USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot 175:sc= 2.24 USER MOD Set 1.2: A 22 SER OG : rot 71:sc= 0.621 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.00524 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.221 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 154:sc= -0.153 (180deg=-0.73) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 87:sc= 0.0395 USER MOD Single : A 24 ASN :FLIP amide:sc= -2.25! C(o=-2.8!,f=-2.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.59 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.352 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.21) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.201 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.084 -23.165 9.535 1.00 0.00 N ATOM 2 CA GLY A 1 4.161 -22.138 8.513 1.00 0.00 C ATOM 3 C GLY A 1 3.680 -20.789 9.010 1.00 0.00 C ATOM 4 O GLY A 1 3.952 -20.406 10.148 1.00 0.00 O ATOM 0 H1 GLY A 1 4.941 -23.753 9.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.006 -22.718 10.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.249 -23.761 9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.191 -22.049 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.563 -22.440 7.653 1.00 0.00 H new ATOM 8 N SER A 2 2.964 -20.066 8.155 1.00 0.00 N ATOM 9 CA SER A 2 2.449 -18.749 8.512 1.00 0.00 C ATOM 10 C SER A 2 0.969 -18.825 8.874 1.00 0.00 C ATOM 11 O SER A 2 0.434 -17.935 9.536 1.00 0.00 O ATOM 12 CB SER A 2 2.653 -17.768 7.356 1.00 0.00 C ATOM 13 OG SER A 2 2.730 -16.434 7.827 1.00 0.00 O ATOM 0 H SER A 2 2.727 -20.370 7.210 1.00 0.00 H new ATOM 0 HA SER A 2 3.001 -18.394 9.382 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.567 -18.020 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.830 -17.860 6.647 1.00 0.00 H new ATOM 0 HG SER A 2 2.862 -15.827 7.069 1.00 0.00 H new ATOM 19 N SER A 3 0.312 -19.894 8.435 1.00 0.00 N ATOM 20 CA SER A 3 -1.107 -20.086 8.710 1.00 0.00 C ATOM 21 C SER A 3 -1.876 -18.780 8.531 1.00 0.00 C ATOM 22 O SER A 3 -2.664 -18.389 9.391 1.00 0.00 O ATOM 23 CB SER A 3 -1.306 -20.618 10.130 1.00 0.00 C ATOM 24 OG SER A 3 -2.647 -21.029 10.337 1.00 0.00 O ATOM 0 H SER A 3 0.740 -20.640 7.887 1.00 0.00 H new ATOM 0 HA SER A 3 -1.494 -20.816 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.634 -21.458 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.044 -19.844 10.852 1.00 0.00 H new ATOM 0 HG SER A 3 -3.252 -20.286 10.133 1.00 0.00 H new ATOM 30 N GLY A 4 -1.640 -18.110 7.407 1.00 0.00 N ATOM 31 CA GLY A 4 -2.316 -16.856 7.135 1.00 0.00 C ATOM 32 C GLY A 4 -2.355 -16.527 5.656 1.00 0.00 C ATOM 33 O GLY A 4 -1.619 -15.659 5.186 1.00 0.00 O ATOM 0 H GLY A 4 -0.992 -18.414 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.335 -16.905 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.811 -16.051 7.670 1.00 0.00 H new ATOM 37 N SER A 5 -3.215 -17.223 4.919 1.00 0.00 N ATOM 38 CA SER A 5 -3.344 -17.004 3.483 1.00 0.00 C ATOM 39 C SER A 5 -4.506 -16.065 3.178 1.00 0.00 C ATOM 40 O SER A 5 -5.329 -16.340 2.305 1.00 0.00 O ATOM 41 CB SER A 5 -3.546 -18.337 2.759 1.00 0.00 C ATOM 42 OG SER A 5 -2.322 -19.038 2.630 1.00 0.00 O ATOM 0 H SER A 5 -3.833 -17.943 5.293 1.00 0.00 H new ATOM 0 HA SER A 5 -2.424 -16.541 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.262 -18.948 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.972 -18.157 1.772 1.00 0.00 H new ATOM 0 HG SER A 5 -2.478 -19.887 2.166 1.00 0.00 H new ATOM 48 N SER A 6 -4.568 -14.954 3.906 1.00 0.00 N ATOM 49 CA SER A 6 -5.632 -13.975 3.717 1.00 0.00 C ATOM 50 C SER A 6 -5.084 -12.554 3.809 1.00 0.00 C ATOM 51 O SER A 6 -4.160 -12.281 4.573 1.00 0.00 O ATOM 52 CB SER A 6 -6.732 -14.178 4.760 1.00 0.00 C ATOM 53 OG SER A 6 -6.250 -13.918 6.067 1.00 0.00 O ATOM 0 H SER A 6 -3.894 -14.710 4.632 1.00 0.00 H new ATOM 0 HA SER A 6 -6.054 -14.120 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.572 -13.518 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.107 -15.200 4.704 1.00 0.00 H new ATOM 0 HG SER A 6 -6.973 -14.053 6.715 1.00 0.00 H new ATOM 59 N GLY A 7 -5.663 -11.651 3.023 1.00 0.00 N ATOM 60 CA GLY A 7 -5.221 -10.269 3.030 1.00 0.00 C ATOM 61 C GLY A 7 -6.372 -9.291 2.900 1.00 0.00 C ATOM 62 O GLY A 7 -7.534 -9.694 2.839 1.00 0.00 O ATOM 0 H GLY A 7 -6.430 -11.852 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.681 -10.068 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.520 -10.111 2.211 1.00 0.00 H new ATOM 66 N ARG A 8 -6.050 -8.002 2.858 1.00 0.00 N ATOM 67 CA ARG A 8 -7.067 -6.964 2.737 1.00 0.00 C ATOM 68 C ARG A 8 -6.791 -6.072 1.530 1.00 0.00 C ATOM 69 O ARG A 8 -5.659 -5.643 1.309 1.00 0.00 O ATOM 70 CB ARG A 8 -7.116 -6.118 4.010 1.00 0.00 C ATOM 71 CG ARG A 8 -6.016 -5.073 4.090 1.00 0.00 C ATOM 72 CD ARG A 8 -5.623 -4.786 5.531 1.00 0.00 C ATOM 73 NE ARG A 8 -6.493 -3.788 6.147 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.168 -3.103 7.237 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.999 -3.306 7.828 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.014 -2.211 7.738 1.00 0.00 N ATOM 0 H ARG A 8 -5.093 -7.652 2.906 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.032 -7.450 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.084 -5.620 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.044 -6.776 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.143 -5.419 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.352 -4.152 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.665 -5.709 