USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 6 LYS NZ :NH3+ 161:sc= 0.564 (180deg=-0.0196) USER MOD Set 1.2: A 100 THR OG1 : rot -77:sc= 0.797 USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.0416 USER MOD Set 2.2: A 90 THR OG1 : rot -64:sc= 0.0819 USER MOD Set 3.1: A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 4 MET CE :methyl 177:sc= -1.45 (180deg=-1.55) USER MOD Single : A 11 LYS NZ :NH3+ -125:sc= -0.0472 (180deg=-1.68!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -17:sc= 0.765 USER MOD Single : A 20 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.59) USER MOD Single : A 24 MET CE :methyl -157:sc= -0.0844 (180deg=-0.47) USER MOD Single : A 29 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.02) USER MOD Single : A 31 TYR OH : rot 154:sc= 0.0222 USER MOD Single : A 36 CYS SG : rot -29:sc= 0.0436 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 45 GLN : amide:sc= -0.221 K(o=-0.22,f=-4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -150:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= -1.7 (180deg=-3.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.194 F(o=-2.3!,f=-0.19) USER MOD Single : A 79 TYR OH : rot -129:sc= 0.12 USER MOD Single : A 82 SER OG : rot -85:sc= 0.315 USER MOD Single : A 83 SER OG : rot -28:sc= 0.0167 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.783 F(o=-1.3!,f=-0.78) USER MOD Single : A 92 LYS NZ :NH3+ -139:sc= -0.02 (180deg=-1.71!) USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= -1.21 (180deg=-1.22) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= -0.0972 (180deg=-0.551) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 9.199 12.945 -7.382 1.00 0.00 N ATOM 21 CA GLY A 2 10.653 13.020 -7.377 1.00 0.00 C ATOM 22 C GLY A 2 11.298 11.882 -6.595 1.00 0.00 C ATOM 23 O GLY A 2 10.586 11.057 -6.018 1.00 0.00 O ATOM 0 HA2 GLY A 2 11.017 13.002 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.962 13.972 -6.946 1.00 0.00 H new ATOM 27 N PRO A 3 12.658 11.808 -6.548 1.00 0.00 N ATOM 28 CA PRO A 3 13.362 10.759 -5.819 1.00 0.00 C ATOM 29 C PRO A 3 13.444 11.060 -4.323 1.00 0.00 C ATOM 30 O PRO A 3 14.208 11.927 -3.887 1.00 0.00 O ATOM 31 CB PRO A 3 14.759 10.734 -6.454 1.00 0.00 C ATOM 32 CG PRO A 3 14.869 11.942 -7.329 1.00 0.00 C ATOM 33 CD PRO A 3 13.603 12.737 -7.187 1.00 0.00 C ATOM 0 HA PRO A 3 12.849 9.800 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.531 10.744 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.901 9.823 -7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 3 15.731 12.544 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.019 11.647 -8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.759 13.627 -6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.235 13.075 -8.156 1.00 0.00 H new ATOM 41 N MET A 4 12.634 10.340 -3.546 1.00 0.00 N ATOM 42 CA MET A 4 12.581 10.511 -2.094 1.00 0.00 C ATOM 43 C MET A 4 13.023 9.218 -1.383 1.00 0.00 C ATOM 44 O MET A 4 13.101 8.173 -2.033 1.00 0.00 O ATOM 45 CB MET A 4 11.152 10.881 -1.672 1.00 0.00 C ATOM 46 CG MET A 4 10.593 12.117 -2.362 1.00 0.00 C ATOM 47 SD MET A 4 9.055 12.700 -1.616 1.00 0.00 S ATOM 48 CE MET A 4 8.053 11.215 -1.661 1.00 0.00 C ATOM 0 H MET A 4 11.999 9.626 -3.903 1.00 0.00 H new ATOM 0 HA MET A 4 13.262 11.312 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.495 10.036 -1.878 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.135 11.042 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.335 12.915 -2.325 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.419 11.892 -3.414 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.092 11.410 -1.184 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.890 10.917 -2.697 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.566 10.414 -1.130 1.00 0.00 H new ATOM 58 N PRO A 5 13.321 9.253 -0.038 1.00 0.00 N ATOM 59 CA PRO A 5 13.748 8.052 0.712 1.00 0.00 C ATOM 60 C PRO A 5 12.757 6.894 0.579 1.00 0.00 C ATOM 61 O PRO A 5 11.568 7.109 0.329 1.00 0.00 O ATOM 62 CB PRO A 5 13.804 8.531 2.164 1.00 0.00 C ATOM 63 CG PRO A 5 14.026 9.997 2.071 1.00 0.00 C ATOM 64 CD PRO A 5 13.275 10.443 0.851 1.00 0.00 C ATOM 0 HA PRO A 5 14.696 7.664 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.878 8.304 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.610 8.043 2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.661 10.506 2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.088 10.228 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.250 10.725 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.744 11.310 0.386 1.00 0.00 H new ATOM 72 N LYS A 6 13.263 5.669 0.735 1.00 0.00 N ATOM 73 CA LYS A 6 12.441 4.472 0.617 1.00 0.00 C ATOM 74 C LYS A 6 11.535 4.274 1.832 1.00 0.00 C ATOM 75 O LYS A 6 11.625 4.997 2.827 1.00 0.00 O ATOM 76 CB LYS A 6 13.321 3.239 0.391 1.00 0.00 C ATOM 77 CG LYS A 6 14.093 3.289 -0.925 1.00 0.00 C ATOM 78 CD LYS A 6 14.893 2.017 -1.186 1.00 0.00 C ATOM 79 CE LYS A 6 14.004 0.832 -1.548 1.00 0.00 C ATOM 80 NZ LYS A 6 13.273 1.048 -2.827 1.00 0.00 N ATOM 0 H LYS A 6 14.244 5.484 0.944 1.00 0.00 H new ATOM 0 HA LYS A 6 11.792 4.606 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.027 3.147 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.696 2.346 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.394 3.449 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.770 4.143 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.601 2.196 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.478 1.771 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.615 -0.067 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.286 0.660 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.946 0.133 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.453 1.666 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.908 1.496 -3.518 1.00 0.00 H new ATOM 94 N LEU A 7 10.646 3.296 1.705 1.00 0.00 N ATOM 95 CA LEU A 7 9.667 2.959 2.730 1.00 0.00 C ATOM 96 C LEU A 7 9.733 1.462 3.054 1.00 0.00 C ATOM 97 O LEU A 7 9.493 1.050 4.192 1.00 0.00 O ATOM 98 CB LEU A 7 8.280 3.374 2.198 1.00 0.00 C ATOM 99 CG LEU A 7 7.048 2.716 2.826 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.651 3.405 4.124 1.00 0.00 C ATOM 101 CD2 LEU A 7 5.909 2.734 1.820 1.00 0.00 C ATOM 0 H LEU A 7 10.585 2.707 0.875 1.00 0.00 H new ATOM 0 HA LEU A 7 9.872 3.488 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.183 4.453 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.258 3.172 1.127 1.00 0.00 H new ATOM 0 HG LEU A 7 7.286 1.683 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.773 2.913 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.475 3.345 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.420 4.451 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.028 2.267 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.677 3.765 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.204 2.183 0.927 1.00 0.00 H new ATOM 113 N ALA A 8 10.074 0.661 2.038 1.00 0.00 N ATOM 114 CA ALA A 8 10.190 -0.790 2.186 1.00 0.00 C ATOM 115 C ALA A 8 11.393 -1.317 1.402 1.00 0.00 C ATOM 116 O ALA A 8 12.146 -0.533 0.822 1.00 0.00 O ATOM 117 CB ALA A 8 8.908 -1.469 1.722 1.00 0.00 C ATOM 0 H ALA A 8 10.276 1.000 1.097 1.00 0.00 H new ATOM 0 HA ALA A 8 10.344 -1.021 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.006 -2.549 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.071 -1.115 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.729 -1.230 0.674 1.00 0.00 H new ATOM 123 N ASP A 9 11.573 -2.643 1.390 1.00 0.00 N ATOM 124 CA ASP A 9 12.692 -3.260 0.675 1.00 0.00 C ATOM 125 C ASP A 9 12.214 -4.314 -0.330 1.00 0.00 C ATOM 126 O ASP A 9 12.716 -4.373 -1.456 1.00 0.00 O ATOM 127 CB ASP A 9 13.702 -3.862 1.666 1.00 0.00 C ATOM 128 CG ASP A 9 13.063 -4.739 2.731 1.00 0.00 C ATOM 129 OD1 ASP A 9 12.583 -5.841 2.395 1.00 0.00 O ATOM 130 OD2 ASP A 9 13.046 -4.319 3.908 1.00 0.00 O ATOM 0 H ASP A 9 10.960 -3.305 1.866 1.00 0.00 H new ATOM 0 HA ASP A 9 13.192 -2.476 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.433 -4.451 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.247 -3.053 2.153 1.00 0.00 H new ATOM 135 N ARG A 10 11.242 -5.136 0.078 1.00 0.00 N ATOM 136 CA ARG A 10 10.693 -6.184 -0.785 1.00 0.00 C ATOM 137 C ARG A 10 9.170 -6.209 -0.721 1.00 0.00 C ATOM 138 O ARG A 10 8.572 -5.725 0.246 1.00 0.00 O ATOM 139 CB ARG A 10 11.249 -7.546 -0.413 1.00 0.00 C ATOM 140 CG ARG A 10 12.705 -7.714 -0.782 1.00 0.00 C ATOM 141 CD ARG A 10 13.153 -9.120 -0.496 1.00 0.00 C ATOM 142 NE ARG A 10 14.601 -9.304 -0.653 1.00 0.00 N ATOM 143 CZ ARG A 10 15.530 -8.814 0.180 1.00 0.00 C ATOM 144 NH1 ARG A 10 15.185 -8.135 1.272 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.815 -9.020 -0.078 1.00 0.00 N ATOM 0 H ARG A 10 10.818 -5.094 1.005 1.00 0.00 H new ATOM 0 HA ARG A 10 10.993 -5.953 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.133 -7.698 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.663 -8.319 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.849 -7.486 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.315 -7.008 -0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.867 -9.387 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.631 -9.805 -1.164 1.00 0.00 H new ATOM 0 HE ARG A 10 14.924 -9.845 -1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.200 -7.980 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.906 -7.770 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.091 -9.548 -0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.527 -8.650 0.551 1.00 0.00 H new ATOM 159 N LYS A 11 8.549 -6.765 -1.764 1.00 0.00 N ATOM 160 CA LYS A 11 7.095 -6.845 -1.848 1.00 0.00 C ATOM 161 C LYS A 11 6.635 -8.202 -2.379 1.00 0.00 C ATOM 162 O LYS A 11 7.427 -8.962 -2.947 1.00 0.00 O ATOM 163 CB LYS A 11 6.584 -5.726 -2.756 1.00 0.00 C ATOM 164 CG LYS A 11 7.213 -5.739 -4.142 1.00 0.00 C ATOM 165 CD LYS A 11 7.016 -4.419 -4.857 1.00 0.00 C ATOM 166 CE LYS A 11 7.687 -4.419 -6.221 1.00 0.00 C ATOM 167 NZ LYS A 11 9.170 -4.518 -6.115 1.00 0.00 N ATOM 0 H LYS A 11 9.037 -7.167 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 11 6.685 -6.730 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.502 -5.814 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.784 -4.764 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.279 -5.951 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.774 -6.543 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.950 -4.223 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.423 -3.611 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.309 -5.254 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.422 -3.506 -6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.608 -3.725 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.450 -4.482 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.489 -5.416 -6.532 1.00 0.00 H new ATOM 181 N LEU A 12 5.344 -8.479 -2.207 1.00 0.00 N ATOM 182 CA LEU A 12 4.742 -9.721 -2.676 1.00 0.00 C ATOM 183 C LEU A 12 3.779 -9.427 -3.819 1.00 0.00 C ATOM 184 O LEU A 12 2.726 -8.826 -3.607 1.00 0.00 O ATOM 185 CB LEU A 12 4.003 -10.438 -1.536 1.00 0.00 C ATOM 186 CG LEU A 12 4.881 -10.951 -0.384 1.00 0.00 C ATOM 187 CD1 LEU A 12 4.011 -11.410 0.777 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.782 -12.092 -0.848 1.00 0.00 C ATOM 0 H LEU A 12 4.690 -7.851 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 12 5.536 -10.377 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.260 -9.755 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.459 -11.284 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 12 5.515 -10.130 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.645 -11.771 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.409 -10.574 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.355 -12.214 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.393 -12.436 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.168 -12.916 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.430 -11.740 -1.651 1.00 0.00 H new ATOM 200 N CYS A 13 4.160 -9.843 -5.027 1.00 0.00 N ATOM 201 CA CYS A 13 3.346 -9.622 -6.220 1.00 0.00 C ATOM 202 C CYS A 13 2.686 -10.920 -6.682 1.00 0.00 C ATOM 203 O CYS A 13 2.943 -11.992 -6.125 1.00 0.00 O ATOM 204 CB CYS A 13 4.211 -9.065 -7.352 1.00 0.00 C ATOM 205 SG CYS A 13 5.098 -7.528 -6.944 1.00 0.00 S ATOM 0 H CYS A 13 5.034 -10.338 -5.204 1.00 0.00 H new ATOM 0 HA CYS A 13 2.567 -8.904 -5.965 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.939 -9.823 -7.642 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.577 -8.884 -8.220 1.00 0.00 H new ATOM 210 N ALA A 14 1.850 -10.810 -7.718 1.00 0.00 N ATOM 211 CA ALA A 14 1.160 -11.965 -8.285 1.00 0.00 C ATOM 212 C ALA A 14 2.000 -12.597 -9.389 1.00 0.00 C ATOM 213 O ALA A 14 1.887 -13.795 -9.659 1.00 0.00 O ATOM 214 CB ALA A 14 -0.207 -11.559 -8.820 1.00 0.00 C ATOM 0 H ALA A 14 1.636 -9.927 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 14 1.015 -12.703 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.708 -12.432 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.809 -11.150 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.084 -10.804 -9.596 1.00 0.00 H new ATOM 220 N ASP A 15 2.848 -11.776 -10.013 1.00 0.00 N ATOM 221 CA ASP A 15 3.728 -12.233 -11.085 1.00 0.00 C ATOM 222 C ASP A 15 5.126 -11.652 -10.902 1.00 0.00 C ATOM 223 O ASP A 15 5.341 -10.769 -10.068 1.00 0.00 O ATOM 224 CB ASP A 15 3.155 -11.838 -12.453 1.00 0.00 C ATOM 225 CG ASP A 15 3.885 -12.468 -13.627 1.00 0.00 C ATOM 226 OD1 ASP A 15 3.912 -13.714 -13.712 1.00 0.00 O ATOM 227 OD2 ASP A 15 4.428 -11.713 -14.461 1.00 0.00 O ATOM 0 H ASP A 15 2.942 -10.785 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 15 3.796 -13.320 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.104 -12.126 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.193 -10.753 -12.553 1.00 0.00 H new ATOM 232 N GLN A 16 6.062 -12.159 -11.694 1.00 0.00 N ATOM 233 CA GLN A 16 7.461 -11.722 -11.652 1.00 0.00 C ATOM 234 C GLN A 16 7.606 -10.278 -12.151 1.00 0.00 C ATOM 235 O GLN A 16 8.582 -9.595 -11.825 1.00 0.00 O ATOM 236 CB GLN A 16 8.322 -12.674 -12.494 1.00 0.00 C ATOM 237 CG GLN A 16 9.823 -12.476 -12.324 1.00 0.00 C ATOM 238 CD GLN A 16 10.641 -13.434 -13.172 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.546 -13.431 -14.400 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.448 -14.262 -12.519 1.00 0.00 N ATOM 0 H GLN A 16 5.878 -12.886 -12.386 1.00 0.00 H new ATOM 0 HA GLN A 16 7.804 -11.748 -10.618 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.071 -13.701 -12.231 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.067 -12.543 -13.545 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.082 -11.451 -12.589 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.086 -12.610 -11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.496 -14.230 -11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.020 -14.930 -13.036 1.00 0.00 H new ATOM 249 N GLU A 17 6.630 -9.824 -12.936 1.00 0.00 N ATOM 250 CA GLU A 17 6.640 -8.468 -13.483 1.00 0.00 C ATOM 251 C GLU A 17 5.956 -7.481 -12.543 1.00 0.00 C ATOM 252 O GLU A 17 6.067 -6.266 -12.743 1.00 0.00 O ATOM 253 CB GLU A 17 5.921 -8.428 -14.837 1.00 0.00 C ATOM 254 CG GLU A 17 6.518 -9.350 -15.888 1.00 0.00 C ATOM 255 CD GLU A 17 5.841 -9.235 -17.246 1.00 0.00 C ATOM 256 OE1 GLU A 17 4.893 -8.431 -17.385 1.00 0.00 O ATOM 257 OE2 GLU A 17 6.262 -9.955 -18.176 1.00 0.00 O ATOM 0 H GLU A 17 5.818 -10.379 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 17 7.684 -8.181 -13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.875 -8.695 -14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.938 -7.406 -15.215 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.579 -9.124 -15.999 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.446 -10.380 -15.540 1.00 0.00 H new ATOM 264 N CYS A 18 5.215 -8.011 -11.547 1.00 0.00 N ATOM 265 CA CYS A 18 4.460 -7.182 -10.590 1.00 0.00 C ATOM 266 C CYS A 18 3.455 -6.301 -11.340 1.00 0.00 C ATOM 267 O CYS A 18 3.066 -5.225 -10.877 1.00 0.00 O ATOM 268 CB CYS A 18 5.394 -6.328 -9.714 1.00 0.00 C ATOM 269 SG CYS A 18 6.369 -7.284 -8.508 1.00 0.00 S ATOM 0 H CYS A 18 5.125 -9.014 -11.386 1.00 0.00 H new ATOM 0 HA CYS A 18 3.916 -7.849 -9.921 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.077 -5.777 -10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.797 -5.590 -9.178 1.00 0.00 H new ATOM 274 N SER A 19 3.054 -6.787 -12.519 1.00 0.00 N ATOM 275 CA SER A 19 2.113 -6.096 -13.388 1.00 0.00 C ATOM 276 C SER A 19 0.710 -6.701 -13.271 1.00 0.00 C ATOM 277 O SER A 19 -0.233 -6.248 -13.925 1.00 0.00 O ATOM 278 CB SER A 19 2.627 -6.164 -14.828 1.00 0.00 C ATOM 279 OG SER A 19 1.687 -5.638 -15.750 1.00 0.00 O ATOM 0 H SER A 19 3.379 -7.678 -12.894 1.00 0.00 H new ATOM 0 HA SER A 19 2.037 -5.052 -13.083 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.562 -5.609 -14.906 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.848 -7.200 -15.086 1.00 0.00 H new ATOM 0 HG SER A 19 0.805 -5.590 -15.326 1.00 0.00 H new ATOM 285 N HIS A 20 0.584 -7.724 -12.421 1.00 0.00 N ATOM 286 CA HIS A 20 -0.693 -8.399 -12.198 1.00 0.00 C ATOM 287 C HIS A 20 -1.352 -7.945 -10.887 1.00 0.00 C ATOM 288 O HIS A 20 -0.651 -7.675 -9.908 1.00 0.00 O ATOM 289 CB HIS A 20 -0.492 -9.919 -12.164 1.00 0.00 C ATOM 290 CG HIS A 20 -0.609 -10.614 -13.492 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.621 -11.986 -13.600 1.00 0.00 N ATOM 292 CD2 HIS A 20 -0.746 -10.141 -14.760 1.00 0.00 C ATOM 293 CE1 HIS A 20 -0.765 -12.331 -14.863 1.00 0.00 C ATOM 294 NE2 HIS A 20 -0.842 -11.231 -15.590 1.00 0.00 N ATOM 0 H HIS A 20 1.357 -8.103 -11.874 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.351 -8.132 -13.025 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.494 -10.129 -11.749 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.224 -10.350 -11.481 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.774 -9.103 -15.058 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.812 -13.342 -15.240 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.954 -11.197 -16.603 1.00 0.00 H new ATOM 303 N PRO A 21 -2.715 -7.871 -10.834 1.00 0.00 N ATOM 304 CA PRO A 21 -3.439 -7.471 -9.635 1.00 0.00 C ATOM 305 C PRO A 21 -3.800 -8.677 -8.762 1.00 0.00 C ATOM 306 O PRO A 21 -4.539 -9.568 -9.193 1.00 0.00 O ATOM 307 CB PRO A 21 -4.700 -6.805 -10.199 1.00 0.00 C ATOM 308 CG PRO A 21 -4.880 -7.351 -11.587 1.00 0.00 C ATOM 309 CD PRO A 21 -3.662 -8.182 -11.921 1.00 0.00 C ATOM 0 HA PRO A 21 -2.855 -6.817 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.568 -7.027 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.591 -5.721 -10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.783 -7.958 -11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.996 -6.539 -12.304 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.900 -9.245 -11.953 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.253 -7.918 -12.896 1.00 0.00 H new ATOM 317 N ILE A 22 -3.261 -8.702 -7.543 1.00 0.00 N ATOM 318 CA ILE A 22 -3.512 -9.802 -6.612 1.00 0.00 C ATOM 319 C ILE A 22 -4.986 -9.874 -6.226 1.00 0.00 C ATOM 320 O ILE A 22 -5.657 -10.856 -6.531 1.00 0.00 O ATOM 321 CB ILE A 22 -2.658 -9.682 -5.325 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.170 -9.549 -5.680 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.890 -10.894 -4.415 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.299 -9.119 -4.518 1.00 0.00 C ATOM 0 H ILE A 22 -2.648 -7.973 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.228 -10.715 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.964 -8.785 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.809 -10.506 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.063 -8.826 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.283 -10.795 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.943 -10.945 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.609 -11.805 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.738 -9.047 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.632 -8.147 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.375 -9.853 -3.715 1.00 0.00 H new ATOM 336 N SER A 23 -5.478 -8.841 -5.541 1.00 0.00 N ATOM 337 CA SER A 23 -6.868 -8.815 -5.105 1.00 0.00 C ATOM 338 C SER A 23 -7.488 -7.434 -5.273 1.00 0.00 C ATOM 339 O SER A 23 -6.838 -6.411 -5.036 1.00 0.00 O ATOM 340 CB SER A 23 -6.971 -9.244 -3.640 1.00 0.00 C ATOM 341 OG SER A 23 -6.442 -10.544 -3.448 1.00 0.00 O ATOM 0 H SER A 23 -4.936 -8.018 -5.279 1.00 0.00 H new ATOM 0 HA SER A 23 -7.419 -9.514 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.434 -8.534 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.014 -9.223 -3.325 1.00 0.00 H new ATOM 0 HG SER A 23 -6.519 -10.792 -2.503 1.00 0.00 H new ATOM 347 N MET A 24 -8.760 -7.426 -5.663 1.00 0.00 N ATOM 348 CA MET A 24 -9.513 -6.195 -5.845 1.00 0.00 C ATOM 349 C MET A 24 -10.190 -5.830 -4.526 1.00 0.00 C ATOM 350 O MET A 24 -11.064 -6.557 -4.046 1.00 0.00 O ATOM 351 CB MET A 24 -10.541 -6.378 -6.967 1.00 0.00 C ATOM 352 CG MET A 24 -11.287 -5.106 -7.334 1.00 0.00 C ATOM 353 SD MET A 24 -12.875 -4.946 -6.487 1.00 0.00 S ATOM 354 CE MET A 24 -13.818 -6.250 -7.274 1.00 0.00 C ATOM 0 H MET A 24 -9.294 -8.272 -5.861 1.00 0.00 H new ATOM 0 HA MET A 24 -8.846 -5.382 -6.132 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.033 -6.758 -7.853 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.263 -7.136 -6.664 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.665 -4.244 -7.092 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.453 -5.087 -8.411 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.883 -6.036 -7.182 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.550 -6.307 -8.329 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.596 -7.202 -6.791 1.00 0.00 H new ATOM 364 N ALA A 25 -9.758 -4.718 -3.932 1.00 0.00 N ATOM 365 CA ALA A 25 -10.296 -4.273 -2.651 1.00 0.00 C ATOM 366 C ALA A 25 -11.097 -2.983 -2.782 1.00 0.00 C ATOM 367 O ALA A 25 -10.776 -2.121 -3.601 1.00 0.00 O ATOM 368 CB ALA A 25 -9.166 -4.087 -1.651 1.00 0.00 C ATOM 0 H ALA A 25 -9.037 -4.110 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.978 -5.045 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.575 -3.755 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.644 -5.034 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.467 -3.339 -2.026 1.00 0.00 H new ATOM 374 N VAL A 26 -12.139 -2.866 -1.959 1.00 0.00 N ATOM 375 CA VAL A 26 -13.003 -1.682 -1.958 1.00 0.00 C ATOM 376 C VAL A 26 -12.581 -0.713 -0.844 1.00 0.00 C ATOM 377 O VAL A 26 -12.195 -1.145 0.246 1.00 0.00 O ATOM 378 CB VAL A 26 -14.494 -2.077 -1.773 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.411 -0.868 -1.917 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.891 -3.157 -2.772 1.00 0.00 C ATOM 0 H VAL A 26 -12.407 -3.579 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.894 -1.189 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.607 -2.471 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.447 -1.179 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.154 -0.125 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.289 -0.435 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.939 -3.420 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.748 -2.785 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.271 -4.040 -2.619 1.00 0.00 H new ATOM 390 N ALA A 27 -12.654 0.596 -1.131 1.00 0.00 N ATOM 391 CA ALA A 27 -12.282 1.632 -0.162 1.00 0.00 C ATOM 392 C ALA A 27 -13.443 1.960 0.773 1.00 0.00 C ATOM 393 O ALA A 27 -14.582 2.132 0.324 1.00 0.00 O ATOM 394 CB ALA A 27 -11.818 2.885 -0.883 1.00 0.00 C ATOM 0 H ALA A 27 -12.969 0.960 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.462 1.246 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.545 3.646 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.952 2.649 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.623 