.876 -2.678 -4.591 1.00 0.00 C ATOM 571 O PHE A 36 1.252 -3.152 -5.546 1.00 0.00 O ATOM 572 CB PHE A 36 -0.319 -1.944 -3.620 1.00 0.00 C ATOM 573 CG PHE A 36 -1.176 -1.828 -2.389 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.356 -0.604 -1.764 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.794 -2.945 -1.852 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.135 -0.497 -0.629 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.575 -2.845 -0.717 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.745 -1.620 -0.104 1.00 0.00 C ATOM 0 H PHE A 36 1.912 -0.331 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 36 1.182 -3.143 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.357 -1.004 -4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.734 -2.713 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.881 0.277 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.664 -3.906 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.267 0.463 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.052 -3.724 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.354 -1.540 0.784 1.00 0.00 H new ATOM 588 N LYS A 37 3.193 -2.478 -4.616 1.00 0.00 N ATOM 589 CA LYS A 37 3.991 -2.817 -5.791 1.00 0.00 C ATOM 590 C LYS A 37 3.895 -4.305 -6.114 1.00 0.00 C ATOM 591 O LYS A 37 4.087 -5.156 -5.245 1.00 0.00 O ATOM 592 CB LYS A 37 5.454 -2.428 -5.574 1.00 0.00 C ATOM 593 CG LYS A 37 6.332 -2.661 -6.794 1.00 0.00 C ATOM 594 CD LYS A 37 7.762 -2.212 -6.547 1.00 0.00 C ATOM 595 CE LYS A 37 8.639 -2.478 -7.755 1.00 0.00 C ATOM 596 NZ LYS A 37 8.192 -1.712 -8.951 1.00 0.00 N ATOM 0 H LYS A 37 3.726 -2.085 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 37 3.592 -2.255 -6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.504 -1.375 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.853 -2.999 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.322 -3.720 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.922 -2.120 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.776 -1.148 -6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.165 -2.735 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.670 -2.213 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.628 -3.544 -7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.013 -1.255 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.744 -2.360 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.506 -0.986 -8.662 1.00 0.00 H new ATOM 610 N GLY A 38 3.595 -4.607 -7.374 1.00 0.00 N ATOM 611 CA GLY A 38 3.477 -5.988 -7.800 1.00 0.00 C ATOM 612 C GLY A 38 2.062 -6.520 -7.681 1.00 0.00 C ATOM 613 O GLY A 38 1.771 -7.621 -8.148 1.00 0.00 O ATOM 0 H GLY A 38 3.431 -3.918 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.807 -6.074 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.145 -6.607 -7.201 1.00 0.00 H new ATOM 617 N VAL A 39 1.178 -5.744 -7.061 1.00 0.00 N ATOM 618 CA VAL A 39 -0.208 -6.170 -6.898 1.00 0.00 C ATOM 619 C VAL A 39 -1.132 -5.403 -7.842 1.00 0.00 C ATOM 620 O VAL A 39 -2.039 -5.987 -8.439 1.00 0.00 O ATOM 621 CB VAL A 39 -0.699 -6.012 -5.440 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.126 -6.525 -5.288 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.236 -6.732 -4.479 1.00 0.00 C ATOM 0 H VAL A 39 1.393 -4.828 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.241 -7.230 -7.150 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.694 -4.950 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.448 -6.403 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.788 -5.959 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.164 -7.580 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.126 -6.609 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.267 -7.793 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.238 -6.310 -4.562 1.00 0.00 H new ATOM 633 N TYR A 40 -0.912 -4.099 -7.986 1.00 0.00 N ATOM 634 CA TYR A 40 -1.762 -3.307 -8.870 1.00 0.00 C ATOM 635 C TYR A 40 -0.990 -2.744 -10.058 1.00 0.00 C ATOM 636 O TYR A 40 0.175 -2.368 -9.937 1.00 0.00 O ATOM 637 CB TYR A 40 -2.417 -2.150 -8.120 1.00 0.00 C ATOM 638 CG TYR A 40 -3.627 -2.499 -7.300 1.00 0.00 C ATOM 639 CD1 TYR A 40 -3.510 -3.069 -6.040 1.00 0.00 C ATOM 640 CD2 TYR A 40 -4.897 -2.216 -7.778 1.00 0.00 C ATOM 641 CE1 TYR A 40 -4.628 -3.347 -5.281 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.016 -2.496 -7.030 1.00 0.00 C ATOM 643 CZ TYR A 40 -5.878 -3.059 -5.785 1.00 0.00 C ATOM 644 OH TYR A 40 -6.995 -3.324 -5.040 1.00 0.00 O ATOM 0 H TYR A 40 -0.172 -3.579 -7.515 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.529 -3.987 -9.240 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.673 -1.702 -7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.701 -1.387 -8.845 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.530 -3.298 -5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.009 -1.768 -8.754 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.525 -3.787 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.999 -2.274 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.169 -2.574 -4.434 1.00 0.00 H new ATOM 654 N ALA A 41 -1.659 -2.692 -11.206 1.00 0.00 N ATOM 655 CA ALA A 41 -1.074 -2.129 -12.414 1.00 0.00 C ATOM 656 C ALA A 41 -1.682 -0.751 -12.665 1.00 0.00 C ATOM 657 O ALA A 41 -2.907 -0.608 -12.712 1.00 0.00 O ATOM 658 CB ALA A 41 -1.306 -3.052 -13.602 1.00 0.00 C ATOM 0 H ALA A 41 -2.612 -3.036 -11.323 1.00 0.00 H new ATOM 0 HA ALA A 41 0.003 -2.026 -12.284 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.861 -2.614 -14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.846 -4.021 -13.406 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.377 -3.184 -13.757 1.00 0.00 H new ATOM 664 N LEU A 42 -0.835 0.263 -12.820 1.00 0.00 N ATOM 665 CA LEU A 42 -1.324 1.627 -13.022 1.00 0.00 C ATOM 666 C LEU A 42 -1.355 2.036 -14.493 1.00 0.00 C ATOM 667 O LEU A 42 -0.376 1.890 -15.224 1.00 0.00 O ATOM 668 CB LEU A 42 -0.474 2.619 -12.218 1.00 0.00 C ATOM 669 CG LEU A 42 -0.856 4.097 -12.379 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.286 4.342 -11.917 1.00 0.00 C ATOM 671 CD2 LEU A 42 0.110 4.983 -11.606 1.00 0.00 C ATOM 0 H LEU A 42 0.181 0.171 -12.810 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.354 1.648 -12.665 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.542 2.357 -11.162 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.569 2.497 -12.510 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.792 4.351 -13.437 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.533 5.396 -12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.970 3.737 -12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.381 4.068 -10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.175 6.028 -11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.077 4.722 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.121 4.835 -11.984 1.00 0.00 H new ATOM 683 N LYS A 43 -2.510 2.552 -14.900 1.00 0.00 N ATOM 684 CA LYS A 43 -2.740 3.033 -16.250 1.00 0.00 C ATOM 685 C LYS A 43 -3.248 4.465 -16.162 1.00 0.00 C ATOM 686 O LYS A 43 -4.138 4.766 -15.376 1.00 0.00 O ATOM 687 CB LYS A 43 -3.758 2.162 -16.987 1.00 0.00 C ATOM 688 CG LYS A 43 -3.166 1.316 -18.102 1.00 0.00 C ATOM 689 CD LYS A 43 -2.297 0.193 -17.561 1.00 0.00 C ATOM 690 CE LYS A 43 -1.846 -0.734 -18.677 1.00 0.00 C ATOM 691 NZ LYS A 43 -0.983 -1.836 -18.172 1.00 0.00 N ATOM 0 H LYS A 43 -3.322 2.647 -14.290 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.807 2.989 -16.811 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.245 1.504 -16.267 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.532 2.804 -17.406 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.971 0.894 -18.704 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.572 1.949 -18.762 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.426 0.613 -17.058 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.853 -0.374 -16.815 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.720 -1.156 -19.173 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.300 -0.161 -19.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.698 -2.445 -18.