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.591 -4.436 5.563 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.400 -3.607 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.346 -3.990 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.752 -2.778 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.914 -2.052 7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.764 -1.685 8.575 1.00 0.00 H new ATOM 90 N ARG A 9 -7.834 -5.796 0.754 1.00 0.00 N ATOM 91 CA ARG A 9 -7.704 -4.956 -0.431 1.00 0.00 C ATOM 92 C ARG A 9 -7.919 -3.487 -0.081 1.00 0.00 C ATOM 93 O ARG A 9 -9.054 -3.035 0.073 1.00 0.00 O ATOM 94 CB ARG A 9 -8.708 -5.389 -1.501 1.00 0.00 C ATOM 95 CG ARG A 9 -8.231 -6.560 -2.345 1.00 0.00 C ATOM 96 CD ARG A 9 -9.361 -7.140 -3.182 1.00 0.00 C ATOM 97 NE ARG A 9 -8.929 -8.302 -3.954 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.695 -8.916 -4.849 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.925 -8.479 -5.084 1.00 0.00 N ATOM 100 NH2 ARG A 9 -9.231 -9.968 -5.512 1.00 0.00 N ATOM 0 H ARG A 9 -8.778 -6.142 0.924 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.693 -5.075 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.647 -5.659 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.917 -4.542 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.423 -6.233 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.822 -7.335 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.186 -7.425 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.740 -6.375 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.988 -8.662 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.284 -7.670 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.512 -8.952 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.285 -10.306 -5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.820 -10.438 -6.199 1.00 0.00 H new ATOM 114 N MET A 10 -6.822 -2.747 0.043 1.00 0.00 N ATOM 115 CA MET A 10 -6.892 -1.328 0.374 1.00 0.00 C ATOM 116 C MET A 10 -7.085 -0.486 -0.883 1.00 0.00 C ATOM 117 O MET A 10 -6.661 -0.872 -1.973 1.00 0.00 O ATOM 118 CB MET A 10 -5.621 -0.890 1.105 1.00 0.00 C ATOM 119 CG MET A 10 -5.115 -1.913 2.109 1.00 0.00 C ATOM 120 SD MET A 10 -4.167 -1.163 3.447 1.00 0.00 S ATOM 121 CE MET A 10 -5.448 -0.238 4.292 1.00 0.00 C ATOM 0 H MET A 10 -5.875 -3.106 -0.080 1.00 0.00 H new ATOM 0 HA MET A 10 -7.750 -1.175 1.028 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.839 -0.695 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.815 0.050 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.963 -2.454 2.529 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.493 -2.645 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.173 -0.108 5.339 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.561 0.739 3.822 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.391 -0.782 4.230 1.00 0.00 H new ATOM 131 N VAL A 11 -7.727 0.667 -0.725 1.00 0.00 N ATOM 132 CA VAL A 11 -7.975 1.565 -1.847 1.00 0.00 C ATOM 133 C VAL A 11 -7.183 2.859 -1.701 1.00 0.00 C ATOM 134 O VAL A 11 -7.414 3.639 -0.777 1.00 0.00 O ATOM 135 CB VAL A 11 -9.472 1.903 -1.974 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.936 2.730 -0.784 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.744 2.634 -3.280 1.00 0.00 C ATOM 0 H VAL A 11 -8.085 1.002 0.170 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.650 1.044 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.038 0.971 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.996 2.959 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.778 2.166 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.367 3.658 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.807 2.865 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.169 3.560 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.452 2.002 -4.118 1.00 0.00 H new ATOM 147 N ALA A 12 -6.249 3.082 -2.620 1.00 0.00 N ATOM 148 CA ALA A 12 -5.425 4.283 -2.595 1.00 0.00 C ATOM 149 C ALA A 12 -6.286 5.538 -2.498 1.00 0.00 C ATOM 150 O ALA A 12 -7.198 5.741 -3.299 1.00 0.00 O ATOM 151 CB ALA A 12 -4.541 4.342 -3.833 1.00 0.00 C ATOM 0 H ALA A 12 -6.045 2.446 -3.391 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.791 4.240 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.931 5.244 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.893 3.466 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.166 4.358 -4.726 1.00 0.00 H new ATOM 157 N LEU A 13 -5.990 6.377 -1.511 1.00 0.00 N ATOM 158 CA LEU A 13 -6.738 7.613 -1.308 1.00 0.00 C ATOM 159 C LEU A 13 -6.109 8.764 -2.086 1.00 0.00 C ATOM 160 O LEU A 13 -6.772 9.756 -2.392 1.00 0.00 O ATOM 161 CB LEU A 13 -6.794 7.960 0.181 1.00 0.00 C ATOM 162 CG LEU A 13 -7.466 6.926 1.086 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.180 7.231 2.548 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.966 6.889 0.831 1.00 0.00 C ATOM 0 H LEU A 13 -5.238 6.224 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.752 7.460 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.775 8.117 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.320 8.908 0.293 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.053 5.944 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.666 6.485 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.104 7.206 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.565 8.220 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.428 6.148 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.394 