3.261 -1.514 1.00 0.00 H new ATOM 400 N LEU A 28 -13.146 2.035 2.076 1.00 0.00 N ATOM 401 CA LEU A 28 -14.164 2.323 3.090 1.00 0.00 C ATOM 402 C LEU A 28 -14.195 3.797 3.493 1.00 0.00 C ATOM 403 O LEU A 28 -15.173 4.244 4.098 1.00 0.00 O ATOM 404 CB LEU A 28 -13.943 1.465 4.358 1.00 0.00 C ATOM 405 CG LEU A 28 -14.161 -0.063 4.240 1.00 0.00 C ATOM 406 CD1 LEU A 28 -15.518 -0.392 3.624 1.00 0.00 C ATOM 407 CD2 LEU A 28 -13.033 -0.725 3.459 1.00 0.00 C ATOM 0 H LEU A 28 -12.207 1.900 2.452 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.121 2.073 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.923 1.633 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.608 1.839 5.136 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.152 -0.469 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.635 -1.474 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.311 0.021 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.579 0.042 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.216 -1.798 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.989 -0.303 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.086 -0.549 3.968 1.00 0.00 H new ATOM 419 N GLN A 29 -13.132 4.549 3.179 1.00 0.00 N ATOM 420 CA GLN A 29 -13.081 5.969 3.545 1.00 0.00 C ATOM 421 C GLN A 29 -12.277 6.805 2.543 1.00 0.00 C ATOM 422 O GLN A 29 -11.724 6.279 1.574 1.00 0.00 O ATOM 423 CB GLN A 29 -12.497 6.140 4.953 1.00 0.00 C ATOM 424 CG GLN A 29 -11.067 5.644 5.098 1.00 0.00 C ATOM 425 CD GLN A 29 -10.453 6.051 6.421 1.00 0.00 C ATOM 426 OE1 GLN A 29 -10.874 5.593 7.484 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.459 6.927 6.363 1.00 0.00 N ATOM 0 H GLN A 29 -12.310 4.206 2.682 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.107 6.336 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.533 7.195 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.129 5.607 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.050 4.558 5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.462 6.039 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.142 7.280 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.011 7.248 7.221 1.00 0.00 H new ATOM 436 N ASP A 30 -12.227 8.117 2.805 1.00 0.00 N ATOM 437 CA ASP A 30 -11.505 9.068 1.962 1.00 0.00 C ATOM 438 C ASP A 30 -10.037 9.168 2.375 1.00 0.00 C ATOM 439 O ASP A 30 -9.701 8.996 3.550 1.00 0.00 O ATOM 440 CB ASP A 30 -12.150 10.454 2.053 1.00 0.00 C ATOM 441 CG ASP A 30 -13.591 10.467 1.580 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.824 10.231 0.378 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.487 10.714 2.415 1.00 0.00 O ATOM 0 H ASP A 30 -12.687 8.546 3.608 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.556 8.706 0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.109 10.801 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.571 11.159 1.456 1.00 0.00 H new ATOM 448 N TYR A 31 -9.176 9.459 1.398 1.00 0.00 N ATOM 449 CA TYR A 31 -7.741 9.604 1.634 1.00 0.00 C ATOM 450 C TYR A 31 -7.127 10.571 0.624 1.00 0.00 C ATOM 451 O TYR A 31 -7.239 10.363 -0.587 1.00 0.00 O ATOM 452 CB TYR A 31 -7.023 8.246 1.529 1.00 0.00 C ATOM 453 CG TYR A 31 -5.643 8.240 2.168 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.489 8.082 3.541 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.496 8.393 1.395 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.236 8.079 4.125 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.240 8.392 1.971 1.00 0.00 C ATOM 458 CZ TYR A 31 -3.116 8.234 3.336 1.00 0.00 C ATOM 459 OH TYR A 31 -1.866 8.233 3.912 1.00 0.00 O ATOM 0 H TYR A 31 -9.453 9.600 0.427 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.613 9.998 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.638 7.481 2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.929 7.973 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.364 7.959 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.589 8.515 0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.135 7.956 5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.360 8.514 1.356 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.204 7.932 3.256 1.00 0.00 H new ATOM 469 N MET A 32 -6.456 11.608 1.128 1.00 0.00 N ATOM 470 CA MET A 32 -5.794 12.591 0.270 1.00 0.00 C ATOM 471 C MET A 32 -4.285 12.383 0.323 1.00 0.00 C ATOM 472 O MET A 32 -3.708 12.258 1.406 1.00 0.00 O ATOM 473 CB MET A 32 -6.153 14.017 0.694 1.00 0.00 C ATOM 474 CG MET A 32 -7.633 14.350 0.553 1.00 0.00 C ATOM 475 SD MET A 32 -8.226 14.244 -1.147 1.00 0.00 S ATOM 476 CE MET A 32 -9.949 14.684 -0.933 1.00 0.00 C ATOM 0 H MET A 32 -6.357 11.789 2.127 1.00 0.00 H new ATOM 0 HA MET A 32 -6.139 12.450 -0.754 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.856 14.162 1.732 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.574 14.720 0.095 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.213 13.669 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.810 15.357 0.931 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.453 14.663 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.426 13.971 -0.260 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.019 15.686 -0.509 1.00 0.00 H new ATOM 486 N ALA A 33 -3.656 12.317 -0.851 1.00 0.00 N ATOM 487 CA ALA A 33 -2.216 12.087 -0.936 1.00 0.00 C ATOM 488 C ALA A 33 -1.453 13.299 -1.477 1.00 0.00 C ATOM 489 O ALA A 33 -1.824 13.851 -2.517 1.00 0.00 O ATOM 490 CB ALA A 33 -1.943 10.885 -1.810 1.00 0.00 C ATOM 0 H ALA A 33 -4.121 12.419 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.860 11.909 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.868 10.716 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.424 10.006 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.340 11.064 -2.809 1.00 0.00 H new ATOM 496 N PRO A 34 -0.363 13.734 -0.785 1.00 0.00 N ATOM 497 CA PRO A 34 0.445 14.874 -1.209 1.00 0.00 C ATOM 498 C PRO A 34 1.516 14.488 -2.241 1.00 0.00 C ATOM 499 O PRO A 34 1.515 14.996 -3.364 1.00 0.00 O ATOM 500 CB PRO A 34 1.105 15.357 0.095 1.00 0.00 C ATOM 501 CG PRO A 34 0.681 14.397 1.165 1.00 0.00 C ATOM 502 CD PRO A 34 0.176 13.172 0.464 1.00 0.00 C ATOM 0 HA PRO A 34 -0.161 15.634 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.190 15.375 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.790 16.372 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.517 14.152 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.097 14.834 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.972 12.452 0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.590 12.657 1.044 1.00 0.00 H new ATOM 510 N ASP A 35 2.433 13.597 -1.839 1.00 0.00 N ATOM 511 CA ASP A 35 3.525 13.145 -2.706 1.00 0.00 C ATOM 512 C ASP A 35 3.166 11.877 -3.494 1.00 0.00 C ATOM 513 O ASP A 35 2.129 11.247 -3.249 1.00 0.00 O ATOM 514 CB ASP A 35 4.793 12.922 -1.876 1.00 0.00 C ATOM 515 CG ASP A 35 4.561 12.016 -0.681 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.163 10.853 -0.887 1.00 0.00 O ATOM 517 OD2 ASP A 35 4.780 12.473 0.460 1.00 0.00 O ATOM 0 H ASP A 35 2.438 13.173 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 35 3.704 13.930 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.566 12.488 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.169 13.885 -1.529 1.00 0.00 H new ATOM 522 N CYS A 36 4.044 11.517 -4.444 1.00 0.00 N ATOM 523 CA CYS A 36 3.856 10.342 -5.300 1.00 0.00 C ATOM 524 C CYS A 36 3.921 9.017 -4.523 1.00 0.00 C ATOM 525 O CYS A 36 3.500 7.980 -5.042 1.00 0.00 O ATOM 526 CB CYS A 36 4.909 10.344 -6.416 1.00 0.00 C ATOM 527 SG CYS A 36 4.635 9.094 -7.718 1.00 0.00 S ATOM 0 H CYS A 36 4.902 12.034 -4.637 1.00 0.00 H new ATOM 0 HA CYS A 36 2.854 10.411 -5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.930 11.332 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.891 10.179 -5.972 1.00 0.00 H new ATOM 0 HG CYS A 36 4.022 8.066 -7.211 1.00 0.00 H new ATOM 532 N ARG A 37 4.434 9.045 -3.283 1.00 0.00 N ATOM 533 CA ARG A 37 4.527 7.824 -2.475 1.00 0.00 C ATOM 534 C ARG A 37 3.149 7.334 -2.033 1.00 0.00 C ATOM 535 O ARG A 37 2.990 6.161 -1.699 1.00 0.00 O ATOM 536 CB ARG A 37 5.420 8.029 -1.245 1.00 0.00 C ATOM 537 CG ARG A 37 6.861 7.606 -1.454 1.00 0.00 C ATOM 538 CD ARG A 37 7.684 7.775 -0.183 1.00 0.00 C ATOM 539 NE ARG A 37 7.111 7.066 0.961 1.00 0.00 N ATOM 540 CZ ARG A 37 7.569 7.171 2.212 1.00 0.00 C ATOM 541 NH1 ARG A 37 8.627 7.927 2.492 1.00 0.00 N ATOM 542 NH2 ARG A 37 6.964 6.514 3.190 1.00 0.00 N ATOM 0 H ARG A 37 4.785 9.886 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 37 4.979 7.064 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.398 9.082 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.004 7.467 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.893 6.564 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.302 8.198 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.696 7.412 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.763 8.836 0.055 1.00 0.00 H new ATOM 0 HE ARG A 37 6.313 6.454 0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.101 8.437 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.964 7.997 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.152 5.931 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.310 6.591 4.146 1.00 0.00 H new ATOM 556 N PHE A 38 2.154 8.225 -2.031 1.00 0.00 N ATOM 557 CA PHE A 38 0.805 7.834 -1.620 1.00 0.00 C ATOM 558 C PHE A 38 -0.215 8.094 -2.728 1.00 0.00 C ATOM 559 O PHE A 38 0.008 8.928 -3.609 1.00 0.00 O ATOM 560 CB PHE A 38 0.390 8.558 -0.328 1.00 0.00 C ATOM 561 CG PHE A 38 1.220 8.200 0.882 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.382 8.897 1.183 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.837 7.160 1.718 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.141 8.567 2.288 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.594 6.826 2.826 1.00 0.00 C ATOM 566 CZ PHE A 38 2.747 7.531 3.111 1.00 0.00 C ATOM 0 H PHE A 38 2.254 9.203 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 38 0.823 6.762 -1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.454 9.634 -0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.655 8.329 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.697 9.709 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.063 6.605 1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.043 9.119 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.284 6.015 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.339 7.272 3.976 1.00 0.00 H new ATOM 576 N LEU A 39 -1.336 7.365 -2.670 1.00 0.00 N ATOM 577 CA LEU A 39 -2.415 7.496 -3.657 1.00 0.00 C ATOM 578 C LEU A 39 -3.646 8.170 -3.058 1.00 0.00 C ATOM 579 O LEU A 39 -4.008 7.906 -1.909 1.00 0.00 O ATOM 580 CB LEU A 39 -2.814 6.115 -4.193 1.00 0.00 C ATOM 581 CG LEU A 39 -2.066 5.642 -5.443 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.190 4.136 -5.586 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.616 6.328 -6.688 1.00 0.00 C ATOM 0 H LEU A 39 -1.520 6.673 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.038 8.118 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.661 5.381 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.881 6.127 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.014 5.906 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.655 3.810 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.763 3.651 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.242 3.864 -5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.072 5.979 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.674 6.089 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.496 7.407 -6.592 1.00 0.00 H new ATOM 595 N THR A 40 -4.298 9.026 -3.854 1.00 0.00 N ATOM 596 CA THR A 40 -5.507 9.721 -3.415 1.00 0.00 C ATOM 597 C THR A 40 -6.723 8.861 -3.754 1.00 0.00 C ATOM 598 O THR A 40 -7.069 8.687 -4.926 1.00 0.00 O ATOM 599 CB THR A 40 -5.613 11.106 -4.075 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.427 11.849 -3.866 