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.136 -1.435 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.512 -2.400 -17.476 1.00 0.00 H new ATOM 705 N VAL A 44 -2.670 5.343 -16.957 1.00 0.00 N ATOM 706 CA VAL A 44 -3.045 6.751 -16.957 1.00 0.00 C ATOM 707 C VAL A 44 -3.533 7.180 -18.331 1.00 0.00 C ATOM 708 O VAL A 44 -2.884 6.933 -19.348 1.00 0.00 O ATOM 709 CB VAL A 44 -1.858 7.625 -16.499 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.190 9.107 -16.590 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.448 7.261 -15.079 1.00 0.00 C ATOM 0 H VAL A 44 -1.931 5.107 -17.619 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.864 6.888 -16.251 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.022 7.429 -17.170 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.332 9.693 -16.260 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.429 9.364 -17.622 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.047 9.328 -15.953 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.610 7.886 -14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.289 7.423 -14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.151 6.213 -15.043 1.00 0.00 H new ATOM 721 N ILE A 45 -4.694 7.825 -18.338 1.00 0.00 N ATOM 722 CA ILE A 45 -5.329 8.274 -19.559 1.00 0.00 C ATOM 723 C ILE A 45 -5.329 9.799 -19.615 1.00 0.00 C ATOM 724 O ILE A 45 -5.942 10.456 -18.768 1.00 0.00 O ATOM 725 CB ILE A 45 -6.792 7.774 -19.587 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.853 6.261 -19.332 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.492 8.128 -20.899 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.088 5.425 -20.334 1.00 0.00 C ATOM 0 H ILE A 45 -5.218 8.049 -17.492 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.780 7.878 -20.413 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.325 8.286 -18.786 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.463 6.057 -18.335 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.897 5.946 -19.337 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.517 7.758 -20.876 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.500 9.210 -21.027 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.959 7.668 -21.731 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.185 4.370 -20.078 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.491 5.594 -21.332 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.035 5.707 -20.315 1.00 0.00 H new ATOM 740 N ASP A 46 -4.634 10.370 -20.594 1.00 0.00 N ATOM 741 CA ASP A 46 -4.598 11.819 -20.738 1.00 0.00 C ATOM 742 C ASP A 46 -5.797 12.267 -21.561 1.00 0.00 C ATOM 743 O ASP A 46 -5.811 12.116 -22.785 1.00 0.00 O ATOM 744 CB ASP A 46 -3.301 12.267 -21.413 1.00 0.00 C ATOM 745 CG ASP A 46 -3.087 13.766 -21.316 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.908 14.528 -21.870 1.00 0.00 O ATOM 747 OD2 ASP A 46 -2.097 14.181 -20.680 1.00 0.00 O ATOM 0 H ASP A 46 -4.094 9.857 -21.291 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.638 12.275 -19.749 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.458 11.752 -20.953 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.320 11.972 -22.462 1.00 0.00 H new ATOM 752 N VAL A 47 -6.796 12.816 -20.889 1.00 0.00 N ATOM 753 CA VAL A 47 -8.024 13.247 -21.555 1.00 0.00 C ATOM 754 C VAL A 47 -7.821 14.430 -22.516 1.00 0.00 C ATOM 755 O VAL A 47 -8.517 14.525 -23.526 1.00 0.00 O ATOM 756 CB VAL A 47 -9.123 13.589 -20.524 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.404 12.386 -19.632 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.738 14.799 -19.684 1.00 0.00 C ATOM 0 H VAL A 47 -6.785 12.976 -19.882 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.342 12.399 -22.162 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.031 13.841 -21.071 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.180 12.641 -18.911 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.739 11.549 -20.245 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.494 12.106 -19.102 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.532 15.013 -18.969 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.813 14.590 -19.147 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.593 15.662 -20.334 1.00 0.00 H new ATOM 768 N LEU A 48 -6.893 15.338 -22.207 1.00 0.00 N ATOM 769 CA LEU A 48 -6.652 16.495 -23.077 1.00 0.00 C ATOM 770 C LEU A 48 -5.988 16.115 -24.402 1.00 0.00 C ATOM 771 O LEU A 48 -6.329 16.670 -25.446 1.00 0.00 O ATOM 772 CB LEU A 48 -5.826 17.574 -22.371 1.00 0.00 C ATOM 773 CG LEU A 48 -6.554 18.324 -21.254 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.607 19.283 -20.551 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.759 19.072 -21.805 1.00 0.00 C ATOM 0 H LEU A 48 -6.304 15.299 -21.375 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.638 16.900 -23.306 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.933 17.110 -21.953 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.491 18.297 -23.114 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.909 17.594 -20.527 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.142 19.808 -19.760 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.777 18.724 -20.119 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.222 20.006 -21.270 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.262 19.598 -20.994 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.429 19.791 -22.555 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.450 18.363 -22.261 1.00 0.00 H new ATOM 787 N LYS A 49 -5.037 15.182 -24.363 1.00 0.00 N ATOM 788 CA LYS A 49 -4.347 14.761 -25.583 1.00 0.00 C ATOM 789 C LYS A 49 -5.265 13.953 -26.489 1.00 0.00 C ATOM 790 O LYS A 49 -5.205 14.076 -27.713 1.00 0.00 O ATOM 791 CB LYS A 49 -3.080 13.959 -25.275 1.00 0.00 C ATOM 792 CG LYS A 49 -1.957 14.798 -24.682 1.00 0.00 C ATOM 793 CD LYS A 49 -0.638 14.040 -24.663 1.00 0.00 C ATOM 794 CE LYS A 49 -0.659 12.881 -23.681 1.00 0.00 C ATOM 795 NZ LYS A 49 0.653 12.180 -23.618 1.00 0.00 N ATOM 0 H LYS A 49 -4.730 14.709 -23.513 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.054 15.672 -26.105 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.328 13.156 -24.581 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.726 13.489 -26.192 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.842 15.714 -25.262 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.221 15.094 -23.667 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.422 13.663 -25.663 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.169 14.724 -24.399 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.921 13.251 -22.689 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.435 12.173 -23.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.596 11.396 -22.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.892 11.805 -24.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.390 12.849 -23.315 1.00 0.00 H new ATOM 809 N ASN A 50 -6.112 13.123 -25.893 1.00 0.00 N ATOM 810 CA ASN A 50 -7.037 12.313 -26.674 1.00 0.00 C ATOM 811 C ASN A 50 -8.451 12.472 -26.147 1.00 0.00 C ATOM 812 O ASN A 50 -8.910 11.692 -25.308 1.00 0.00 O ATOM 813 CB ASN A 50 -6.647 10.842 -26.634 1.00 0.00 C ATOM 814 CG ASN A 50 -7.305 10.037 -27.741 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.512 10.126 -27.959 1.00 0.00 O ATOM 816 ND2 ASN A 50 -6.510 9.252 -28.455 1.00 0.00 N ATOM 0 H ASN A 50 -6.178 12.994 -24.883 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.991 12.660 -27.706 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.564 10.754 -26.719 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.926 10.421 -25.668 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.895 8.694 -29.217 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.513 9.206 -28.242 1.00 0.00 H new ATOM 823 N PRO A 51 -9.151 13.497 -26.637 1.00 0.00 N ATOM 824 CA PRO A 51 -10.525 13.787 -26.231 1.00 0.00 C ATOM 825 C PRO A 51 -11.486 12.652 -26.573 1.00 0.00 C ATOM 826 O PRO A 51 -12.501 12.462 -25.902 1.00 0.00 O ATOM 827 CB PRO A 51 -10.871 15.057 -27.018 1.00 0.00 C ATOM 828 CG PRO A 51 -9.548 15.638 -27.388 1.00 0.00 C ATOM 829 CD PRO A 51 -8.664 14.461 -27.635 1.00 0.00 C ATOM 0 HA PRO A 51 -10.615 13.908 -25.152 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.465 14.827 -27.903 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.455 15.752 -26.414 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.627 16.265 -28.276 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.155 16.266 -26.588 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.765 14.081 -28.652 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.611 14.703 -27.488 1.00 0.00 H new ATOM 837 N GLN A 52 -11.156 11.907 -27.626 1.00 0.00 N ATOM 838 CA GLN A 52 -11.981 10.788 -28.072 1.00 0.00 C ATOM 839 C GLN A 52 -12.048 9.712 -27.008 1.00 0.00 C ATOM 840 O GLN A 52 -13.116 9.171 -26.740 1.00 0.00 O ATOM 841 CB GLN A 52 -11.420 10.194 -29.365 1.00 0.00 C ATOM 842 CG GLN A 52 -11.582 11.099 -30.576 1.00 0.00 C ATOM 843 CD GLN A 52 -10.839 10.583 -31.794 1.00 0.00 C ATOM 844 OE1 GLN A 52 -9.813 9.915 -31.673 1.00 0.00 O ATOM 845 NE2 GLN A 52 -11.354 10.891 -32.977 1.00 0.00 N ATOM 0 H GLN A 52 -10.319 12.060 -28.188 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.987 11.165 -28.256 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.361 9.976 -29.225 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.917 9.244 -29.563 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.641 11.194 -30.815 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.220 12.097 -30.330 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.207 11.447 -33.033 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.897 10.571 -33.831 1.00 0.00 H new ATOM 854 N LEU A 53 -10.912 9.422 -26.382 1.00 0.00 N ATOM 855 CA LEU A 53 -10.875 8.400 -25.347 1.00 0.00 C ATOM 856 C LEU A 53 -11.610 8.886 -24.109 1.00 0.00 C ATOM 857 O LEU A 53 -12.279 8.109 -23.426 1.00 0.00 O ATOM 858 CB LEU A 53 -9.444 7.984 -25.021 1.00 0.00 C ATOM 859 CG LEU A 53 -8.739 7.234 -26.148 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.270 7.018 -25.813 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.428 5.907 -26.425 1.00 0.00 C ATOM 0 H LEU A 53 -10.017 9.874 -26.571 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.383 7.512 -25.723 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.866 8.875 -24.775 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.454 