7.870 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.152 6.622 -0.209 1.00 0.00 H new ATOM 176 N TYR A 14 -4.827 8.625 -2.405 1.00 0.00 N ATOM 177 CA TYR A 14 -4.109 9.653 -3.148 1.00 0.00 C ATOM 178 C TYR A 14 -2.959 9.046 -3.946 1.00 0.00 C ATOM 179 O TYR A 14 -2.486 7.951 -3.639 1.00 0.00 O ATOM 180 CB TYR A 14 -3.573 10.722 -2.194 1.00 0.00 C ATOM 181 CG TYR A 14 -4.640 11.343 -1.321 1.00 0.00 C ATOM 182 CD1 TYR A 14 -5.051 10.726 -0.146 1.00 0.00 C ATOM 183 CD2 TYR A 14 -5.237 12.548 -1.671 1.00 0.00 C ATOM 184 CE1 TYR A 14 -6.026 11.290 0.655 1.00 0.00 C ATOM 185 CE2 TYR A 14 -6.212 13.120 -0.876 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.603 12.487 0.285 1.00 0.00 C ATOM 187 OH TYR A 14 -7.573 13.052 1.080 1.00 0.00 O ATOM 0 H TYR A 14 -4.264 7.810 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.808 10.115 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.807 10.278 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.089 11.507 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.601 9.789 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.934 13.046 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.334 10.797 1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.665 14.058 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.875 13.893 0.679 1.00 0.00 H new ATOM 197 N ASP A 15 -2.513 9.765 -4.970 1.00 0.00 N ATOM 198 CA ASP A 15 -1.418 9.299 -5.812 1.00 0.00 C ATOM 199 C ASP A 15 -0.096 9.331 -5.051 1.00 0.00 C ATOM 200 O ASP A 15 0.366 10.393 -4.633 1.00 0.00 O ATOM 201 CB ASP A 15 -1.315 10.158 -7.074 1.00 0.00 C ATOM 202 CG ASP A 15 -2.673 10.492 -7.659 1.00 0.00 C ATOM 203 OD1 ASP A 15 -3.206 9.665 -8.428 1.00 0.00 O ATOM 204 OD2 ASP A 15 -3.202 11.580 -7.350 1.00 0.00 O ATOM 0 H ASP A 15 -2.893 10.673 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.627 8.268 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.787 11.082 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.720 9.632 -7.821 1.00 0.00 H new ATOM 209 N TYR A 16 0.507 8.161 -4.874 1.00 0.00 N ATOM 210 CA TYR A 16 1.774 8.054 -4.160 1.00 0.00 C ATOM 211 C TYR A 16 2.948 8.039 -5.133 1.00 0.00 C ATOM 212 O TYR A 16 2.774 7.809 -6.330 1.00 0.00 O ATOM 213 CB TYR A 16 1.793 6.789 -3.300 1.00 0.00 C ATOM 214 CG TYR A 16 3.083 6.597 -2.535 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.456 7.481 -1.530 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.930 5.533 -2.819 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.634 7.309 -0.829 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.109 5.353 -2.122 1.00 0.00 C ATOM 219 CZ TYR A 16 5.457 6.244 -1.128 1.00 0.00 C ATOM 220 OH TYR A 16 6.632 6.069 -0.433 1.00 0.00 O ATOM 0 H TYR A 16 0.139 7.273 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 16 1.873 8.926 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.964 6.827 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.627 5.922 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.814 8.317 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.662 4.835 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.909 8.005 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.755 4.519 -2.354 1.00 0.00 H new ATOM 0 HH TYR A 16 7.054 5.229 -0.711 1.00 0.00 H new ATOM 230 N ASP A 17 4.144 8.285 -4.611 1.00 0.00 N ATOM 231 CA ASP A 17 5.350 8.298 -5.431 1.00 0.00 C ATOM 232 C ASP A 17 6.601 8.276 -4.560 1.00 0.00 C ATOM 233 O ASP A 17 6.978 9.276 -3.947 1.00 0.00 O ATOM 234 CB ASP A 17 5.364 9.532 -6.335 1.00 0.00 C ATOM 235 CG ASP A 17 4.537 9.339 -7.591 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.031 8.682 -8.532 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.396 9.844 -7.634 1.00 0.00 O ATOM 0 H ASP A 17 4.305 8.478 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 17 5.347 7.402 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.982 10.389 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.392 9.764 -6.613 1.00 0.00 H new ATOM 242 N PRO A 18 7.262 7.110 -4.500 1.00 0.00 N ATOM 243 CA PRO A 18 8.480 6.930 -3.706 1.00 0.00 C ATOM 244 C PRO A 18 9.669 7.686 -4.289 1.00 0.00 C ATOM 245 O PRO A 18 10.784 7.602 -3.773 1.00 0.00 O ATOM 246 CB PRO A 18 8.724 5.420 -3.768 1.00 0.00 C ATOM 247 CG PRO A 18 8.064 4.982 -5.029 1.00 0.00 C ATOM 248 CD PRO A 18 6.870 5.878 -5.205 1.00 0.00 C ATOM 0 HA PRO A 18 8.367 7.316 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.790 5.191 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.298 4.914 -2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.745 5.068 -5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.762 3.937 -4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.661 6.067 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.970 5.438 -4.775 1.00 0.00 H new ATOM 256 N ARG A 19 9.424 8.426 -5.366 1.00 0.00 N ATOM 257 CA ARG A 19 10.476 9.196 -6.019 1.00 0.00 C ATOM 258 C ARG A 19 10.485 10.637 -5.516 1.00 0.00 C ATOM 259 O ARG A 19 11.515 11.310 -5.554 1.00 0.00 O ATOM 260 CB ARG A 19 10.285 9.175 -7.536 1.00 0.00 C ATOM 261 CG ARG A 19 10.203 7.774 -8.120 1.00 0.00 C ATOM 262 CD ARG A 19 10.150 7.807 -9.640 1.00 0.00 C ATOM 263 NE ARG A 19 8.783 7.934 -10.138 1.00 0.00 N ATOM 264 CZ ARG A 19 8.154 9.096 -10.271 1.00 0.00 C ATOM 265 NH1 ARG A 19 8.767 10.226 -9.946 1.00 0.00 N ATOM 266 NH2 ARG A 19 6.910 9.130 -10.731 1.00 0.00 N ATOM 0 H ARG A 19 8.507 8.508 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 19 11.434 8.737 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.374 