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.764 11.943 -3.551 1.00 0.00 C ATOM 0 H THR A 40 -4.006 9.252 -4.805 1.00 0.00 H new ATOM 0 HA THR A 40 -5.464 9.877 -2.337 1.00 0.00 H new ATOM 0 HB THR A 40 -5.783 10.904 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.511 12.727 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.776 12.906 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.705 11.423 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.640 12.102 -2.480 1.00 0.00 H new ATOM 609 N ILE A 41 -7.341 8.300 -2.715 1.00 0.00 N ATOM 610 CA ILE A 41 -8.498 7.420 -2.878 1.00 0.00 C ATOM 611 C ILE A 41 -9.756 8.044 -2.271 1.00 0.00 C ATOM 612 O ILE A 41 -9.679 8.759 -1.279 1.00 0.00 O ATOM 613 CB ILE A 41 -8.224 6.044 -2.207 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.902 5.452 -2.728 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.375 5.074 -2.470 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.385 4.274 -1.922 1.00 0.00 C ATOM 0 H ILE A 41 -7.057 8.441 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.663 7.278 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.143 6.198 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.041 5.137 -3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.144 6.235 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.162 4.118 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.298 5.486 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.487 4.925 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.451 3.918 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.211 4.586 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.122 3.471 -1.938 1.00 0.00 H new ATOM 628 N HIS A 42 -10.912 7.748 -2.870 1.00 0.00 N ATOM 629 CA HIS A 42 -12.190 8.258 -2.379 1.00 0.00 C ATOM 630 C HIS A 42 -13.024 7.119 -1.804 1.00 0.00 C ATOM 631 O HIS A 42 -12.821 5.950 -2.148 1.00 0.00 O ATOM 632 CB HIS A 42 -12.960 8.976 -3.492 1.00 0.00 C ATOM 633 CG HIS A 42 -12.295 10.228 -3.977 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.035 11.308 -3.159 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.837 10.570 -5.205 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.449 12.261 -3.863 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.317 11.838 -5.107 1.00 0.00 N ATOM 0 H HIS A 42 -10.987 7.156 -3.697 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.988 8.981 -1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.086 8.294 -4.333 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.958 9.223 -3.130 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.874 9.960 -6.095 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.132 13.222 -3.485 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.897 12.367 -5.871 1.00 0.00 H new ATOM 646 N ARG A 43 -13.946 7.474 -0.915 1.00 0.00 N ATOM 647 CA ARG A 43 -14.818 6.510 -0.248 1.00 0.00 C ATOM 648 C ARG A 43 -15.767 5.828 -1.238 1.00 0.00 C ATOM 649 O ARG A 43 -16.636 6.477 -1.827 1.00 0.00 O ATOM 650 CB ARG A 43 -15.613 7.228 0.848 1.00 0.00 C ATOM 651 CG ARG A 43 -16.286 6.298 1.843 1.00 0.00 C ATOM 652 CD ARG A 43 -16.927 7.072 2.986 1.00 0.00 C ATOM 653 NE ARG A 43 -15.954 7.885 3.721 1.00 0.00 N ATOM 654 CZ ARG A 43 -16.256 8.658 4.769 1.00 0.00 C ATOM 655 NH1 ARG A 43 -17.505 8.737 5.223 1.00 0.00 N ATOM 656 NH2 ARG A 43 -15.301 9.357 5.367 1.00 0.00 N ATOM 0 H ARG A 43 -14.111 8.441 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.199 5.730 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.942 7.896 1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.374 7.852 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.045 5.706 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.552 5.599 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.711 7.717 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.405 6.373 3.672 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.982 7.859 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.247 8.203 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.720 9.331 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.341 9.303 5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.527 9.948 6.167 1.00 0.00 H new ATOM 670 N GLY A 44 -15.596 4.510 -1.401 1.00 0.00 N ATOM 671 CA GLY A 44 -16.448 3.749 -2.304 1.00 0.00 C ATOM 672 C GLY A 44 -15.804 3.437 -3.646 1.00 0.00 C ATOM 673 O GLY A 44 -16.430 2.788 -4.487 1.00 0.00 O ATOM 0 H GLY A 44 -14.883 3.960 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.728 2.813 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.369 4.307 -2.475 1.00 0.00 H new ATOM 677 N GLN A 45 -14.563 3.890 -3.858 1.00 0.00 N ATOM 678 CA GLN A 45 -13.868 3.636 -5.125 1.00 0.00 C ATOM 679 C GLN A 45 -13.258 2.238 -5.166 1.00 0.00 C ATOM 680 O GLN A 45 -13.122 1.572 -4.136 1.00 0.00 O ATOM 681 CB GLN A 45 -12.779 4.680 -5.385 1.00 0.00 C ATOM 682 CG GLN A 45 -13.322 6.035 -5.810 1.00 0.00 C ATOM 683 CD GLN A 45 -12.258 6.921 -6.432 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.232 7.209 -5.816 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.499 7.359 -7.663 1.00 0.00 N ATOM 0 H GLN A 45 -14.025 4.428 -3.178 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.620 3.708 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.184 4.804 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.108 4.308 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.132 5.890 -6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.749 6.540 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.363 7.096 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.820 7.958 -8.133 1.00 0.00 H new ATOM 694 N VAL A 46 -12.899 1.807 -6.379 1.00 0.00 N ATOM 695 CA VAL A 46 -12.303 0.492 -6.605 1.00 0.00 C ATOM 696 C VAL A 46 -10.782 0.602 -6.699 1.00 0.00 C ATOM 697 O VAL A 46 -10.260 1.241 -7.612 1.00 0.00 O ATOM 698 CB VAL A 46 -12.834 -0.154 -7.908 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.496 -1.634 -7.954 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.333 0.056 -8.063 1.00 0.00 C ATOM 0 H VAL A 46 -13.014 2.360 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.580 -0.136 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.339 0.340 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.879 -2.066 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.414 -1.762 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.952 -2.138 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.672 -0.410 -8.988 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.853 -0.395 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.549 1.124 -8.094 1.00 0.00 H new ATOM 710 N VAL A 47 -10.081 -0.023 -5.752 1.00 0.00 N ATOM 711 CA VAL A 47 -8.617 0.006 -5.731 1.00 0.00 C ATOM 712 C VAL A 47 -8.047 -1.382 -6.017 1.00 0.00 C ATOM 713 O VAL A 47 -8.426 -2.356 -5.363 1.00 0.00 O ATOM 714 CB VAL A 47 -8.065 0.496 -4.366 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.594 0.868 -4.481 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.870 1.670 -3.825 1.00 0.00 C ATOM 0 H VAL A 47 -10.502 -0.555 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.307 0.707 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.162 -0.328 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.228 1.209 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.022 -0.004 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.477 1.666 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.454 1.986 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.825 2.499 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.908 1.367 -3.687 1.00 0.00 H new ATOM 726 N TYR A 48 -7.129 -1.468 -6.985 1.00 0.00 N ATOM 727 CA TYR A 48 -6.509 -2.746 -7.330 1.00 0.00 C ATOM 728 C TYR A 48 -5.154 -2.887 -6.640 1.00 0.00 C ATOM 729 O TYR A 48 -4.256 -2.069 -6.854 1.00 0.00 O ATOM 730 CB TYR A 48 -6.331 -2.905 -8.854 1.00 0.00 C ATOM 731 CG TYR A 48 -7.599 -3.238 -9.633 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.761 -2.479 -9.517 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.618 -4.320 -10.507 1.00 0.00 C ATOM 734 CE1 TYR A 48 -9.895 -2.790 -10.241 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.749 -4.634 -11.236 1.00 0.00 C ATOM 736 CZ TYR A 48 -9.884 -3.868 -11.099 1.00 0.00 C ATOM 737 OH TYR A 48 -11.011 -4.179 -11.824 1.00 0.00 O ATOM 0 H TYR A 48 -6.803 -0.675 -7.537 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.179 -3.532 -6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.914 -1.980 -9.252 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.597 -3.690 -9.036 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.775 -1.631 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.731 -4.927 -10.618 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.787 -2.191 -10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.742 -5.477 -11.911 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.835 -4.966 -12.381 1.00 0.00 H new ATOM 747 N VAL A 49 -5.015 -3.928 -5.816 1.00 0.00 N ATOM 748 CA VAL A 49 -3.765 -4.180 -5.097 1.00 0.00 C ATOM 749 C VAL A 49 -2.816 -4.994 -5.974 1.00 0.00 C ATOM 750 O VAL A 49 -3.157 -6.095 -6.405 1.00 0.00 O ATOM 751 CB VAL A 49 -4.011 -4.929 -3.762 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.722 -5.057 -2.958 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.084 -4.227 -2.940 1.00 0.00 C ATOM 0 H VAL A 49 -5.752 -4.609 -5.631 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.317 -3.214 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.361 -5.933 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.925 -5.586 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.985 -5.612 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.333 -4.064 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.241 -4.769 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.764 -3.209 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.016 -4.200 -3.505 1.00 0.00 H new ATOM 763 N PHE A 50 -1.634 -4.436 -6.246 1.00 0.00 N ATOM 764 CA PHE A 50 -0.641 -5.103 -7.087 1.00 0.00 C ATOM 765 C PHE A 50 0.449 -5.785 -6.262 1.00 0.00 C ATOM 766 O PHE A 50 0.986 -6.814 -6.679 1.00 0.00 O ATOM 767 CB PHE A 50 -0.003 -4.108 -8.069 1.00 0.00 C ATOM 768 CG PHE A 50 -0.858 -3.782 -9.270 1.00 0.00 C ATOM 769 CD1 PHE A 50 -1.991 -2.988 -9.155 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.525 -4.280 -10.521 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.769 -2.698 -10.259 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.300 -3.992 -11.628 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.424 -3.200 -11.497 1.00 0.00 C ATOM 0 H PHE A 50 -1.342 -3.524 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.169 -5.875 -7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.221 -3.184 -7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.947 -4.516 -8.414 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.268 -2.592 -8.189 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.352 -4.901 -10.631 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.647 -2.078 -10.153 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.027 -4.386 -12.596 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.031 -2.974 -12.361 1.00 0.00 H new ATOM 783 N SER A 51 0.785 -5.210 -5.101 1.00 0.00 N ATOM 784 CA SER A 51 1.829 -5.779 -4.243 1.00 0.00 C ATOM 785 C SER A 51 1.586 -5.491 -2.765 1.00 0.00 C ATOM 786 O SER A 51 0.854 -4.566 -2.413 1.00 0.00 O ATOM 787 CB SER A 51 3.202 -5.228 -4.642 1.00 0.00 C ATOM 788 OG SER A 51 3.232 -3.814 -4.541 1.00 0.00 O ATOM 0 H SER A 51 0.354 -4.360 -4.738 1.00 0.00 H new ATOM 0 HA SER A 51 1.801 -6.859 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.971 -5.658 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.435 -5.528 -5.664 1.00 0.00 H new ATOM 0 HG SER A 51 3.861 -3.452 -5.200 1.00 0.00 H new ATOM 794 N LYS A 52 2.234 -6.290 -1.908 1.00 0.00 N ATOM 795 CA LYS A 52 2.135 -6.129 -0.453 1.00 0.00 C ATOM 796 C LYS A 52 3.544 -6.005 0.129 1.00 0.00 C ATOM 797 O LYS A 52 4.303 -6.977 0.137 1.00 0.00 O ATOM 798 CB