7.354 -24.131 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.797 7.842 -27.051 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.786 6.482 -26.629 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.783 7.983 -25.673 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.188 6.434 -24.896 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.909 5.389 -27.232 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.407 5.291 -25.526 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.463 6.088 -26.716 1.00 0.00 H new ATOM 873 N ALA A 54 -11.474 10.184 -23.819 1.00 0.00 N ATOM 874 CA ALA A 54 -12.151 10.783 -22.680 1.00 0.00 C ATOM 875 C ALA A 54 -13.656 10.704 -22.879 1.00 0.00 C ATOM 876 O ALA A 54 -14.402 10.414 -21.950 1.00 0.00 O ATOM 877 CB ALA A 54 -11.718 12.229 -22.496 1.00 0.00 C ATOM 0 H ALA A 54 -10.902 10.833 -24.359 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.879 10.231 -21.780 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.237 12.658 -21.639 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.642 12.268 -22.326 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.965 12.799 -23.392 1.00 0.00 H new ATOM 883 N GLU A 55 -14.084 10.976 -24.109 1.00 0.00 N ATOM 884 CA GLU A 55 -15.494 10.916 -24.480 1.00 0.00 C ATOM 885 C GLU A 55 -15.995 9.476 -24.427 1.00 0.00 C ATOM 886 O GLU A 55 -17.127 9.224 -24.017 1.00 0.00 O ATOM 887 CB GLU A 55 -15.717 11.503 -25.875 1.00 0.00 C ATOM 888 CG GLU A 55 -17.183 11.548 -26.290 1.00 0.00 C ATOM 889 CD GLU A 55 -17.389 12.164 -27.660 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.385 12.550 -28.297 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.553 12.261 -28.097 1.00 0.00 O ATOM 0 H GLU A 55 -13.465 11.243 -24.874 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.060 11.513 -23.764 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.308 12.513 -25.905 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.160 10.912 -26.602 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.587 10.536 -26.288 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.747 12.118 -25.552 1.00 0.00 H new ATOM 898 N GLU A 56 -15.146 8.537 -24.850 1.00 0.00 N ATOM 899 CA GLU A 56 -15.512 7.124 -24.854 1.00 0.00 C ATOM 900 C GLU A 56 -15.829 6.651 -23.435 1.00 0.00 C ATOM 901 O GLU A 56 -16.776 5.895 -23.225 1.00 0.00 O ATOM 902 CB GLU A 56 -14.381 6.267 -25.440 1.00 0.00 C ATOM 903 CG GLU A 56 -14.134 6.489 -26.928 1.00 0.00 C ATOM 904 CD GLU A 56 -13.116 5.524 -27.502 1.00 0.00 C ATOM 905 OE1 GLU A 56 -12.576 4.700 -26.735 1.00 0.00 O ATOM 906 OE2 GLU A 56 -12.858 5.593 -28.722 1.00 0.00 O ATOM 0 H GLU A 56 -14.205 8.731 -25.192 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.398 7.010 -25.478 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.461 6.478 -24.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.615 5.215 -25.275 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.075 6.382 -27.468 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.790 7.511 -27.087 1.00 0.00 H new ATOM 913 N ASP A 57 -15.035 7.099 -22.462 1.00 0.00 N ATOM 914 CA ASP A 57 -15.272 6.725 -21.068 1.00 0.00 C ATOM 915 C ASP A 57 -16.046 7.819 -20.328 1.00 0.00 C ATOM 916 O ASP A 57 -16.192 7.760 -19.107 1.00 0.00 O ATOM 917 CB ASP A 57 -13.961 6.385 -20.341 1.00 0.00 C ATOM 918 CG ASP A 57 -13.362 5.065 -20.783 1.00 0.00 C ATOM 919 OD1 ASP A 57 -14.068 4.281 -21.453 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.181 4.814 -20.458 1.00 0.00 O ATOM 0 H ASP A 57 -14.234 7.712 -22.610 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.885 5.824 -21.072 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.238 7.182 -20.516 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.146 6.352 -19.267 1.00 0.00 H new ATOM 925 N LYS A 58 -16.541 8.803 -21.089 1.00 0.00 N ATOM 926 CA LYS A 58 -17.335 9.917 -20.554 1.00 0.00 C ATOM 927 C LYS A 58 -16.671 10.592 -19.354 1.00 0.00 C ATOM 928 O LYS A 58 -17.288 10.772 -18.302 1.00 0.00 O ATOM 929 CB LYS A 58 -18.744 9.440 -20.189 1.00 0.00 C ATOM 930 CG LYS A 58 -19.549 8.970 -21.391 1.00 0.00 C ATOM 931 CD LYS A 58 -20.945 8.516 -20.987 1.00 0.00 C ATOM 932 CE LYS A 58 -21.734 8.008 -22.182 1.00 0.00 C ATOM 933 NZ LYS A 58 -21.950 9.073 -23.200 1.00 0.00 N ATOM 0 H LYS A 58 -16.401 8.849 -22.098 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.401 10.668 -21.342 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.669 8.625 -19.469 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.279 10.252 -19.697 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.625 9.779 -22.118 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.026 8.149 -21.881 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.870 7.728 -20.238 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.479 9.346 -20.524 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.203 7.172 -22.638 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.698 7.628 -21.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.655 8.752 -23.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.293 9.936 -22.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.053 9.276 -23.686 1.00 0.00 H new ATOM 947 N ILE A 59 -15.414 10.974 -19.525 1.00 0.00 N ATOM 948 CA ILE A 59 -14.665 11.627 -18.461 1.00 0.00 C ATOM 949 C ILE A 59 -14.888 13.137 -18.494 1.00 0.00 C ATOM 950 O ILE A 59 -14.383 13.834 -19.377 1.00 0.00 O ATOM 951 CB ILE A 59 -13.157 11.326 -18.591 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.922 9.814 -18.642 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.378 11.949 -17.440 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.425 9.078 -17.419 1.00 0.00 C ATOM 0 H ILE A 59 -14.891 10.843 -20.391 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.025 11.234 -17.510 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.797 11.768 -19.520 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.413 9.409 -19.527 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.855 9.625 -18.755 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.318 11.723 -17.554 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.521 13.030 -17.446 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.737 11.541 -16.495 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.224 8.012 -17.527 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.916 9.455 -16.532 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.499 9.236 -17.315 1.00 0.00 H new ATOM 966 N LEU A 60 -15.654 13.635 -17.527 1.00 0.00 N ATOM 967 CA LEU A 60 -15.949 15.063 -17.442 1.00 0.00 C ATOM 968 C LEU A 60 -15.207 15.722 -16.280 1.00 0.00 C ATOM 969 O LEU A 60 -15.355 16.920 -16.043 1.00 0.00 O ATOM 970 CB LEU A 60 -17.457 15.285 -17.286 1.00 0.00 C ATOM 971 CG LEU A 60 -18.320 14.734 -18.426 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.797 14.940 -18.124 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.949 15.395 -19.747 1.00 0.00 C ATOM 0 H LEU A 60 -16.081 13.072 -16.792 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.607 15.525 -18.368 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.781 14.825 -16.352 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.643 16.355 -17.196 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.131 13.664 -18.513 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.395 14.543 -18.944 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.056 14.420 -17.201 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.000 16.005 -18.010 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.573 14.990 -20.544 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.108 16.471 -19.673 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.901 15.197 -19.971 1.00 0.00 H new ATOM 985 N ALA A 61 -14.408 14.941 -15.558 1.00 0.00 N ATOM 986 CA ALA A 61 -13.659 15.462 -14.421 1.00 0.00 C ATOM 987 C ALA A 61 -12.281 14.822 -14.322 1.00 0.00 C ATOM 988 O ALA A 61 -12.097 13.665 -14.699 1.00 0.00 O ATOM 989 CB ALA A 61 -14.437 15.238 -13.130 1.00 0.00 C ATOM 0 H ALA A 61 -14.264 13.948 -15.740 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.521 16.532 -14.574 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.867 15.632 -12.289 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.397 15.751 -13.