9.718 -7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.112 9.707 -8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.067 7.193 -7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.317 7.269 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.748 8.642 -10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.598 6.896 -10.038 1.00 0.00 H new ATOM 0 HE ARG A 19 8.284 7.083 -10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.724 10.204 -9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.282 11.117 -10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.436 8.263 -10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.428 10.023 -10.833 1.00 0.00 H new ATOM 280 N GLU A 20 9.332 11.103 -5.047 1.00 0.00 N ATOM 281 CA GLU A 20 9.208 12.464 -4.539 1.00 0.00 C ATOM 282 C GLU A 20 8.739 12.463 -3.087 1.00 0.00 C ATOM 283 O GLU A 20 8.941 13.433 -2.357 1.00 0.00 O ATOM 284 CB GLU A 20 8.232 13.267 -5.401 1.00 0.00 C ATOM 285 CG GLU A 20 6.819 12.710 -5.400 1.00 0.00 C ATOM 286 CD GLU A 20 5.788 13.732 -5.842 1.00 0.00 C ATOM 287 OE1 GLU A 20 5.508 14.667 -5.063 1.00 0.00 O ATOM 288 OE2 GLU A 20 5.263 13.595 -6.966 1.00 0.00 O ATOM 0 H GLU A 20 8.471 10.558 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 20 10.191 12.932 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.208 14.297 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.602 13.293 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.773 11.844 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.571 12.360 -4.398 1.00 0.00 H new ATOM 295 N SER A 21 8.111 11.366 -2.676 1.00 0.00 N ATOM 296 CA SER A 21 7.608 11.238 -1.313 1.00 0.00 C ATOM 297 C SER A 21 8.657 10.605 -0.404 1.00 0.00 C ATOM 298 O SER A 21 9.117 11.223 0.556 1.00 0.00 O ATOM 299 CB SER A 21 6.329 10.400 -1.295 1.00 0.00 C ATOM 300 OG SER A 21 5.321 10.990 -2.098 1.00 0.00 O ATOM 0 H SER A 21 7.938 10.553 -3.267 1.00 0.00 H new ATOM 0 HA SER A 21 7.384 12.237 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.544 9.395 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.970 10.300 -0.271 1.00 0.00 H new ATOM 0 HG SER A 21 5.426 10.693 -3.026 1.00 0.00 H new ATOM 306 N SER A 22 9.031 9.368 -0.715 1.00 0.00 N ATOM 307 CA SER A 22 10.023 8.648 0.075 1.00 0.00 C ATOM 308 C SER A 22 11.403 9.281 -0.078 1.00 0.00 C ATOM 309 O SER A 22 11.741 9.849 -1.116 1.00 0.00 O ATOM 310 CB SER A 22 10.073 7.178 -0.346 1.00 0.00 C ATOM 311 OG SER A 22 9.046 6.432 0.283 1.00 0.00 O ATOM 0 H SER A 22 8.662 8.844 -1.508 1.00 0.00 H new ATOM 0 HA SER A 22 9.730 8.708 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.970 7.103 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.044 6.755 -0.088 1.00 0.00 H new ATOM 0 HG SER A 22 8.179 6.679 -0.102 1.00 0.00 H new ATOM 317 N PRO A 23 12.220 9.180 0.981 1.00 0.00 N ATOM 318 CA PRO A 23 13.577 9.736 0.989 1.00 0.00 C ATOM 319 C PRO A 23 14.520 8.974 0.065 1.00 0.00 C ATOM 320 O PRO A 23 15.732 9.186 0.089 1.00 0.00 O ATOM 321 CB PRO A 23 14.015 9.580 2.448 1.00 0.00 C ATOM 322 CG PRO A 23 13.202 8.444 2.968 1.00 0.00 C ATOM 323 CD PRO A 23 11.882 8.517 2.251 1.00 0.00 C ATOM 0 HA PRO A 23 13.599 10.765 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.082 9.369 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.831 10.492 3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.697 7.491 2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.065 8.523 4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.459 7.526 2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.147 9.087 2.819 1.00 0.00 H new ATOM 331 N ASN A 24 13.957 8.087 -0.748 1.00 0.00 N ATOM 332 CA ASN A 24 14.749 7.293 -1.681 1.00 0.00 C ATOM 333 C ASN A 24 15.503 6.187 -0.949 1.00 0.00 C ATOM 334 O ASN A 24 16.699 5.989 -1.164 1.00 0.00 O ATOM 335 CB ASN A 24 15.737 8.188 -2.433 1.00 0.00 C ATOM 336 CG ASN A 24 15.198 9.588 -2.651 1.00 0.00 C ATOM 337 OD1 ASN A 24 15.831 10.571 -2.021 1.00 0.00 O flip ATOM 338 ND2 ASN A 24 14.223 9.784 -3.378 1.00 0.00 N flip ATOM 0 H ASN A 24 12.955 7.899 -0.780 1.00 0.00 H new ATOM 0 HA ASN A 24 14.069 6.832 -2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.671 8.244 -1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.970 7.737 -3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.767 8.999 -3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.872 10.732 -3.515 1.00 0.00 H new ATOM 345 N VAL A 25 14.795 5.468 -0.084 1.00 0.00 N ATOM 346 CA VAL A 25 15.396 4.380 0.679 1.00 0.00 C ATOM 347 C VAL A 25 14.981 3.023 0.121 1.00 0.00 C ATOM 348 O VAL A 25 13.960 2.463 0.520 1.00 0.00 O ATOM 349 CB VAL A 25 15.004 4.454 2.166 1.00 0.00 C ATOM 350 CG1 VAL A 25 15.833 5.506 2.886 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.518 4.744 2.311 1.00 0.00 C ATOM 0 H VAL A 25 13.804 5.619 0.106 1.00 0.00 H new ATOM 0 HA VAL A 25 16.477 4.490 0.591 1.00 0.00 H new ATOM 0 HB VAL A 25 15.209 3.487 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.541 5.543 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 25 16.890 5.250 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.663 6.480 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.258 4.793 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.285 5.697 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.944 3.950 1.833 1.00 0.00 H new ATOM 361 N ASP A 26 15.779 2.500 -0.803 1.00 0.00 N ATOM 362 CA ASP A 26 15.496 1.207 -1.415 1.00 0.00 C ATOM 363 C ASP A 26 14.145 1.226 -2.123 1.00 0.00 C ATOM 364 