LYS A 52 1.397 -7.312 0.198 1.00 0.00 C ATOM 799 CG LYS A 52 0.069 -7.658 -0.462 1.00 0.00 C ATOM 800 CD LYS A 52 -0.603 -8.838 0.219 1.00 0.00 C ATOM 801 CE LYS A 52 -1.927 -9.185 -0.441 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.592 -10.343 0.219 1.00 0.00 N ATOM 0 H LYS A 52 2.836 -7.059 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 52 1.560 -5.228 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.044 -8.189 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.219 -7.081 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.592 -6.792 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.234 -7.890 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.059 -9.703 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.770 -8.605 1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.588 -8.319 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.759 -9.415 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.492 -10.547 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.973 -11.177 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.776 -10.115 1.217 1.00 0.00 H new ATOM 816 N LEU A 53 3.899 -4.799 0.584 1.00 0.00 N ATOM 817 CA LEU A 53 5.235 -4.538 1.135 1.00 0.00 C ATOM 818 C LEU A 53 5.466 -5.274 2.455 1.00 0.00 C ATOM 819 O LEU A 53 4.516 -5.611 3.160 1.00 0.00 O ATOM 820 CB LEU A 53 5.443 -3.031 1.335 1.00 0.00 C ATOM 821 CG LEU A 53 5.224 -2.157 0.088 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.254 -0.685 0.465 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.263 -2.454 -0.987 1.00 0.00 C ATOM 0 H LEU A 53 3.281 -3.988 0.582 1.00 0.00 H new ATOM 0 HA LEU A 53 5.961 -4.914 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.766 -2.690 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.458 -2.868 1.697 1.00 0.00 H new ATOM 0 HG LEU A 53 4.243 -2.396 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.098 -0.078 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.465 -0.478 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.221 -0.442 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.080 -1.820 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.260 -2.254 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.193 -3.501 -1.282 1.00 0.00 H new ATOM 835 N LYS A 54 6.746 -5.519 2.770 1.00 0.00 N ATOM 836 CA LYS A 54 7.139 -6.216 4.003 1.00 0.00 C ATOM 837 C LYS A 54 8.272 -5.466 4.707 1.00 0.00 C ATOM 838 O LYS A 54 8.642 -4.364 4.296 1.00 0.00 O ATOM 839 CB LYS A 54 7.592 -7.652 3.692 1.00 0.00 C ATOM 840 CG LYS A 54 6.552 -8.504 2.984 1.00 0.00 C ATOM 841 CD LYS A 54 7.025 -9.945 2.817 1.00 0.00 C ATOM 842 CE LYS A 54 8.182 -10.073 1.826 1.00 0.00 C ATOM 843 NZ LYS A 54 7.828 -9.557 0.474 1.00 0.00 N ATOM 0 H LYS A 54 7.532 -5.242 2.182 1.00 0.00 H new ATOM 0 HA LYS A 54 6.270 -6.250 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.490 -7.610 3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.869 -8.142 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.621 -8.489 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.335 -8.076 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.336 -10.336 3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.191 -10.560 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.045 -9.527 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.476 -11.120 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.637 -10.356 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.980 -8.958 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.619 -8.996 0.098 1.00 0.00 H new ATOM 857 N GLY A 55 8.820 -6.078 5.765 1.00 0.00 N ATOM 858 CA GLY A 55 9.908 -5.467 6.512 1.00 0.00 C ATOM 859 C GLY A 55 9.413 -4.546 7.606 1.00 0.00 C ATOM 860 O GLY A 55 8.948 -5.010 8.650 1.00 0.00 O ATOM 0 H GLY A 55 8.525 -6.989 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.527 -6.249 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.544 -4.905 5.828 1.00 0.00 H new ATOM 864 N ARG A 56 9.510 -3.241 7.361 1.00 0.00 N ATOM 865 CA ARG A 56 9.065 -2.236 8.326 1.00 0.00 C ATOM 866 C ARG A 56 7.718 -1.641 7.909 1.00 0.00 C ATOM 867 O ARG A 56 7.142 -0.822 8.632 1.00 0.00 O ATOM 868 CB ARG A 56 10.121 -1.129 8.480 1.00 0.00 C ATOM 869 CG ARG A 56 10.494 -0.435 7.176 1.00 0.00 C ATOM 870 CD ARG A 56 11.542 0.648 7.403 1.00 0.00 C ATOM 871 NE ARG A 56 11.941 1.316 6.157 1.00 0.00 N ATOM 872 CZ ARG A 56 12.688 0.756 5.194 1.00 0.00 C ATOM 873 NH1 ARG A 56 13.169 -0.479 5.326 1.00 0.00 N ATOM 874 NH2 ARG A 56 12.966 1.446 4.097 1.00 0.00 N ATOM 0 H ARG A 56 9.894 -2.853 6.499 1.00 0.00 H new ATOM 0 HA ARG A 56 8.936 -2.725 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.749 -0.383 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.021 -1.559 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.876 -1.170 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.603 0.006 6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.149 1.389 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.421 0.206 7.872 1.00 0.00 H new ATOM 0 HE ARG A 56 11.627 2.276 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.971 -1.016 6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.735 -0.888 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.612 2.397 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.534 1.026 3.361 1.00 0.00 H new ATOM 888 N GLY A 57 7.226 -2.064 6.740 1.00 0.00 N ATOM 889 CA GLY A 57 5.954 -1.573 6.237 1.00 0.00 C ATOM 890 C GLY A 57 5.062 -2.688 5.727 1.00 0.00 C ATOM 891 O GLY A 57 4.586 -2.636 4.590 1.00 0.00 O ATOM 0 H GLY A 57 7.690 -2.740 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.437 -1.033 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.136 -0.861 5.432 1.00 0.00 H new ATOM 895 N ARG A 58 4.829 -3.695 6.576 1.00 0.00 N ATOM 896 CA ARG A 58 3.978 -4.837 6.216 1.00 0.00 C ATOM 897 C ARG A 58 2.501 -4.447 6.173 1.00 0.00 C ATOM 898 O ARG A 58 1.673 -5.192 5.641 1.00 0.00 O ATOM 899 CB ARG A 58 4.185 -6.025 7.172 1.00 0.00 C ATOM 900 CG ARG A 58 4.220 -5.655 8.649 1.00 0.00 C ATOM 901 CD ARG A 58 5.654 -5.569 9.162 1.00 0.00 C ATOM 902 NE ARG A 58 6.300 -6.884 9.249 1.00 0.00 N ATOM 903 CZ ARG A 58 6.000 -7.827 10.155 1.00 0.00 C ATOM 904 NH1 ARG A 58 5.085 -7.608 11.096 1.00 0.00 N ATOM 905 NH2 ARG A 58 6.632 -8.992 10.121 1.00 0.00 N ATOM 0 H ARG A 58 5.218 -3.743 7.518 1.00 0.00 H new ATOM 0 HA ARG A 58 4.280 -5.148 5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.384 -6.747 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.120 -6.523 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.719 -4.698 8.799 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.668 -6.397 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.235 -4.926 8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.657 -5.101 10.146 1.00 0.00 H new ATOM 0 HE ARG A 58 7.031 -7.097 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.599 -6.712 11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.869 -8.336 11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.341 -9.167 9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.409 -9.713 10.807 1.00 0.00 H new ATOM 919 N LEU A 59 2.182 -3.272 6.718 1.00 0.00 N ATOM 920 CA LEU A 59 0.809 -2.775 6.727 1.00 0.00 C ATOM 921 C LEU A 59 0.563 -1.839 5.537 1.00 0.00 C ATOM 922 O LEU A 59 -0.513 -1.247 5.416 1.00 0.00 O ATOM 923 CB LEU A 59 0.472 -2.069 8.058 1.00 0.00 C ATOM 924 CG LEU A 59 1.309 -0.827 8.410 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.504 0.118 9.288 1.00 0.00 C ATOM 926 CD2 LEU A 59 2.599 -1.221 9.121 1.00 0.00 C ATOM 0 H LEU A 59 2.858 -2.648 7.159 1.00 0.00 H new ATOM 0 HA LEU A 59 0.145 -3.634 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.578 -1.776 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.581 -2.793 8.865 1.00 0.00 H new ATOM 0 HG LEU A 59 1.568 -0.320 7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.108 0.993 9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.394 0.433 8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.220 -0.393 10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.172 -0.325 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.359 -1.753 10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.189 -1.867 8.472 1.00 0.00 H new ATOM 938 N PHE A 60 1.567 -1.721 4.657 1.00 0.00 N ATOM 939 CA PHE A 60 1.462 -0.871 3.471 1.00 0.00 C ATOM 940 C PHE A 60 1.323 -1.714 2.205 1.00 0.00 C ATOM 941 O PHE A 60 2.195 -2.530 1.883 1.00 0.00 O ATOM 942 CB PHE A 60 2.677 0.062 3.344 1.00 0.00 C ATOM 943 CG PHE A 60 2.716 1.180 4.356 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.171 0.962 5.649 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.308 2.459 4.004 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.214 1.993 6.569 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.352 3.493 4.920 1.00 0.00 C ATOM 948 CZ PHE A 60 2.805 3.260 6.203 1.00 0.00 C ATOM 0 H PHE A 60 2.460 -2.205 4.747 1.00 0.00 H new ATOM 0 HA PHE A 60 0.567 -0.260 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.586 -0.531 3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.684 0.494 2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.496 -0.026 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.952 2.649 3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.567 1.808 7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.032 4.483 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.839 4.067 6.919 1.00 0.00 H new ATOM 958 N TRP A 61 0.213 -1.509 1.497 1.00 0.00 N ATOM 959 CA TRP A 61 -0.072 -2.236 0.262 1.00 0.00 C ATOM 960 C TRP A 61 0.002 -1.310 -0.946 1.00 0.00 C ATOM 961 O TRP A 61 -0.629 -0.253 -0.966 1.00 0.00 O ATOM 962 CB TRP A 61 -1.461 -2.893 0.341 1.00 0.00 C ATOM 963 CG TRP A 61 -1.534 -4.136 1.202 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.505 -4.774 1.847 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.718 -4.883 1.524 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.972 -5.875 2.516 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.327 -5.959 2.345 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.071 -4.748 1.195 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.237 -6.891 2.838 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.972 -5.672 1.687 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.552 -6.731 2.501 1.00 0.00 C ATOM 0 H TRP A 61 -0.509 -0.839 1.761 1.00 0.00 H new ATOM 0 HA TRP A 61 0.683 -3.013 0.143 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.171 -2.161 0.726 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.783 -3.149 -0.668 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.526 -4.454 1.830 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.402 -6.527 3.055 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.405 -3.935 0.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.915 -7.710 3.