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.605 14.171 -12.987 1.00 0.00 H new ATOM 995 N THR A 62 -11.318 15.587 -13.814 1.00 0.00 N ATOM 996 CA THR A 62 -9.950 15.118 -13.649 1.00 0.00 C ATOM 997 C THR A 62 -9.311 15.766 -12.421 1.00 0.00 C ATOM 998 O THR A 62 -9.555 16.941 -12.139 1.00 0.00 O ATOM 999 CB THR A 62 -9.075 15.461 -14.876 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.179 16.859 -15.170 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.470 14.650 -16.103 1.00 0.00 C ATOM 0 H THR A 62 -11.467 16.548 -13.506 1.00 0.00 H new ATOM 0 HA THR A 62 -10.000 14.035 -13.533 1.00 0.00 H new ATOM 0 HB THR A 62 -8.045 15.207 -14.627 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.676 16.981 -16.006 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.829 14.923 -16.941 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.355 13.587 -15.889 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.509 14.858 -16.358 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.486 15.015 -11.677 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.212 13.609 -11.968 1.00 0.00 C ATOM 1011 C PRO A 63 -9.324 12.680 -11.477 1.00 0.00 C ATOM 1012 O PRO A 63 -10.013 12.975 -10.500 1.00 0.00 O ATOM 1013 CB PRO A 63 -6.914 13.348 -11.209 1.00 0.00 C ATOM 1014 CG PRO A 63 -6.955 14.281 -10.052 1.00 0.00 C ATOM 1015 CD PRO A 63 -7.731 15.493 -10.500 1.00 0.00 C ATOM 0 HA PRO A 63 -8.145 13.416 -13.039 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.851 12.311 -10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.044 13.536 -11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.433 13.811 -9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.947 14.559 -9.743 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.398 15.853 -9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.068 16.319 -10.759 1.00 0.00 H new ATOM 1023 N THR A 64 -9.485 11.560 -12.163 1.00 0.00 N ATOM 1024 CA THR A 64 -10.484 10.565 -11.791 1.00 0.00 C ATOM 1025 C THR A 64 -9.823 9.195 -11.683 1.00 0.00 C ATOM 1026 O THR A 64 -9.090 8.779 -12.581 1.00 0.00 O ATOM 1027 CB THR A 64 -11.660 10.495 -12.793 1.00 0.00 C ATOM 1028 OG1 THR A 64 -12.305 11.770 -12.876 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.685 9.448 -12.375 1.00 0.00 C ATOM 0 H THR A 64 -8.934 11.314 -12.986 1.00 0.00 H new ATOM 0 HA THR A 64 -10.898 10.867 -10.829 1.00 0.00 H new ATOM 0 HB THR A 64 -11.252 10.215 -13.764 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.106 12.182 -13.743 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.498 9.425 -13.101 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.208 8.469 -12.333 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.083 9.701 -11.392 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.083 8.507 -10.584 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.516 7.188 -10.341 1.00 0.00 C ATOM 1039 C LEU A 65 -10.579 6.114 -10.520 1.00 0.00 C ATOM 1040 O LEU A 65 -11.597 6.127 -9.838 1.00 0.00 O ATOM 1041 CB LEU A 65 -8.949 7.122 -8.918 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.360 5.769 -8.506 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.209 5.382 -9.421 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -7.896 5.811 -7.057 1.00 0.00 C ATOM 0 H LEU A 65 -10.690 8.844 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.715 7.013 -11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.174 7.882 -8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.742 7.382 -8.217 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.140 5.013 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.806 4.418 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.568 5.311 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.427 6.139 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.480 4.842 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.132 6.580 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.743 6.041 -6.410 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.353 5.190 -11.444 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.312 4.119 -11.674 1.00 0.00 C ATOM 1058 C ALA A 66 -10.615 2.783 -11.866 1.00 0.00 C ATOM 1059 O ALA A 66 -9.605 2.680 -12.562 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.199 4.420 -12.874 1.00 0.00 C ATOM 0 H ALA A 66 -9.525 5.160 -12.039 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.940 4.056 -10.785 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.904 3.602 -13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.748 5.345 -12.698 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.581 4.529 -13.765 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.172 1.764 -11.224 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.651 0.418 -11.319 1.00 0.00 C ATOM 1068 C LYS A 67 -11.392 -0.298 -12.428 1.00 0.00 C ATOM 1069 O LYS A 67 -12.540 -0.699 -12.247 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.866 -0.325 -9.995 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.108 -1.644 -9.881 1.00 0.00 C ATOM 1072 CD LYS A 67 -10.932 -2.706 -9.165 1.00 0.00 C ATOM 1073 CE LYS A 67 -10.622 -2.761 -7.678 1.00 0.00 C ATOM 1074 NZ LYS A 67 -9.161 -2.672 -7.414 1.00 0.00 N ATOM 0 H LYS A 67 -11.994 1.853 -10.627 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.582 0.447 -11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.564 0.326 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.931 -0.520 -9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.843 -1.999 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.175 -1.482 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.993 -2.498 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.735 -3.680 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.134 -1.944 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.011 -3.689 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.936 -3.179 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.639 -3.101 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.886 -1.674 -7.319 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.750 -0.457 -13.565 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.389 -1.122 -14.682 1.00 0.00 C ATOM 1090 C VAL A 68 -11.318 -2.632 -14.526 1.00 0.00 C ATOM 1091 O VAL A 68 -12.187 -3.356 -15.013 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.780 -0.691 -16.028 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.040 0.787 -16.274 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.289 -0.991 -16.078 1.00 0.00 C ATOM 0 H VAL A 68 -9.797 -0.139 -13.741 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.436 -0.820 -14.681 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.261 -1.267 -16.819 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.604 1.079 -17.229 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.115 0.969 -16.295 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.588 1.374 -15.474 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.886 -0.676 -17.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.782 -0.451 -15.278 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.129 -2.062 -15.951 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.287 -3.104 -13.833 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.126 -4.540 -13.619 1.00 0.00 C ATOM 1106 C LEU A 69 -9.715 -4.838 -12.180 1.00 0.00 C ATOM 1107 O LEU A 69 -8.872 -4.139 -11.620 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.077 -5.121 -14.578 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.402 -5.004 -16.072 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.207 -5.423 -16.913 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.616 -5.850 -16.426 1.00 0.00 C ATOM 0 H LEU A 69 -9.559 -2.524 -13.415 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.090 -5.009 -13.816 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.126 -4.622 -14.392 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.936 -6.175 -14.337 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.632 -3.961 -16.288 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.457 -5.333 -17.970 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.358 -4.779 -16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.948 -6.458 -16.688 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.829 -5.753 -17.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.413 -6.895 -16.191 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.477 -5.510 -15.851 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.292 -5.886 -11.559 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.317 -6.744 -12.170 1.00 0.00 C ATOM 1125 C PRO A 70 -12.713 -6.106 -12.132 1.00 0.00 C ATOM 1126 O PRO A 70 -13.021 -5.351 -11.211 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.296 -8.012 -11.294 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.160 -7.828 -10.336 1.00 0.00 C ATOM 1129 CD PRO A 70 -9.966 -6.347 -10.209 1.00 0.00 C ATOM 0 HA PRO A 70 -11.110 -6.929 -13.224 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.240 -8.136 -10.762 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.154 -8.905 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.388 -8.276 -9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.255 -8.310 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.625 -5.911 -9.458 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.945 -6.091 -9.925 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.565 -6.391 -13.140 1.00 0.00 N ATOM 1138 CA PRO A 71 -14.940 -5.869 -13.198 1.00 0.00 C ATOM 1139 C PRO A 71 -15.781 -6.343 -12.008 1.00 0.00 C ATOM 1140 O PRO A 71 -15.512 -7.408 -11.448 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.495 -6.453 -14.505 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.289 -6.786 -15.309 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.255 -7.224 -14.313 1.00 0.00 C ATOM 0 HA PRO A 71 -14.965 -4.780 -13.161 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.103 -7.338 -14.317 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.130 -5.734 -15.022 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.502 -7.577 -16.028 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.945 -5.922 -15.878 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.335 -8.287 -14.087 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.242 -7.050 -14.677 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.826 -5.587 -11.601 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.242 -4.313 -12.222 1.00 0.00 C ATOM 1153 C PRO A 72 -16.254 -3.169 -12.000 1.00 0.00 C ATOM 1154 O PRO A 72 -15.423 -3.214 -11.095 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.578 -3.990 -11.532 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.988 -5.254 -10.857 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.709 -5.938 -10.480 1.00 0.00 C ATOM 0 HA PRO A 72 -17.306 -4.416 -13.305 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.463 -3.179 -10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.327 -3.670 -12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.598 -5.049 -9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.586 -5.878 -11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.320 -5.578 -9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.837 -7.016 -10.385 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.361 -2.142 -12.839 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.490 -0.975 -12.749 1.00 0.00 C ATOM 1167 C VAL A 73 -15.851 -0.122 -11.530 1.00 0.00 C ATOM 1168 O VAL A 73 -17.006 0.275 -11.354 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.586 -0.112 -14.030 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.718 1.136 -13.922 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.203 -0.929 -15.255 1.00 0.00 C ATOM 0 H VAL A 73 -17.047 -2.095 -13.593 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.467 -1.335 -12.642 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.621 0.211 -14.140 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.807 1.721 -14.837 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.048 1.736 -13.074 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.678 0.844 -13.778 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.277 -0.305 -16.146 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.180 -1.288 -15.147 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.878 -1.779 -15.351 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.855 0.155 -10.694 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.055 0.958 -9.490 1.00 0.00 C ATOM 1183 C ARG A 74 -14.453 2.341 -9.659 1.00 0.00 C ATOM 1184 O ARG A 74 -13.246 2.485 -9.835 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.435 0.247 -8.279 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.373 1.096 -7.013 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.760 1.482 -6.520 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.544 0.317 -6.118 1.00 0.00 N ATOM 1189 CZ ARG A 74 -17.827 0.375 -5.770 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.463 1.539 -5.769 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.470 -0.731 -5.420 1.00 0.00 N ATOM 0 H ARG A 74 -13.896 -0.166 -10.828 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.126 1.074 -9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.010 -0.655 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.425 -0.072 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.850 0.545 -6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.793 1.998 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.667 2.165 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.288 2.019 -7.308 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.082 -0.592 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.969 2.391 -6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.447 1.583 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.981 -1.626 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.453 -0.686 -5.153 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.294 3.359 -9.589 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.825 4.723 -9.730 1.00 0.00 C ATOM 1207 C ARG A 75 -14.691 5.381 -8.366 1.00 0.00 C ATOM 1208 O ARG A 75 -15.637 5.413 -7.577 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.763 5.537 -10.614 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.797 5.066 -12.057 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.664 5.969 -12.913 1.00 0.00 C ATOM 1212 NE ARG A 75 -18.073 5.896 -12.537 1.00 0.00 N ATOM 1213 CZ ARG A 75 -19.017 6.680 -13.054 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.699 7.588 -13.969 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.276 6.554 -12.657 1.00 0.00 N ATOM 0 H ARG A 75 -16.298 3.266 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.845 4.694 -10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.771 5.490 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.457 6.583 -10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.784 5.045 -12.458 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.178 4.046 -12.100 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.317 6.998 -12.820 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.554 5.689 -13.961 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.350 5.206 -11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.731 7.685 -14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.422 8.188 -14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.522 5.856 -11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.998 7.155 -13.054 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.509 5.905 -8.101 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.227 6.571 -6.839 1.00 0.00 C ATOM 1231 C ILE A 76 -13.124 8.080 -7.064 1.00 0.00 C ATOM 1232 O ILE A 76 -12.239 8.550 -7.783 1.00 0.00 O ATOM 1233 CB ILE A 76 -11.921 6.045 -6.207 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.009 4.527 -6.017 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.650 6.733 -4.871 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.740 3.914 -5.485 1.00 0.00 C ATOM 0 H ILE A 76 -12.721 5.883 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.045 6.357 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.093 6.272 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.827 4.301 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.255 4.063 -6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.725 6.347 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.556 7.808 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.475 6.537 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.874 2.838 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.923 4.109 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.504 4.351 -4.515 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.030 8.835 -6.453 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.042 10.286 -6.605 1.00 0.00 C ATOM 1250 C ILE A 77 -13.862 10.976 -5.255 1.00 0.00 C ATOM 1251 O ILE A 77 -14.593 10.700 -4.304 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.350 10.779 -7.264 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.610 10.024 -8.571 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.293 12.278 -7.527 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.774 9.061 -8.494 1.00 0.00 C ATOM 0 H ILE A 77 -14.765 8.468 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.207 10.545 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.171 10.581 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.798 10.745 -9.366 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.711 9.473 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.225 12.602 -7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.154 12.808 -6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.460 12.499 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.898 8.563 -9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.580 8.316 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.684 9.609 -8.249 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.880 11.867 -5.178 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.616 12.585 -3.946 1.00 0.00 C ATOM 1269 C GLY A 78 -11.288 13.307 -3.995 1.00 0.00 C ATOM 1270 O GLY A 78 -10.711 13.476 -5.070 1.00 0.00 O ATOM 0 H GLY A 78 -12.259 12.105 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.415 13.304 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.620 11.886 -3.109 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.796 13.736 -2.837 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.517 14.433 -2.773 1.00 0.00 C ATOM 1276 C ASP A 79 -8.384 13.413 -2.756 1.00 0.00 C ATOM 1277 O ASP A 79 -8.067 12.840 -1.715 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.445 15.320 -1.525 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.173 16.146 -1.464 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.478 16.250 -2.499 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.870 16.685 -0.382 1.00 0.00 O ATOM 0 H ASP A 79 -11.260 13.614 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.419 15.072 -3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.307 15.987 -1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.509 14.694 -0.635 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.768 13.206 -3.914 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.688 12.235 -4.039 1.00 0.00 C ATOM 1288 C LEU A 80 -5.326 12.848 -3.722 1.00 0.00 C ATOM 1289 O LEU A 80 -4.309 12.157 -3.756 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.668 11.640 -5.451 1.00 0.00 C ATOM 1291 CG LEU A 80 -7.935 10.888 -5.869 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.834 10.450 -7.322 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.168 9.684 -4.967 1.00 0.00 C ATOM 0 H LEU A 80 -7.997 13.697 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.878 11.447 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.494 12.446 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.821 10.959 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.785 11.563 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.742 9.917 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.714 11.327 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.973 9.792 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.073 9.164 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.317 9.007 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.281 10.018 -3.936 1.00 0.00 H new ATOM 1305 N SER A 81 -5.303 14.146 -3.435 1.00 0.00 N ATOM 1306 CA SER A 81 -4.053 14.826 -3.095 1.00 0.00 C ATOM 1307 C SER A 81 -3.538 14.341 -1.740 1.00 0.00 C ATOM 1308 O SER A 81 -2.360 14.490 -1.414 1.00 0.00 O ATOM 1309 CB SER A 81 -4.256 16.343 -3.074 1.00 0.00 C ATOM 1310 OG SER A 81 -4.653 16.822 -4.349 1.00 0.00 O ATOM 0 H SER A 81 -6.128 14.746 -3.430 1.00 0.00 H new ATOM 0 HA SER A 81 -3.311 14.587 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.012 16.602 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.331 16.833 -2.770 1.00 0.00 H new ATOM 0 HG SER A 81 -4.778 17.793 -4.309 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.445 13.783 -0.947 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.109 13.244 0.364 1.00 0.00 C ATOM 1318 C ASN A 82 -3.673 11.787 0.221 1.00 0.00 C ATOM 1319 O ASN A 82 -4.439 10.949 -0.262 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.309 13.366 1.301 1.00 0.00 C ATOM 1321 CG ASN A 82 -5.035 12.806 2.683 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -5.372 11.662 2.975 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -4.423 13.611 3.541 1.00 0.00 N ATOM 0 H ASN A 82 -5.430 13.692 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.284 13.813 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.591 14.415 1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.160 12.843 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.215 13.286 4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.160 14.555 3.257 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.442 11.495 0.639 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.890 10.142 0.517 1.00 0.00 C ATOM 1332 C ARG A 83 -2.713 9.110 1.287 1.00 0.00 C ATOM 1333 O ARG A 83 -2.874 7.983 0.821 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.426 10.102 0.971 1.00 0.00 C ATOM 1335 CG ARG A 83 0.537 10.800 0.022 1.00 0.00 C ATOM 1336 CD ARG A 83 1.091 12.080 0.628 1.00 0.00 C ATOM 1337 NE ARG A 83 0.266 13.239 0.294 1.00 0.00 N ATOM 1338 CZ ARG A 83 0.396 14.430 0.867 1.00 0.00 C ATOM 1339 NH1 ARG A 83 1.311 14.622 1.809 1.00 0.00 N ATOM 1340 NH2 ARG A 83 -0.391 15.431 0.494 1.00 0.00 N ATOM 0 H ARG A 83 -1.809 12.172 1.064 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.938 9.877 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.349 10.565 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.120 9.062 1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.359 10.127 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.025 11.031 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.148 11.974 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.108 12.242 0.269 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.452 13.127 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.917 13.853 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.408 15.538 2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.093 15.285 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.294 16.347 0.932 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.226 9.482 2.455 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.032 8.558 3.251 1.00 0.00 C ATOM 1356 C GLU A 84 -5.292 8.106 2.518 1.00 0.00 C ATOM 1357 O GLU A 84 -5.615 6.925 2.550 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.399 9.180 4.596 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.228 9.247 5.559 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.527 10.070 6.798 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.507 10.842 6.777 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -2.776 9.942 7.788 1.00 0.00 O ATOM 0 H GLU A 84 -3.101 10.406 2.870 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.419 7.673 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.785 10.186 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.203 8.601 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.953 8.236 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.366 9.673 5.046 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.002 9.018 1.852 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.208 8.614 1.122 1.00 0.00 C ATOM 1371 C LYS A 85 -6.855 7.670 -0.022 1.00 0.00 C ATOM 1372 O LYS A 85 -7.563 6.692 -0.261 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.000 9.807 0.589 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.714 10.623 1.650 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.489 11.765 1.011 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.145 12.653 2.057 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.145 11.907 2.872 1.00 0.00 N ATOM 0 H LYS A 85 -5.775 10.011 1.801 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.845 8.094 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.320 10.462 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.737 9.445 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.394 9.984 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.989 11.020 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.816 12.363 0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.252 11.360 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.379 13.068 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.633 13.494 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.676 12.575 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.803 11.406 2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.655 11.219 3.478 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.766 7.961 -0.726 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.322 7.103 -1.818 1.00 0.00 C ATOM 1393 C VAL A 86 -4.939 5.721 -1.283 1.00 0.00 C ATOM 1394 O VAL A 86 -5.286 4.698 -1.871 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.137 7.731 -2.595 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.561 6.745 -3.601 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.595 8.999 -3.298 1.00 0.00 C ATOM 0 H VAL A 86 -5.178 8.778 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.152 6.997 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.351 7.982 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.731 7.211 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.205 5.858 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.334 6.459 -4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.758 9.436 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.396 8.758 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.960 9.713 -2.560 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.236 5.705 -0.151 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.807 4.460 0.484 1.00 0.00 C ATOM 1409 C LEU A 87 -4.983 3.680 1.067 1.00 0.00 C ATOM 1410 O LEU A 87 -5.117 2.485 0.817 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.804 4.756 1.600 1.00 0.00 C ATOM 1412 CG LEU A 87 -1.415 4.149 1.427 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -0.461 4.729 2.460 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.480 2.629 1.542 1.00 0.00 C ATOM 0 H LEU A 87 -3.950 6.547 0.348 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.341 3.850 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.698 5.837 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.221 4.398 2.541 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.042 4.398 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.528 4.290 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.398 5.810 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.828 4.504 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.481 2.212 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.867 2.355 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.138 2.233 0.769 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.827 4.355 1.838 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.976 3.710 2.468 1.00 0.00 C ATOM 1428 C ILE A 88 -7.948 3.140 1.433 1.00 0.00 C ATOM 1429 O ILE A 88 -8.370 1.987 1.545 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.703 4.690 3.415 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.813 4.967 4.632 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.056 4.134 3.849 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.253 6.152 5.460 1.00 0.00 C ATOM 0 H ILE A 88 -5.738 5.350 2.043 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.597 2.874 3.056 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.891 5.623 2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.796 