O ASP A 26 13.489 0.193 -2.259 1.00 0.00 O ATOM 365 CB ASP A 26 15.516 0.103 -0.357 1.00 0.00 C ATOM 366 CG ASP A 26 16.915 -0.411 -0.083 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.608 0.179 0.772 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.318 -1.405 -0.723 1.00 0.00 O ATOM 0 H ASP A 26 16.627 2.952 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 26 16.271 1.005 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.084 0.483 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.887 -0.724 -0.687 1.00 0.00 H new ATOM 373 N VAL A 27 13.733 2.407 -2.572 1.00 0.00 N ATOM 374 CA VAL A 27 12.460 2.561 -3.266 1.00 0.00 C ATOM 375 C VAL A 27 12.279 1.480 -4.326 1.00 0.00 C ATOM 376 O VAL A 27 11.160 1.199 -4.754 1.00 0.00 O ATOM 377 CB VAL A 27 12.349 3.944 -3.935 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.259 5.040 -2.883 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.529 4.182 -4.865 1.00 0.00 C ATOM 0 H VAL A 27 14.263 3.272 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 27 11.676 2.465 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 27 11.436 3.969 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.181 6.010 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.379 4.876 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.153 5.020 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.434 5.164 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.457 4.138 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.543 3.415 -5.639 1.00 0.00 H new ATOM 389 N GLU A 28 13.387 0.877 -4.744 1.00 0.00 N ATOM 390 CA GLU A 28 13.349 -0.173 -5.755 1.00 0.00 C ATOM 391 C GLU A 28 12.360 -1.268 -5.365 1.00 0.00 C ATOM 392 O GLU A 28 11.943 -2.069 -6.201 1.00 0.00 O ATOM 393 CB GLU A 28 14.742 -0.775 -5.950 1.00 0.00 C ATOM 394 CG GLU A 28 15.727 0.171 -6.617 1.00 0.00 C ATOM 395 CD GLU A 28 16.379 1.123 -5.633 1.00 0.00 C ATOM 396 OE1 GLU A 28 17.072 0.640 -4.712 1.00 0.00 O ATOM 397 OE2 GLU A 28 16.198 2.349 -5.783 1.00 0.00 O ATOM 0 H GLU A 28 14.321 1.097 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 28 13.019 0.273 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.138 -1.074 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.656 -1.680 -6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.499 -0.410 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.210 0.746 -7.385 1.00 0.00 H new ATOM 404 N ALA A 29 11.990 -1.295 -4.089 1.00 0.00 N ATOM 405 CA ALA A 29 11.049 -2.290 -3.588 1.00 0.00 C ATOM 406 C ALA A 29 9.668 -1.680 -3.374 1.00 0.00 C ATOM 407 O ALA A 29 8.656 -2.378 -3.437 1.00 0.00 O ATOM 408 CB ALA A 29 11.566 -2.899 -2.293 1.00 0.00 C ATOM 0 H ALA A 29 12.327 -0.640 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 29 10.957 -3.078 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.854 -3.640 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.528 -3.378 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.687 -2.115 -1.545 1.00 0.00 H new ATOM 414 N GLU A 30 9.635 -0.376 -3.120 1.00 0.00 N ATOM 415 CA GLU A 30 8.376 0.326 -2.896 1.00 0.00 C ATOM 416 C GLU A 30 7.468 0.218 -4.117 1.00 0.00 C ATOM 417 O GLU A 30 7.932 -0.031 -5.230 1.00 0.00 O ATOM 418 CB GLU A 30 8.639 1.798 -2.570 1.00 0.00 C ATOM 419 CG GLU A 30 9.076 2.035 -1.134 1.00 0.00 C ATOM 420 CD GLU A 30 8.862 3.468 -0.689 1.00 0.00 C ATOM 421 OE1 GLU A 30 7.753 3.781 -0.207 1.00 0.00 O ATOM 422 OE2 GLU A 30 9.804 4.277 -0.822 1.00 0.00 O ATOM 0 H GLU A 30 10.464 0.215 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 30 7.874 -0.142 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.408 2.178 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.733 2.372 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.522 1.367 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.131 1.780 -1.032 1.00 0.00 H new ATOM 429 N LEU A 31 6.171 0.406 -3.900 1.00 0.00 N ATOM 430 CA LEU A 31 5.195 0.330 -4.982 1.00 0.00 C ATOM 431 C LEU A 31 4.667 1.716 -5.338 1.00 0.00 C ATOM 432 O LEU A 31 4.324 2.507 -4.458 1.00 0.00 O ATOM 433 CB LEU A 31 4.034 -0.584 -4.585 1.00 0.00 C ATOM 434 CG LEU A 31 4.340 -2.082 -4.553 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.188 -2.849 -3.922 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.623 -2.599 -5.956 1.00 0.00 C ATOM 0 H LEU A 31 5.771 0.612 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 31 5.693 -0.085 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.683 -0.284 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.212 -0.416 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 31 5.230 -2.238 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.424 -3.913 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.033 -2.498 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.281 -2.686 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.839 -3.667 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.752 -2.430 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.482 -2.072 -6.372 1.00 0.00 H new ATOM 448 N THR A 32 4.602 2.004 -6.634 1.00 0.00 N ATOM 449 CA THR A 32 4.115 3.294 -7.107 1.00 0.00 C ATOM 450 C THR A 32 2.708 3.173 -7.681 1.00 0.00 C ATOM 451 O THR A 32 2.530 2.803 -8.842 1.00 0.00 O ATOM 452 CB THR A 32 5.046 3.887 -8.181 1.00 0.00 C ATOM 453 OG1 THR A 32 6.411 3.769 -7.765 1.00 0.00 O ATOM 454 CG2 THR A 32 4.714 5.349 -8.438 1.00 0.00 C ATOM 0 H THR A 32 4.881 1.361 -7.375 1.00 0.00 H new ATOM 0 HA THR A 32 4.097 3.961 -6.245 1.00 0.00 H new ATOM 0 HB THR A 32 