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.019 -5.576 1.440 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.282 -7.436 2.870 1.00 0.00 H new ATOM 982 N GLY A 62 0.782 -1.717 -1.947 1.00 0.00 N ATOM 983 CA GLY A 62 0.938 -0.923 -3.153 1.00 0.00 C ATOM 984 C GLY A 62 -0.024 -1.331 -4.250 1.00 0.00 C ATOM 985 O GLY A 62 -0.568 -2.437 -4.228 1.00 0.00 O ATOM 0 H GLY A 62 1.311 -2.589 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.784 0.129 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.961 -1.020 -3.517 1.00 0.00 H new ATOM 989 N GLY A 63 -0.223 -0.428 -5.211 1.00 0.00 N ATOM 990 CA GLY A 63 -1.117 -0.682 -6.326 1.00 0.00 C ATOM 991 C GLY A 63 -1.520 0.594 -7.041 1.00 0.00 C ATOM 992 O GLY A 63 -0.786 1.589 -7.014 1.00 0.00 O ATOM 0 H GLY A 63 0.228 0.487 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.631 -1.354 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.010 -1.191 -5.964 1.00 0.00 H new ATOM 996 N SER A 64 -2.696 0.559 -7.674 1.00 0.00 N ATOM 997 CA SER A 64 -3.237 1.709 -8.401 1.00 0.00 C ATOM 998 C SER A 64 -4.765 1.679 -8.352 1.00 0.00 C ATOM 999 O SER A 64 -5.384 0.641 -8.612 1.00 0.00 O ATOM 1000 CB SER A 64 -2.738 1.725 -9.854 1.00 0.00 C ATOM 1001 OG SER A 64 -1.329 1.857 -9.911 1.00 0.00 O ATOM 0 H SER A 64 -3.297 -0.265 -7.697 1.00 0.00 H new ATOM 0 HA SER A 64 -2.886 2.623 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.040 0.805 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.205 2.550 -10.392 1.00 0.00 H new ATOM 0 HG SER A 64 -1.039 1.863 -10.847 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.364 2.817 -7.993 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.821 2.928 -7.882 1.00 0.00 C ATOM 1009 C VAL A 65 -7.457 3.378 -9.201 1.00 0.00 C ATOM 1010 O VAL A 65 -6.966 4.292 -9.858 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.230 3.895 -6.729 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.587 5.270 -6.894 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.747 4.022 -6.631 1.00 0.00 C ATOM 0 H VAL A 65 -4.861 3.677 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.197 1.932 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.861 3.463 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.895 5.917 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.502 5.167 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.905 5.709 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.003 4.702 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.141 4.412 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.182 3.042 -6.435 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.562 2.722 -9.573 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.279 3.049 -10.806 1.00 0.00 C ATOM 1025 C GLN A 66 -10.270 4.197 -10.587 1.00 0.00 C ATOM 1026 O GLN A 66 -10.310 4.796 -9.509 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.008 1.817 -11.341 1.00 0.00 C ATOM 1028 CG GLN A 66 -9.087 0.632 -11.576 1.00 0.00 C ATOM 1029 CD GLN A 66 -9.456 -0.222 -12.791 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -10.509 0.149 -13.524 1.00 0.00 O flip ATOM 1031 NE2 GLN A 66 -8.789 -1.218 -13.071 1.00 0.00 N flip ATOM 0 H GLN A 66 -8.978 1.961 -9.036 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.544 3.374 -11.543 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.787 1.529 -10.635 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.504 2.074 -12.277 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.068 0.998 -11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.093 0.001 -10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.990 -1.476 -12.492 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.035 -1.785 -13.882 1.00 0.00 H new ATOM 1139 N ALA A 74 -1.569 4.328 -14.578 1.00 0.00 N ATOM 1140 CA ALA A 74 -1.377 3.098 -13.790 1.00 0.00 C ATOM 1141 C ALA A 74 0.109 2.762 -13.697 1.00 0.00 C ATOM 1142 O ALA A 74 0.517 1.944 -12.867 1.00 0.00 O ATOM 1143 CB ALA A 74 -2.141 1.906 -14.364 1.00 0.00 C ATOM 0 HA ALA A 74 -1.779 3.292 -12.795 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.963 1.027 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.208 2.130 -14.378 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.798 1.709 -15.380 1.00 0.00 H new ATOM 1149 N ALA A 75 0.912 3.408 -14.554 1.00 0.00 N ATOM 1150 CA ALA A 75 2.360 3.201 -14.582 1.00 0.00 C ATOM 1151 C ALA A 75 3.003 3.720 -13.302 1.00 0.00 C ATOM 1152 O ALA A 75 3.921 3.097 -12.763 1.00 0.00 O ATOM 1153 CB ALA A 75 2.969 3.884 -15.798 1.00 0.00 C ATOM 0 H ALA A 75 0.576 4.083 -15.241 1.00 0.00 H new ATOM 0 HA ALA A 75 2.553 2.130 -14.651 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.047 3.721 -15.805 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.533 3.467 -16.706 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.764 4.954 -15.755 1.00 0.00 H new ATOM 1159 N ARG A 76 2.496 4.855 -12.812 1.00 0.00 N ATOM 1160 CA ARG A 76 2.998 5.456 -11.578 1.00 0.00 C ATOM 1161 C ARG A 76 2.425 4.717 -10.365 1.00 0.00 C ATOM 1162 O ARG A 76 1.347 5.044 -9.859 1.00 0.00 O ATOM 1163 CB ARG A 76 2.686 6.965 -11.520 1.00 0.00 C ATOM 1164 CG ARG A 76 1.258 7.340 -11.904 1.00 0.00 C ATOM 1165 CD ARG A 76 0.992 8.825 -11.691 1.00 0.00 C ATOM 1166 NE ARG A 76 1.902 9.685 -12.463 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.883 9.822 -13.797 1.00 0.00 C ATOM 1168 NH1 ARG A 76 0.986 9.185 -14.543 1.00 0.00 N ATOM 1169 NH2 ARG A 76 2.769 10.616 -14.385 1.00 0.00 N ATOM 0 H ARG A 76 1.737 5.375 -13.253 1.00 0.00 H new ATOM 0 HA ARG A 76 4.083 5.356 -11.561 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.881 7.323 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.375 7.489 -12.182 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.083 7.084 -12.949 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.555 6.755 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.037 9.049 -11.972 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.091 9.059 -10.631 1.00 0.00 H new ATOM 0 HE ARG A 76 2.600 10.218 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.295 8.578 -14.102 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.989 9.303 -15.556 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.457 11.116 -13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.762 10.726 -15.399 1.00 0.00 H new ATOM 1183 N LEU A 77 3.160 3.696 -9.928 1.00 0.00 N ATOM 1184 CA LEU A 77 2.756 2.867 -8.798 1.00 0.00 C ATOM 1185 C LEU A 77 2.797 3.656 -7.490 1.00 0.00 C ATOM 1186 O LEU A 77 3.824 4.245 -7.141 1.00 0.00 O ATOM 1187 CB LEU A 77 3.666 1.636 -8.716 1.00 0.00 C ATOM 1188 CG LEU A 77 2.963 0.288 -8.453 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.352 0.245 -7.064 1.00 0.00 C ATOM 1190 CD2 LEU A 77 1.903 -0.007 -9.512 1.00 0.00 C ATOM 0 H LEU A 77 4.049 3.422 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 77 1.727 2.544 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.221 1.557 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.397 1.802 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 77 3.726 -0.488 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.865 -0.718 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.135 0.378 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.617 1.044 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.428 -0.964 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.150 0.781 -9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.372 -0.049 -10.495 1.00 0.00 H new ATOM 1202 N GLY A 78 1.669 3.656 -6.773 1.00 0.00 N ATOM 1203 CA GLY A 78 1.579 4.367 -5.507 1.00 0.00 C ATOM 1204 C GLY A 78 1.264 3.434 -4.360 1.00 0.00 C ATOM 1205 O GLY A 78 0.892 2.284 -4.586 1.00 0.00 O ATOM 0 H GLY A 78 0.814 3.173 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.521 4.880 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.807 5.133 -5.575 1.00 0.00 H new ATOM 1209 N TYR A 79 1.419 3.918 -3.127 1.00 0.00 N ATOM 1210 CA TYR A 79 1.150 3.092 -1.951 1.00 0.00 C ATOM 1211 C TYR A 79 -0.026 3.647 -1.147 1.00 0.00 C ATOM 1212 O TYR A 79 -0.352 4.835 -1.240 1.00 0.00 O ATOM 1213 CB TYR A 79 2.410 2.972 -1.078 1.00 0.00 C ATOM 1214 CG TYR A 79 3.657 2.580 -1.859 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.801 1.303 -2.394 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.677 3.497 -2.080 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.924 0.954 -3.119 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.802 3.156 -2.806 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.921 1.885 -3.324 1.00 0.00 C ATOM 1220 OH TYR A 79 7.040 1.541 -4.047 1.00 0.00 O ATOM 0 H TYR A 79 1.726 4.868 -2.918 1.00 0.00 H new ATOM 0 HA TYR A 79 0.875 2.094 -2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.588 3.925 -0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.232 2.232 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.021 0.572 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.589 4.495 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.021 -0.043 -3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.585 3.883 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 79 7.844 1.779 -3.539 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.670 2.767 -0.378 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.831 3.137 0.437 1.00 0.00 C ATOM 1232 C PHE A 80 -1.944 2.226 1.675 1.00 0.00 C ATOM 1233 O PHE A 80 -1.471 1.089 1.639 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.121 3.075 -0.418 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.325 1.784 -1.183 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -3.899 0.672 -0.577 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -2.936 1.686 -2.512 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.077 -0.504 -1.279 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.114 0.511 -3.217 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.685 -0.585 -2.600 1.00 0.00 C ATOM 0 H PHE A 80 -0.405 1.785 -0.302 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.699 4.160 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.979 3.231 0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.107 3.902 -1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.210 0.729 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.489 2.539 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.523 -1.360 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.807 0.450 -4.251 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.825 -1.504 -3.150 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.567 2.700 2.796 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.713 1.893 4.016 1.00 0.00 C ATOM 1252 C PRO A 81 -3.738 0.774 3.848 1.00 0.00 C ATOM 1253 O PRO A 81 -4.844 1.001 3.354 1.00 0.00 O ATOM 1254 CB PRO A 81 -3.189 2.900 5.079 1.00 0.00 C ATOM 1255 CG PRO A 81 -3.024 4.247 4.458 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.167 4.037 2.983 1.00 0.00 C ATOM 0 HA PRO A 81 -1.780 1.395 4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.228 2.719 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.600 2.814 5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.777 4.943 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.050 4.672 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.210 4.062 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.642 4.802 2.411 1.00 0.00 H new ATOM 1264 N SER A 82 -3.360 -0.435 4.265 1.00 0.00 N ATOM 1265 CA SER A 82 -4.235 -1.607 4.166 1.00 0.00 C ATOM 1266 C SER A 82 -5.467 -1.460 5.064 1.00 0.00 C ATOM 1267 O SER A 82 -6.491 -2.112 4.842 1.00 0.00 O ATOM 1268 CB SER A 82 -3.455 -2.868 4.550 1.00 0.00 C ATOM 1269 OG SER A 82 -3.052 -2.829 5.907 1.00 0.00 O ATOM 0 H SER A 82 -2.448 -0.630 4.677 1.00 0.00 H new ATOM 0 HA SER A 82 -4.579 -1.689 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.074 -3.748 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.578 -2.965 3.910 1.00 0.00 H new ATOM 0 HG SER A 82 -2.207 -2.339 5.983 1.00 0.00 H new ATOM 1275 N SER A 83 -5.347 -0.602 6.081 1.00 0.00 N ATOM 1276 CA SER A 83 -6.425 -0.358 7.038 1.00 0.00 C ATOM 1277 C SER A 83 -7.644 0.321 6.400 1.00 0.00 C ATOM 1278 O SER A 83 -8.745 0.245 6.953 1.00 0.00 O ATOM 1279 CB SER A 83 -5.905 0.498 8.197 1.00 0.00 C ATOM 1280 OG SER A 83 -6.913 0.716 9.169 1.00 0.00 O ATOM 0 H SER A 83 -4.502 -0.060 6.262 1.00 0.00 H new ATOM 0 HA SER A 83 -6.754 -1.331 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.050 0.006 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.552 1.456 7.815 1.00 0.00 H new ATOM 0 HG SER A 83 -7.794 0.679 8.741 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.460 0.988 5.251 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.583 1.669 4.596 1.00 0.00 C ATOM 1288 C ILE A 84 -9.177 0.849 3.445 1.00 0.00 C ATOM 1289 O ILE A 84 -10.128 1.296 2.796 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.215 3.086 4.093 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.150 3.042 2.996 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.735 3.944 5.257 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -7.143 4.276 2.124 1.00 0.00 C ATOM 0 H ILE A 84 -6.566 1.069 4.767 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.342 