4.080 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.791 5.135 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.545 4.845 4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.681 3.970 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.910 3.189 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.572 6.281 6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.242 7.051 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.263 5.980 5.833 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.290 3.938 0.422 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.203 3.485 -0.624 1.00 0.00 C ATOM 1447 C ALA A 89 -8.611 2.316 -1.408 1.00 0.00 C ATOM 1448 O ALA A 89 -9.310 1.353 -1.724 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.569 4.629 -1.555 1.00 0.00 C ATOM 0 H ALA A 89 -7.951 4.893 0.306 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.114 3.134 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.250 4.267 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.054 5.421 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.666 5.020 -2.023 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.317 2.404 -1.714 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.629 1.350 -2.455 1.00 0.00 C ATOM 1457 C LEU A 90 -6.530 0.071 -1.619 1.00 0.00 C ATOM 1458 O LEU A 90 -6.707 -1.033 -2.138 1.00 0.00 O ATOM 1459 CB LEU A 90 -5.233 1.813 -2.893 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.450 0.803 -3.724 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -5.194 0.493 -5.013 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -3.061 1.338 -4.018 1.00 0.00 C ATOM 0 H LEU A 90 -6.725 3.195 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.214 1.131 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.336 2.733 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.652 2.057 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.350 -0.123 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.624 -0.229 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.173 0.077 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.319 1.409 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.509 0.610 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.141 2.273 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.534 1.516 -3.081 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.248 0.231 -0.324 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.128 -0.902 0.595 1.00 0.00 C ATOM 1476 C ARG A 91 -7.452 -1.656 0.703 1.00 0.00 C ATOM 1477 O ARG A 91 -7.475 -2.890 0.686 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.683 -0.417 1.978 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.440 -1.540 2.976 1.00 0.00 C ATOM 1480 CD ARG A 91 -4.988 -1.000 4.326 1.00 0.00 C ATOM 1481 NE ARG A 91 -3.693 -0.327 4.244 1.00 0.00 N ATOM 1482 CZ ARG A 91 -2.522 -0.961 4.287 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -2.482 -2.280 4.422 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -1.391 -0.272 4.198 1.00 0.00 N ATOM 0 H ARG A 91 -6.098 1.140 0.113 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.376 -1.584 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.768 0.165 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.443 0.254 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.354 -2.120 3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.684 -2.220 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.735 -0.303 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.925 -1.820 5.041 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.685 0.688 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.349 -2.812 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.584 -2.762 4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.419 0.743 4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.494 -0.757 4.231 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.552 -0.914 0.819 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.878 -1.523 0.911 1.00 0.00 C ATOM 1500 C LEU A 92 -10.203 -2.305 -0.361 1.00 0.00 C ATOM 1501 O LEU A 92 -10.801 -3.381 -0.299 1.00 0.00 O ATOM 1502 CB LEU A 92 -10.947 -0.456 1.168 1.00 0.00 C ATOM 1503 CG LEU A 92 -10.902 0.190 2.556 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -11.851 1.377 2.621 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -11.248 -0.830 3.632 1.00 0.00 C ATOM 0 H LEU A 92 -8.552 0.105 0.851 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.874 -2.217 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.844 0.327 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.929 -0.907 1.026 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.889 0.548 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.807 1.824 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.559 2.117 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.868 1.041 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.211 -0.353 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.251 -1.219 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.530 -1.650 3.600 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.807 -1.759 -1.510 1.00 0.00 N ATOM 1518 CA LEU A 93 -10.043 -2.421 -2.790 1.00 0.00 C ATOM 1519 C LEU A 93 -9.255 -3.728 -2.875 1.00 0.00 C ATOM 1520 O LEU A 93 -9.755 -4.736 -3.379 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.637 -1.517 -3.954 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.518 -0.290 -4.175 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.900 0.610 -5.230 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.925 -0.705 -4.579 1.00 0.00 C ATOM 0 H LEU A 93 -9.323 -0.864 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.110 -2.636 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.613 -1.182 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.636 -2.111 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.586 0.265 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.535 1.483 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.913 0.933 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.808 0.062 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.537 0.184 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.883 -1.280 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.364 -1.317 -3.791 1.00 0.00 H new ATOM 1536 N ALA A 94 -8.019 -3.692 -2.377 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.135 -4.857 -2.398 1.00 0.00 C ATOM 1538 C ALA A 94 -7.693 -6.005 -1.574 1.00 0.00 C ATOM 1539 O ALA A 94 -7.562 -7.168 -1.955 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.740 -4.483 -1.927 1.00 0.00 C ATOM 0 H ALA A 94 -7.605 -2.862 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.071 -5.199 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.099 -5.365 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.327 -3.717 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.791 -4.099 -0.908 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.303 -5.680 -0.440 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.891 -6.690 0.427 1.00 0.00 C ATOM 1548 C GLU A 95 -9.998 -7.435 -0.313 1.00 0.00 C ATOM 1549 O GLU A 95 -10.159 -8.647 -0.157 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.447 -6.036 1.692 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.371 -5.518 2.635 1.00 0.00 C ATOM 1552 CD GLU A 95 -8.936 -4.697 3.778 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -10.109 -4.279 3.689 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.204 -4.473 4.764 1.00 0.00 O ATOM 0 H GLU A 95 -8.403 -4.723 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.119 -7.404 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.097 -5.209 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.066 -6.760 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.813 -6.362 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.663 -4.910 2.072 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.758 -6.690 -1.111 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.842 -7.260 -1.904 1.00 0.00 C ATOM 1563 C GLU A 96 -11.293 -8.266 -2.914 1.00 0.00 C ATOM 1564 O GLU A 96 -11.875 -9.330 -3.131 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.587 -6.141 -2.641 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.398 -5.234 -1.725 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.460 -5.982 -0.942 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -15.225 -6.748 -1.563 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.525 -5.800 0.291 1.00 0.00 O ATOM 0 H GLU A 96 -10.641 -5.683 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.531 -7.776 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.864 -5.536 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.254 -6.586 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.725 -4.734 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.874 -4.456 -2.322 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.164 -7.913 -3.523 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.512 -8.762 -4.515 1.00 0.00 C ATOM 1578 C ILE A 97 -8.915 -10.006 -3.860 1.00 0.00 C ATOM 1579 O ILE A 97 -9.048 -11.113 -4.378 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.417 -7.975 -5.261 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -9.060 -6.782 -5.958 