4.899 3.329 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.997 4.147 -8.454 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.385 5.746 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.683 5.433 -8.782 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.836 5.917 -7.516 1.00 0.00 H new ATOM 462 N PHE A 33 1.710 3.488 -6.862 1.00 0.00 N ATOM 463 CA PHE A 33 0.318 3.415 -7.289 1.00 0.00 C ATOM 464 C PHE A 33 -0.278 4.811 -7.444 1.00 0.00 C ATOM 465 O PHE A 33 0.408 5.815 -7.251 1.00 0.00 O ATOM 466 CB PHE A 33 -0.504 2.606 -6.283 1.00 0.00 C ATOM 467 CG PHE A 33 -0.226 2.968 -4.853 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.904 2.490 -4.210 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.095 3.787 -4.150 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.163 2.821 -2.893 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.841 4.122 -2.833 1.00 0.00 C ATOM 472 CZ PHE A 33 0.289 3.638 -2.204 1.00 0.00 C ATOM 0 H PHE A 33 1.840 3.796 -5.898 1.00 0.00 H new ATOM 0 HA PHE A 33 0.287 2.917 -8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.564 2.756 -6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.298 1.545 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.591 1.851 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.981 4.168 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.048 2.441 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.526 4.762 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.489 3.898 -1.175 1.00 0.00 H new ATOM 482 N CYS A 34 -1.558 4.865 -7.794 1.00 0.00 N ATOM 483 CA CYS A 34 -2.247 6.138 -7.976 1.00 0.00 C ATOM 484 C CYS A 34 -3.588 6.139 -7.249 1.00 0.00 C ATOM 485 O CYS A 34 -4.070 5.095 -6.808 1.00 0.00 O ATOM 486 CB CYS A 34 -2.461 6.417 -9.465 1.00 0.00 C ATOM 487 SG CYS A 34 -1.072 7.254 -10.265 1.00 0.00 S ATOM 0 H CYS A 34 -2.140 4.043 -7.957 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.623 6.925 -7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.647 5.473 -9.978 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.357 7.027 -9.585 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.346 7.444 -11.522 1.00 0.00 H new ATOM 493 N THR A 35 -4.186 7.320 -7.124 1.00 0.00 N ATOM 494 CA THR A 35 -5.470 7.459 -6.447 1.00 0.00 C ATOM 495 C THR A 35 -6.462 6.408 -6.931 1.00 0.00 C ATOM 496 O THR A 35 -6.716 6.284 -8.128 1.00 0.00 O ATOM 497 CB THR A 35 -6.073 8.859 -6.668 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.064 9.860 -6.493 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.220 9.112 -5.702 1.00 0.00 C ATOM 0 H THR A 35 -3.802 8.194 -7.483 1.00 0.00 H new ATOM 0 HA THR A 35 -5.284 7.316 -5.383 1.00 0.00 H new ATOM 0 HB THR A 35 -6.459 8.908 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.455 10.747 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.630 10.107 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.999 8.366 -5.859 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.854 9.045 -4.677 1.00 0.00 H new ATOM 507 N GLY A 36 -7.022 5.652 -5.990 1.00 0.00 N ATOM 508 CA GLY A 36 -7.982 4.622 -6.341 1.00 0.00 C ATOM 509 C GLY A 36 -7.348 3.249 -6.442 1.00 0.00 C ATOM 510 O GLY A 36 -7.885 2.270 -5.923 1.00 0.00 O ATOM 0 H GLY A 36 -6.828 5.735 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.775 4.599 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.449 4.874 -7.293 1.00 0.00 H new ATOM 514 N ASP A 37 -6.203 3.176 -7.112 1.00 0.00 N ATOM 515 CA ASP A 37 -5.495 1.912 -7.280 1.00 0.00 C ATOM 516 C ASP A 37 -5.628 1.044 -6.032 1.00 0.00 C ATOM 517 O ASP A 37 -5.254 1.458 -4.934 1.00 0.00 O ATOM 518 CB ASP A 37 -4.018 2.167 -7.584 1.00 0.00 C ATOM 519 CG ASP A 37 -3.801 2.731 -8.974 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.104 3.924 -9.185 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.329 1.978 -9.852 1.00 0.00 O ATOM 0 H ASP A 37 -5.745 3.977 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.944 1.381 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.613 2.860 -6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.463 1.234 -7.483 1.00 0.00 H new ATOM 526 N ILE A 38 -6.163 -0.159 -6.209 1.00 0.00 N ATOM 527 CA ILE A 38 -6.346 -1.084 -5.097 1.00 0.00 C ATOM 528 C ILE A 38 -5.091 -1.919 -4.866 1.00 0.00 C ATOM 529 O ILE A 38 -4.463 -2.390 -5.815 1.00 0.00 O ATOM 530 CB ILE A 38 -7.539 -2.027 -5.340 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.810 -1.218 -5.607 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.734 -2.951 -4.147 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.234 -0.355 -4.439 1.00 0.00 C ATOM 0 H ILE A 38 -6.477 -0.516 -7.111 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.546 -0.480 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.328 -2.638 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.650 -0.583 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.621 -1.902 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.581 -3.612 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.834 -3.548 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.927 -2.356 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.141 0.190 -4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.426 -0.986 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.440 0.354 -4.203 1.00 0.00 H new ATOM 545 N ILE A 39 -4.733 -2.100 -3.599 1.00 0.00 N ATOM 546 CA ILE A 39 -3.555 -2.882 -3.243 1.00 0.00 C ATOM 547 C ILE A 39 -3.853 -3.828 -2.086 1.00 0.00 C ATOM 548 O ILE A 39 -4.479 -3.443 -1.098 1.00 