1.772 5.372 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.113 3.528 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.169 2.924 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.317 2.164 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.478 4.939 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.527 4.023 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.856 3.485 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.365 4.182 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.112 4.383 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.946 5.155 2.738 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.630 -0.348 3.195 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.142 -1.201 2.118 1.00 0.00 C ATOM 1307 C VAL A 85 -9.646 -2.540 2.655 1.00 0.00 C ATOM 1308 O VAL A 85 -9.222 -2.993 3.722 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.085 -1.458 1.008 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.617 -0.147 0.393 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -6.899 -2.260 1.533 1.00 0.00 C ATOM 0 H VAL A 85 -7.846 -0.742 3.715 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.974 -0.654 1.676 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.566 -2.053 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.878 -0.352 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.468 0.373 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.170 0.478 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.182 -2.419 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.419 -1.711 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.247 -3.224 1.904 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.550 -3.165 1.900 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.115 -4.457 2.280 1.00 0.00 C ATOM 1323 C ARG A 86 -11.137 -5.401 1.080 1.00 0.00 C ATOM 1324 O ARG A 86 -11.926 -5.217 0.147 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.529 -4.280 2.846 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.125 -5.555 3.429 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.525 -5.321 3.973 1.00 0.00 C ATOM 1328 NE ARG A 86 -14.533 -4.377 5.093 1.00 0.00 N ATOM 1329 CZ ARG A 86 -15.633 -3.996 5.751 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -16.830 -4.470 5.413 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.533 -3.136 6.754 1.00 0.00 N ATOM 0 H ARG A 86 -10.907 -2.795 1.019 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.486 -4.894 3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.506 -3.514 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.183 -3.914 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.157 -6.327 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.482 -5.926 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.164 -4.941 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.950 -6.271 4.298 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.640 -3.984 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.917 -5.133 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.660 -4.170 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.620 -2.768 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.369 -2.842 7.259 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.262 -6.409 1.119 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.166 -7.398 0.048 1.00 0.00 C ATOM 1347 C GLU A 87 -11.386 -8.314 0.046 1.00 0.00 C ATOM 1348 O GLU A 87 -11.655 -9.008 1.031 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.885 -8.222 0.196 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.646 -7.540 -0.366 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.387 -8.387 -0.243 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -6.457 -9.491 0.343 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.328 -7.943 -0.732 1.00 0.00 O ATOM 0 H GLU A 87 -9.607 -6.560 1.886 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.133 -6.867 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.722 -8.436 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.020 -9.180 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.815 -7.302 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.492 -6.595 0.154 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.124 -8.297 -1.063 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.327 -9.111 -1.205 1.00 0.00 C ATOM 1362 C ASP A 88 -13.097 -10.280 -2.160 1.00 0.00 C ATOM 1363 O ASP A 88 -13.588 -11.385 -1.921 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.491 -8.246 -1.700 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.801 -9.009 -1.778 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -16.270 -9.497 -0.727 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.357 -9.120 -2.890 1.00 0.00 O ATOM 0 H ASP A 88 -11.907 -7.725 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.575 -9.521 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.612 -7.393 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.248 -7.848 -2.685 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.360 -10.028 -3.247 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.086 -11.073 -4.240 1.00 0.00 C ATOM 1374 C GLN A 89 -10.631 -11.035 -4.716 1.00 0.00 C ATOM 1375 O GLN A 89 -10.049 -9.963 -4.865 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.031 -10.913 -5.440 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.072 -12.124 -6.364 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.729 -11.780 -7.802 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.658 -12.381 -8.309 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.416 -10.989 -8.447 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.946 -9.120 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.256 -12.038 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.038 -10.715 -5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.725 -10.040 -6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.374 -12.877 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.067 -12.568 -6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.230 -10.551 -8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.171 -10.771 -9.413 1.00 0.00 H new ATOM 1389 N THR A 90 -10.067 -12.223 -4.969 1.00 0.00 N ATOM 1390 CA THR A 90 -8.690 -12.352 -5.453 1.00 0.00 C ATOM 1391 C THR A 90 -8.705 -12.654 -6.954 1.00 0.00 C ATOM 1392 O THR A 90 -9.293 -13.648 -7.386 1.00 0.00 O ATOM 1393 CB THR A 90 -7.960 -13.462 -4.687 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.065 -13.257 -3.289 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.485 -13.571 -5.015 1.00 0.00 C ATOM 0 H THR A 90 -10.549 -13.113 -4.845 1.00 0.00 H new ATOM 0 HA THR A 90 -8.158 -11.416 -5.284 1.00 0.00 H new ATOM 0 HB THR A 90 -8.450 -14.384 -5.000 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.612 -12.423 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.041 -14.379 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.363 -13.781 -6.078 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.988 -12.632 -4.771 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.078 -11.777 -7.737 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.045 -11.916 -9.198 1.00 0.00 C ATOM 1405 C LEU A 91 -6.890 -12.803 -9.656 1.00 0.00 C ATOM 1406 O LEU A 91 -6.966 -13.430 -10.717 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.891 -10.531 -9.848 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.734 -9.398 -9.237 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.277 -8.053 -9.775 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.217 -9.601 -9.504 1.00 0.00 C ATOM 0 H LEU A 91 -7.583 -10.958 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.982 -12.381 -9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.841 -10.243 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.147 -10.617 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.586 -9.416 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.882 -7.260 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.229 -7.895 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.391 -8.037 -10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.782 -8.783 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.394 -9.621 -10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.540 -10.545 -9.066 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.828 -12.845 -8.854 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.639 -13.647 -9.169 1.00 0.00 C ATOM 1424 C LYS A 92 -3.815 -13.920 -7.893 1.00 0.00 C ATOM 1425 O LYS A 92 -3.581 -12.998 -7.112 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.775 -12.923 -10.221 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.624 -13.765 -10.778 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.770 -14.056 -12.273 1.00 0.00 C ATOM 1429 CE LYS A 92 -3.946 -14.978 -12.586 1.00 0.00 C ATOM 1430 NZ LYS A 92 -3.781 -16.325 -11.971 1.00 0.00 N ATOM 0 H LYS A 92 -5.763 -12.331 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.964 -14.604 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.414 -12.611 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.364 -12.017 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.682 -13.244 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.573 -14.707 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.898 -13.116 -12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.850 -14.511 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.868 -14.525 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.046 -15.083 -13.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.089 -17.055 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.781 -16.476 -11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.358 -16.386 -11.108 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.371 -15.193 -7.654 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.579 -15.563 -6.461 1.00 0.00 C ATOM 1446 C PRO A 93 -1.310 -14.731 -6.286 1.00 0.00 C ATOM 1447 O PRO A 93 -0.490 -14.632 -7.202 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.203 -17.021 -6.739 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.306 -17.520 -7.587 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.605 -16.382 -8.507 1.00 0.00 C ATOM 0 HA PRO A 93 -3.146 -15.398 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.243 -17.095 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.119 -17.594 -5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.011 -18.412 -8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.177 -17.789 -6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.953 -16.387 -9.380 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.630 -16.419 -8.875 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.153 -14.156 -5.092 1.00 0.00 N ATOM 1459 CA GLY A 94 0.020 -13.355 -4.788 1.00 0.00 C ATOM 1460 C GLY A 94 1.000 -14.111 -3.921 1.00 0.00 C ATOM 1461 O GLY A 94 1.024 -13.939 -2.699 1.00 0.00 O ATOM 0 H GLY A 94 -1.824 -14.233 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.508 -13.057 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.285 -12.440 -4.280 1.00 0.00 H new ATOM 1465 N LYS A 95 1.794 -14.962 -4.561 1.00 0.00 N ATOM 1466 CA LYS A 95 2.782 -15.783 -3.862 1.00 0.00 C ATOM 1467 C LYS A 95 4.177 -15.663 -4.489 1.00 0.00 C ATOM 1468 O LYS A 95 4.974 -16.606 -4.441 1.00 0.00 O ATOM 1469 CB LYS A 95 2.323 -17.249 -3.819 1.00 0.00 C ATOM 1470 CG LYS A 95 1.608 -17.708 -5.084 1.00 0.00 C ATOM 1471 CD LYS A 95 1.333 -19.212 -5.089 1.00 0.00 C ATOM 1472 CE LYS A 95 0.327 -19.630 -4.015 1.00 0.00 C ATOM 1473 NZ LYS A 95 -1.004 -18.995 -4.216 1.00 0.00 N ATOM 0 H LYS A 95 1.774 -15.104 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 95 2.859 -15.409 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.191 -17.887 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.658 -17.387 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.665 -17.169 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.213 -17.450 