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.689 -8.859 -6.275 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -8.065 -5.811 -6.525 1.00 0.00 C ATOM 0 H ILE A 97 -9.678 -7.035 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.266 -9.082 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.675 -7.629 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.701 -7.143 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.702 -6.260 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.923 -8.274 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.222 -9.697 -5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.403 -9.237 -7.007 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.593 -4.988 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.439 -5.421 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.439 -6.318 -7.259 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.259 -9.808 -2.717 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.653 -10.915 -1.989 1.00 0.00 C ATOM 1597 C GLY A 98 -8.672 -11.937 -1.517 1.00 0.00 C ATOM 1598 O GLY A 98 -8.389 -13.133 -1.480 1.00 0.00 O ATOM 0 H GLY A 98 -8.136 -8.895 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.921 -11.407 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.111 -10.524 -1.128 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.854 -11.453 -1.137 1.00 0.00 N ATOM 1603 CA ASP A 99 -10.937 -12.316 -0.664 1.00 0.00 C ATOM 1604 C ASP A 99 -11.387 -13.296 -1.747 1.00 0.00 C ATOM 1605 O ASP A 99 -11.682 -14.457 -1.463 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.127 -11.471 -0.204 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.222 -12.307 0.428 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -12.978 -12.888 1.506 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.325 -12.377 -0.154 1.00 0.00 O ATOM 0 H ASP A 99 -10.087 -10.460 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.555 -12.893 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.784 -10.726 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.535 -10.929 -1.057 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.452 -12.819 -2.986 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.875 -13.650 -4.103 1.00 0.00 C ATOM 1616 C TYR A 100 -10.699 -14.448 -4.653 1.00 0.00 C ATOM 1617 O TYR A 100 -9.725 -13.886 -5.154 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.488 -12.780 -5.206 1.00 0.00 C ATOM 1619 CG TYR A 100 -12.950 -13.561 -6.419 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -14.121 -14.309 -6.384 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -12.217 -13.546 -7.599 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.545 -15.022 -7.488 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -12.637 -14.256 -8.709 1.00 0.00 C ATOM 1624 CZ TYR A 100 -13.800 -14.991 -8.648 1.00 0.00 C ATOM 1625 OH TYR A 100 -14.220 -15.700 -9.750 1.00 0.00 O ATOM 0 H TYR A 100 -11.216 -11.860 -3.240 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.630 -14.351 -3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.336 -12.233 -4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -11.753 -12.039 -5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.709 -14.333 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -11.304 -12.971 -7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.456 -15.601 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -12.056 -14.234 -9.619 1.00 0.00 H new ATOM 0 HH TYR A 100 -13.584 -15.571 -10.484 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.803 -15.764 -4.566 1.00 0.00 N ATOM 1636 CA LYS A 101 -9.753 -16.646 -5.058 1.00 0.00 C ATOM 1637 C LYS A 101 -10.223 -17.409 -6.293 1.00 0.00 C ATOM 1638 O LYS A 101 -11.353 -17.896 -6.339 1.00 0.00 O ATOM 1639 CB LYS A 101 -9.329 -17.634 -3.966 1.00 0.00 C ATOM 1640 CG LYS A 101 -8.695 -16.971 -2.754 1.00 0.00 C ATOM 1641 CD LYS A 101 -8.292 -17.997 -1.705 1.00 0.00 C ATOM 1642 CE LYS A 101 -7.659 -17.333 -0.493 1.00 0.00 C ATOM 1643 NZ LYS A 101 -7.268 -18.328 0.544 1.00 0.00 N ATOM 0 H LYS A 101 -11.604 -16.247 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.896 -16.031 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.202 -18.202 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.623 -18.348 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.818 -16.404 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.397 -16.260 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.169 -18.565 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.590 -18.708 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.780 -16.770 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.360 -16.617 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.840 -17.835 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.111 -18.848 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.580 -18.996 0.142 1.00 0.00 H new ATOM 1657 N ASP A 102 -9.347 -17.505 -7.289 1.00 0.00 N ATOM 1658 CA ASP A 102 -9.661 -18.206 -8.532 1.00 0.00 C ATOM 1659 C ASP A 102 -8.386 -18.525 -9.305 1.00 0.00 C ATOM 1660 O ASP A 102 -8.156 -19.664 -9.705 1.00 0.00 O ATOM 1661 CB ASP A 102 -10.603 -17.366 -9.404 1.00 0.00 C ATOM 1662 CG ASP A 102 -10.848 -17.988 -10.765 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -11.532 -19.030 -10.827 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -10.354 -17.431 -11.768 1.00 0.00 O ATOM 0 H ASP A 102 -8.409 -17.104 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.160 -19.140 -8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.555 -17.242 -8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.180 -16.370 -9.535 1.00 0.00 H new ATOM 1669 N ASP A 103 -7.559 -17.506 -9.507 1.00 0.00 N ATOM 1670 CA ASP A 103 -6.304 -17.669 -10.233 1.00 0.00 C ATOM 1671 C ASP A 103 -5.177 -18.056 -9.279 1.00 0.00 C ATOM 1672 O ASP A 103 -4.695 -17.226 -8.508 1.00 0.00 O ATOM 1673 CB ASP A 103 -5.944 -16.375 -10.969 1.00 0.00 C ATOM 1674 CG ASP A 103 -4.692 -16.506 -11.817 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -4.278 -17.652 -12.103 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -4.121 -15.460 -12.194 1.00 0.00 O ATOM 0 H ASP A 103 -7.735 -16.557 -9.178 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.433 -18.468 -10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.779 -16.081 -11.605 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.802 -15.576 -10.241 1.00 0.00 H new ATOM 1681 N ASP A 104 -4.772 -19.322 -9.334 1.00 0.00 N ATOM 1682 CA ASP A 104 -3.696 -19.829 -8.480 1.00 0.00 C ATOM 1683 C ASP A 104 -2.353 -19.196 -8.850 1.00 0.00 C ATOM 1684 O ASP A 104 -1.480 -19.039 -7.998 1.00 0.00 O ATOM 1685 CB ASP A 104 -3.606 -21.354 -8.584 1.00 0.00 C ATOM 1686 CG ASP A 104 -2.713 -21.958 -7.520 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -2.991 -21.746 -6.323 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -1.741 -22.650 -7.887 1.00 0.00 O ATOM 0 H ASP A 104 -5.172 -20.019 -9.962 1.00 0.00 H new ATOM 0 HA ASP A 104 -3.929 -19.557 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -4.606 -21.780 -8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.226 -21.626 -9.569 1.00 0.00 H new ATOM 1693 N ASP A 105 -2.209 -18.837 -10.132 1.00 0.00 N ATOM 1694 CA ASP A 105 -0.987 -18.208 -10.653 1.00 0.00 C ATOM 1695 C ASP A 105 0.254 -19.069 -10.392 1.00 0.00 C ATOM 1696 O ASP A 105 1.284 -18.570 -9.942 1.00 0.00 O ATOM 1697 CB ASP A 105 -0.796 -16.814 -10.043 1.00 0.00 C ATOM 1698 CG ASP A 105 0.133 -15.940 -10.862 1.00 0.00 C ATOM 1699 OD1 ASP A 105 0.310 -16.227 -12.066 1.00 0.00 O ATOM 1700 OD2 ASP A 105 0.678 -14.967 -10.302 1.00 0.00 O ATOM 0 H ASP A 105 -2.934 -18.974 -10.836 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.107 -18.114 -11.732 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.766 -16.324 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -0.397 -16.915 -9.034 1.00 0.00 H new ATOM 1705 N LYS A 106 0.148 -20.360 -10.681 1.00 0.00 N ATOM 1706 CA LYS A 106 1.262 -21.283 -10.484 1.00 0.00 C ATOM 1707 C LYS A 106 1.348 -22.274 -11.641 1.00 0.00 C ATOM 1708 O LYS A 106 2.419 -22.892 -11.813 1.00 0.00 O ATOM 1709 CB LYS A 106 1.110 -22.040 -9.161 1.00 0.00 C ATOM 1710 CG LYS A 106 1.719 -21.320 -7.967 1.00 0.00 C ATOM 1711 CD LYS A 106 3.211 -21.591 -7.851 1.00 0.00 C ATOM 1712 CE LYS A 106 3.828 -20.828 -6.691 1.00 0.00 C ATOM 1713 NZ LYS A 106 3.241 -21.232 -5.383 1.00 0.00 N ATOM 1714 OXT LYS A 106 0.340 -22.421 -12.364 1.00 0.00 O ATOM 0 H LYS A 106 -0.697 -20.793 -11.053 1.00 0.00 H new ATOM 0 HA LYS A 106 2.182 -20.699 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.050 -22.209 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.576 -23.020 -9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.550 -20.248 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.218 -21.641 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.378 -22.659 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.707 -21.307 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.904 -21.001 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 106 3.679 -19.759 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.799 -20.818 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.260 -20.891 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.253 -22.269 -5.303 1.00 0.00 H new TER 1728 LYS A 106