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.956 -19.505 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.269 -19.749 -4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.216 -20.714 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.713 -19.359 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.672 -19.358 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.916 -17.964 -4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.355 -19.219 -5.169 1.00 0.00 H new ATOM 1487 N VAL A 96 4.469 -14.491 -5.061 1.00 0.00 N ATOM 1488 CA VAL A 96 5.772 -14.232 -5.683 1.00 0.00 C ATOM 1489 C VAL A 96 6.512 -13.135 -4.912 1.00 0.00 C ATOM 1490 O VAL A 96 5.916 -12.125 -4.545 1.00 0.00 O ATOM 1491 CB VAL A 96 5.623 -13.815 -7.172 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.982 -13.697 -7.853 1.00 0.00 C ATOM 1493 CG2 VAL A 96 4.738 -14.799 -7.926 1.00 0.00 C ATOM 0 H VAL A 96 3.820 -13.705 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 96 6.346 -15.158 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 96 5.147 -12.835 -7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.843 -13.404 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.582 -12.944 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.494 -14.658 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.649 -14.485 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.182 -15.794 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.749 -14.823 -7.469 1.00 0.00 H new ATOM 1503 N ASP A 97 7.808 -13.347 -4.662 1.00 0.00 N ATOM 1504 CA ASP A 97 8.624 -12.377 -3.925 1.00 0.00 C ATOM 1505 C ASP A 97 9.587 -11.645 -4.860 1.00 0.00 C ATOM 1506 O ASP A 97 10.531 -12.239 -5.389 1.00 0.00 O ATOM 1507 CB ASP A 97 9.400 -13.084 -2.807 1.00 0.00 C ATOM 1508 CG ASP A 97 10.246 -12.130 -1.983 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.673 -11.210 -1.362 1.00 0.00 O ATOM 1510 OD2 ASP A 97 11.483 -12.303 -1.959 1.00 0.00 O ATOM 0 H ASP A 97 8.314 -14.181 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 97 7.958 -11.637 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.697 -13.597 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.043 -13.847 -3.244 1.00 0.00 H new ATOM 1515 N VAL A 98 9.337 -10.345 -5.050 1.00 0.00 N ATOM 1516 CA VAL A 98 10.174 -9.506 -5.912 1.00 0.00 C ATOM 1517 C VAL A 98 10.669 -8.282 -5.137 1.00 0.00 C ATOM 1518 O VAL A 98 9.876 -7.580 -4.510 1.00 0.00 O ATOM 1519 CB VAL A 98 9.409 -9.034 -7.182 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.336 -8.286 -8.133 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.753 -10.210 -7.896 1.00 0.00 C ATOM 0 H VAL A 98 8.558 -9.850 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 98 11.021 -10.113 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 98 8.625 -8.350 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.776 -7.968 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.747 -7.412 -7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.150 -8.943 -8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.226 -9.851 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.518 -10.926 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.046 -10.695 -7.224 1.00 0.00 H new ATOM 1531 N LYS A 99 11.979 -8.035 -5.192 1.00 0.00 N ATOM 1532 CA LYS A 99 12.581 -6.893 -4.498 1.00 0.00 C ATOM 1533 C LYS A 99 12.355 -5.601 -5.290 1.00 0.00 C ATOM 1534 O LYS A 99 12.027 -5.644 -6.478 1.00 0.00 O ATOM 1535 CB LYS A 99 14.083 -7.128 -4.277 1.00 0.00 C ATOM 1536 CG LYS A 99 14.872 -7.364 -5.553 1.00 0.00 C ATOM 1537 CD LYS A 99 16.331 -7.673 -5.258 1.00 0.00 C ATOM 1538 CE LYS A 99 17.120 -7.909 -6.536 1.00 0.00 C ATOM 1539 NZ LYS A 99 18.551 -8.212 -6.258 1.00 0.00 N ATOM 0 H LYS A 99 12.644 -8.610 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 99 12.099 -6.791 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.502 -6.265 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.212 -7.988 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.429 -8.191 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.808 -6.482 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.774 -6.846 -4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.396 -8.555 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.675 -8.736 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.053 -7.026 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.054 -8.366 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.983 -7.413 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.617 -9.069 -5.672 1.00 0.00 H new ATOM 1553 N THR A 100 12.532 -4.457 -4.623 1.00 0.00 N ATOM 1554 CA THR A 100 12.345 -3.152 -5.263 1.00 0.00 C ATOM 1555 C THR A 100 13.633 -2.681 -5.937 1.00 0.00 C ATOM 1556 O THR A 100 14.731 -2.917 -5.427 1.00 0.00 O ATOM 1557 CB THR A 100 11.881 -2.111 -4.238 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.837 -1.964 -3.204 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.554 -2.451 -3.592 1.00 0.00 C ATOM 0 H THR A 100 12.804 -4.408 -3.641 1.00 0.00 H new ATOM 0 HA THR A 100 11.576 -3.263 -6.028 1.00 0.00 H new ATOM 0 HB THR A 100 11.763 -1.186 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.765 -2.718 -2.582 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.287 -1.672 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.783 -2.520 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.636 -3.406 -3.073 1.00 0.00 H new ATOM 1567 N ASP A 101 13.483 -2.015 -7.086 1.00 0.00 N ATOM 1568 CA ASP A 101 14.625 -1.503 -7.841 1.00 0.00 C ATOM 1569 C ASP A 101 14.785 0.014 -7.597 1.00 0.00 C ATOM 1570 O ASP A 101 14.939 0.427 -6.446 1.00 0.00 O ATOM 1571 CB ASP A 101 14.454 -1.853 -9.330 1.00 0.00 C ATOM 1572 CG ASP A 101 15.723 -1.645 -10.139 1.00 0.00 C ATOM 1573 OD1 ASP A 101 16.745 -2.289 -9.818 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.694 -0.842 -11.095 1.00 0.00 O ATOM 0 H ASP A 101 12.578 -1.819 -7.513 1.00 0.00 H new ATOM 0 HA ASP A 101 15.546 -1.975 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.139 -2.893 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.657 -1.241 -9.752 1.00 0.00 H new ATOM 1579 N LYS A 102 14.749 0.840 -8.656 1.00 0.00 N ATOM 1580 CA LYS A 102 14.892 2.289 -8.503 1.00 0.00 C ATOM 1581 C LYS A 102 13.671 3.032 -9.046 1.00 0.00 C ATOM 1582 O LYS A 102 13.483 4.212 -8.750 1.00 0.00 O ATOM 1583 CB LYS A 102 16.184 2.785 -9.185 1.00 0.00 C ATOM 1584 CG LYS A 102 16.252 2.542 -10.697 1.00 0.00 C ATOM 1585 CD LYS A 102 15.883 3.785 -11.514 1.00 0.00 C ATOM 1586 CE LYS A 102 16.997 4.824 -11.533 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.267 4.275 -12.087 1.00 0.00 N ATOM 0 H LYS A 102 14.623 0.528 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 102 14.962 2.505 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.288 3.854 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.037 2.295 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.259 2.223 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.579 1.726 -10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.651 3.488 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.980 4.233 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.683 5.681 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.171 5.187 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.870 5.057 -12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.765 3.738 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.053 3.646 -12.887 1.00 0.00 H new ATOM 1601 N TRP A 103 12.851 2.338 -9.843 1.00 0.00 N ATOM 1602 CA TRP A 103 11.651 2.939 -10.433 1.00 0.00 C ATOM 1603 C TRP A 103 10.459 2.869 -9.478 1.00 0.00 C ATOM 1604 O TRP A 103 9.377 3.379 -9.790 1.00 0.00 O ATOM 1605 CB TRP A 103 11.300 2.257 -11.764 1.00 0.00 C ATOM 1606 CG TRP A 103 12.383 2.368 -12.799 1.00 0.00 C ATOM 1607 CD1 TRP A 103 13.419 1.500 -12.997 1.00 0.00 C ATOM 1608 CD2 TRP A 103 12.548 3.416 -13.766 1.00 0.00 C ATOM 1609 NE1 TRP A 103 14.216 1.942 -14.025 1.00 0.00 N ATOM 1610 CE2 TRP A 103 13.703 3.116 -14.513 1.00 0.00 C ATOM 1611 CE3 TRP A 103 11.832 4.579 -14.071 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 14.158 3.934 -15.543 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 12.284 5.390 -15.096 1.00 0.00 C ATOM 1614 CH2 TRP A 103 13.437 5.065 -15.820 1.00 0.00 C ATOM 0 H TRP A 103 12.997 1.360 -10.094 1.00 0.00 H new ATOM 0 HA TRP A 103 11.872 3.990 -10.621 1.00 0.00 H new ATOM 0 HB2 TRP A 103 11.092 1.203 -11.579 1.00 0.00 H new ATOM 0 HB3 TRP A 103 10.385 2.698 -12.159 1.00 0.00 H new ATOM 0 HD1 TRP A 103 13.587 0.597 -12.428 1.00 0.00 H new ATOM 0 HE1 TRP A 103 15.054 1.473 -14.369 1.00 0.00 H new ATOM 0 HE3 TRP A 103 10.943 4.839 -13.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 15.047 3.686 -16.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 11.738 6.289 -15.342 1.00 0.00 H new ATOM 0 HH2 TRP A 103 13.765 5.720 -16.614 1.00 0.00 H new ATOM 1625 N ASP A 104 10.663 2.246 -8.316 1.00 0.00 N ATOM 1626 CA ASP A 104 9.612 2.116 -7.309 1.00 0.00 C ATOM 1627 C ASP A 104 9.419 3.431 -6.557 1.00 0.00 C ATOM 1628 O ASP A 104 8.294 3.797 -6.207 1.00 0.00 O ATOM 1629 CB ASP A 104 9.949 0.990 -6.327 1.00 0.00 C ATOM 1630 CG ASP A 104 9.949 -0.380 -6.983 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.772 -0.606 -7.896 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.125 -1.228 -6.582 1.00 0.00 O ATOM 0 H ASP A 104 11.552 1.822 -8.050 1.00 0.00 H new ATOM 0 HA ASP A 104 8.680 1.870 -7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.929 1.178 -5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.227 0.997 -5.511 1.00 0.00 H new ATOM 1637 N PHE A 105 10.528 4.137 -6.320 1.00 0.00 N ATOM 1638 CA PHE A 105 10.503 5.418 -5.617 1.00 0.00 C ATOM 1639 C PHE A 105 11.105 6.524 -6.488 1.00 0.00 C ATOM 1640 O PHE A 105 12.013 7.249 -6.064 1.00 0.00 O ATOM 1641 CB PHE A 105 11.261 5.319 -4.283 1.00 0.00 C ATOM 1642 CG PHE A 105 10.530 4.556 -3.211 1.00 0.00 C ATOM 1643 CD1 PHE A 105 10.565 3.168 -3.159 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.817 5.236 -2.241 1.00 0.00 C ATOM 1645 CE1 PHE A 105 9.901 2.482 -2.169 1.00 0.00 C ATOM 1646 CE2 PHE A 105 9.154 4.550 -1.248 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.196 3.173 -1.216 1.00 0.00 C ATOM 0 H PHE A 105 11.460 3.838 -6.608 1.00 0.00 H new ATOM 0 HA PHE A 105 9.463 5.670 -5.407 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.224 4.841 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.467 6.326 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 105 11.121 2.621 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.780 6.315 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.934 1.403 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.601 5.091 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.673 2.636 -0.439 1.00 0.00 H new ATOM 1657 N TYR A 106 10.591 6.638 -7.713 1.00 0.00 N ATOM 1658 CA TYR A 106 11.066 7.640 -8.664 1.00 0.00 C ATOM 1659 C TYR A 106 9.934 8.057 -9.604 1.00 0.00 C ATOM 1660 O TYR A 106 9.564 7.313 -10.517 1.00 0.00 O ATOM 1661 CB TYR A 106 12.262 7.066 -9.448 1.00 0.00 C ATOM 1662 CG TYR A 106 13.018 8.040 -10.341 1.00 0.00 C ATOM 1663 CD1 TYR A 106 13.227 9.372 -9.977 1.00 0.00 C ATOM 1664 CD2 TYR A 106 13.542 7.607 -11.552 1.00 0.00 C ATOM 1665 CE1 TYR A 106 13.927 10.233 -10.796 1.00 0.00 C ATOM 1666 CE2 TYR A 106 14.246 8.461 -12.373 1.00 0.00 C ATOM 1667 CZ TYR A 106 14.436 9.774 -11.994 1.00 0.00 C ATOM 1668 OH TYR A 106 15.138 10.630 -12.811 1.00 0.00 O ATOM 0 H TYR A 106 9.842 6.045 -8.070 1.00 0.00 H new ATOM 0 HA TYR A 106 11.394 8.531 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 106 12.967 6.641 -8.733 1.00 0.00 H new ATOM 0 HB3 TYR A 106 11.902 6.244 -10.067 1.00 0.00 H new ATOM 0 HD1 TYR A 106 12.834 9.734 -9.038 1.00 0.00 H new ATOM 0 HD2 TYR A 106 13.395 6.581 -11.856 1.00 0.00 H new ATOM 0 HE1 TYR A 106 14.076 11.261 -10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.648 8.104 -13.310 1.00 0.00 H new ATOM 0 HH TYR A 106 15.429 10.150 -13.615 1.00 0.00 H new