0.00 O ATOM 549 CB ILE A 39 -2.372 -1.973 -2.858 1.00 0.00 C ATOM 550 CG1 ILE A 39 -1.932 -1.135 -4.060 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.213 -2.807 -2.334 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.350 0.208 -3.679 1.00 0.00 C ATOM 0 H ILE A 39 -5.241 -1.716 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.284 -3.464 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.695 -1.297 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.191 -1.694 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.788 -0.978 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.385 -2.151 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.534 -3.364 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.888 -3.505 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.060 0.748 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.096 0.786 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.474 0.059 -3.048 1.00 0.00 H new ATOM 564 N THR A 40 -3.398 -5.071 -2.213 1.00 0.00 N ATOM 565 CA THR A 40 -3.614 -6.074 -1.178 1.00 0.00 C ATOM 566 C THR A 40 -2.434 -6.134 -0.215 1.00 0.00 C ATOM 567 O THR A 40 -1.399 -6.726 -0.521 1.00 0.00 O ATOM 568 CB THR A 40 -3.837 -7.471 -1.787 1.00 0.00 C ATOM 569 OG1 THR A 40 -4.856 -7.412 -2.791 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.234 -8.473 -0.713 1.00 0.00 C ATOM 0 H THR A 40 -2.877 -5.407 -3.023 1.00 0.00 H new ATOM 0 HA THR A 40 -4.510 -5.777 -0.632 1.00 0.00 H new ATOM 0 HB THR A 40 -2.901 -7.799 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.990 -8.304 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.386 -9.452 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.443 -8.538 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.158 -8.147 -0.235 1.00 0.00 H new ATOM 578 N VAL A 41 -2.596 -5.517 0.952 1.00 0.00 N ATOM 579 CA VAL A 41 -1.544 -5.502 1.961 1.00 0.00 C ATOM 580 C VAL A 41 -1.572 -6.773 2.803 1.00 0.00 C ATOM 581 O VAL A 41 -2.629 -7.367 3.015 1.00 0.00 O ATOM 582 CB VAL A 41 -1.676 -4.281 2.890 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.428 -2.993 2.119 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.046 -4.260 3.552 1.00 0.00 C ATOM 0 H VAL A 41 -3.446 -5.021 1.221 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.595 -5.443 1.428 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.921 -4.359 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.526 -2.141 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.423 -3.009 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.158 -2.905 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.121 -3.390 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.820 -4.207 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.180 -5.168 4.140 1.00 0.00 H new ATOM 594 N PHE A 42 -0.402 -7.185 3.281 1.00 0.00 N ATOM 595 CA PHE A 42 -0.292 -8.386 4.100 1.00 0.00 C ATOM 596 C PHE A 42 0.512 -8.109 5.367 1.00 0.00 C ATOM 597 O PHE A 42 1.660 -7.671 5.303 1.00 0.00 O ATOM 598 CB PHE A 42 0.366 -9.514 3.302 1.00 0.00 C ATOM 599 CG PHE A 42 -0.255 -9.735 1.952 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.477 -10.378 1.834 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.382 -9.298 0.802 1.00 0.00 C ATOM 602 CE1 PHE A 42 -2.050 -10.583 0.593 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.186 -9.500 -0.442 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.405 -10.142 -0.546 1.00 0.00 C ATOM 0 H PHE A 42 0.483 -6.705 3.115 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.298 -8.692 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.424 -9.288 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.305 -10.438 3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.987 -10.723 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.334 -8.793 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.002 -11.088 0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.322 -9.157 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.853 -10.299 -1.516 1.00 0.00 H new ATOM 614 N GLY A 43 -0.101 -8.366 6.518 1.00 0.00 N ATOM 615 CA GLY A 43 0.571 -8.138 7.784 1.00 0.00 C ATOM 616 C GLY A 43 0.308 -6.752 8.338 1.00 0.00 C ATOM 617 O GLY A 43 -0.390 -5.951 7.717 1.00 0.00 O ATOM 0 H GLY A 43 -1.051 -8.728 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.240 -8.884 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.644 -8.276 7.652 1.00 0.00 H new ATOM 621 N GLU A 44 0.866 -6.469 9.511 1.00 0.00 N ATOM 622 CA GLU A 44 0.685 -5.171 10.149 1.00 0.00 C ATOM 623 C GLU A 44 1.756 -4.185 9.690 1.00 0.00 C ATOM 624 O GLU A 44 2.683 -4.552 8.968 1.00 0.00 O ATOM 625 CB GLU A 44 0.729 -5.316 11.672 1.00 0.00 C ATOM 626 CG GLU A 44 1.987 -5.997 12.183 1.00 0.00 C ATOM 627 CD GLU A 44 2.058 -6.033 13.697 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.840 -4.977 14.327 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.331 -7.117 14.252 1.00 0.00 O ATOM 0 H GLU A 44 1.447 -7.121 10.038 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.291 -4.784 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.652 -4.328 12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.141 -5.886 11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.026 -7.016 11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.861 -5.475 11.794 1.00 0.00 H new ATOM 636 N ILE A 45 1.619 -2.933 10.114 1.00 0.00 N ATOM 637 CA ILE A 45 2.574 -1.895 9.747 1.00 0.00 C ATOM 638 C ILE A 45 3.959 -2.199 10.308 1.00 0.00 C ATOM 639 O ILE A 45 4.122 -2.405 11.511 1.00 0.00 O ATOM 640 CB ILE A 45 2.122 -0.511 10.250 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.779 -0.130 9.623 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.177 0.538 9.934 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.213 1.170 10.150 1.00 0.00 C ATOM 0 H ILE A 45 0.857 -2.613 10.711 1.00 0.00 H new ATOM 0 HA ILE A 45 2.621 -1.880 8.658 1.00 0.00 H new ATOM 0 HB ILE A 45 1.997 -0.557 11.332 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.901 -0.052 8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.062 -0.930 9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.843 1.510 10.296 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.114 0.271 10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.332 0.585 8.856 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.739 1.377 9.661 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.059 1.090 11.226 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.911 1.981 9.943 1.00 0.00 H new ATOM 655 N ASP A 46 4.955 -2.224 9.429 1.00 0.00 N ATOM 656 CA ASP A 46 6.328 -2.500 9.836 1.00 0.00 C ATOM 657 C ASP A 46 6.812 -1.467 10.849 1.00 0.00 C ATOM 658 O ASP A 46 6.101 -0.514 11.166 1.00 0.00 O ATOM 659 CB ASP A 46 7.252 -2.508 8.617 1.00 0.00 C ATOM 660 CG ASP A 46 6.646 -3.242 7.437 1.00 0.00 C ATOM 661 OD1 ASP A 46 6.591 -4.489 7.479 1.00 0.00 O ATOM 662 OD2 ASP A 46 6.228 -2.570 6.471 1.00 0.00 O ATOM 0 H ASP A 46 4.837 -2.056 8.430 1.00 0.00 H new ATOM 0 HA ASP A 46 6.351 -3.483 10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.475 -1.481 8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.199 -2.976 8.885 1.00 0.00 H new ATOM 667 N GLU A 47 8.025 -1.666 11.355 1.00 0.00 N ATOM 668 CA GLU A 47 8.603 -0.753 12.334 1.00 0.00 C ATOM 669 C GLU A 47 8.688 0.664 11.773 1.00 0.00 C ATOM 670 O GLU A 47 8.457 1.641 12.486 1.00 0.00 O ATOM 671 CB GLU A 47 9.995 -1.232 12.753 1.00 0.00 C ATOM 672 CG GLU A 47 9.978 -2.197 13.926 1.00 0.00 C ATOM 673 CD GLU A 47 11.271 -2.978 14.056 1.00 0.00 C ATOM 674 OE1 GLU A 47 12.313 -2.357 14.352 1.00 0.00 O ATOM 675 OE2 GLU A 47 11.241 -4.212 13.863 1.00 0.00 O ATOM 0 H GLU A 47 8.626 -2.451 11.103 1.00 0.00 H new ATOM 0 HA GLU A 47 7.953 -0.741 13.209 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.475 -1.716 11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.605 -0.367 13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.799 -1.641 14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.148 -2.893 13.807 1.00 0.00 H new ATOM 682 N ASP A 48 9.022 0.767 10.491 1.00 0.00 N ATOM 683 CA ASP A 48 9.138 2.063 9.833 1.00 0.00 C ATOM 684 C ASP A 48 7.785 2.765 9.773 1.00 0.00 C ATOM 685 O ASP A 48 7.610 3.847 10.331 1.00 0.00 O ATOM 686 CB ASP A 48 9.702 1.894 8.421 1.00 0.00 C ATOM 687 CG ASP A 48 11.190 1.603 8.423 1.00 0.00 C ATOM 688 OD1 ASP A 48 11.983 2.567 8.431 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.561 0.411 8.418 1.00 0.00 O ATOM 0 H ASP A 48 9.217 -0.032 9.887 1.00 0.00 H new ATOM 0 HA ASP A 48 9.821 2.679 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.177 1.082 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.513 2.801 7.846 1.00 0.00 H new ATOM 694 N GLY A 49 6.829 2.140 9.090 1.00 0.00 N ATOM 695 CA GLY A 49 5.505 2.720 8.968 1.00 0.00 C ATOM 696 C GLY A 49 4.903 2.508 7.593 1.00 0.00 C ATOM 697 O GLY A 49 4.276 3.410 7.036 1.00 0.00 O ATOM 0 H GLY A 49 6.949 1.243 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.849 2.281 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.559 3.788 9.177 1.00 0.00 H new ATOM 701 N PHE A 50 5.096 1.315 7.042 1.00 0.00 N ATOM 702 CA PHE A 50 4.571 0.988 5.722 1.00 0.00 C ATOM 703 C PHE A 50 3.909 -0.387 5.724 1.00 0.00 C ATOM 704 O PHE A 50 3.957 -1.109 6.720 1.00 0.00 O ATOM 705 CB PHE A 50 5.690 1.026 4.680 1.00 0.00 C ATOM 706 CG PHE A 50 6.159 2.415 4.353 1.00 0.00 C ATOM 707 CD1 PHE A 50 6.932 3.129 5.254 1.00 0.00 C ATOM 708 CD2 PHE A 50 5.825 3.007 3.146 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.365 4.408 4.957 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.256 4.285 2.843 1.00 0.00 C ATOM 711 CZ PHE A 50 7.026 4.987 3.750 1.00 0.00 C ATOM 0 H PHE A 50 5.613 0.558 7.489 1.00 0.00 H new ATOM 0 HA PHE A 50 3.819 1.733 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.535 0.442 5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.341 0.545 3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.200 2.681 6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.221 2.464 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.968 4.954 5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.991 4.735 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.362 5.986 3.516 1.00 0.00 H new ATOM 721 N TYR A 51 3.292 -0.742 4.603 1.00 0.00 N ATOM 722 CA TYR A 51 2.618 -2.029 4.475 1.00 0.00 C ATOM 723 C TYR A 51 3.229 -2.854 3.347 1.00 0.00 C ATOM 724 O TYR A 51 3.837 -2.311 2.424 1.00 0.00 O ATOM 725 CB TYR A 51 1.124 -1.822 4.221 1.00 0.00 C ATOM 726 CG TYR A 51 0.298 -1.761 5.486 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.494 -2.677 6.512 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.680 -0.788 5.654 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.259 -2.625 7.669 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.437 -0.728 6.808 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.223 -1.649 7.812 1.00 0.00 C ATOM 732 OH TYR A 51 -1.976 -1.593 8.963 1.00 0.00 O ATOM 0 H TYR A 51 3.244 -0.157 3.769 1.00 0.00 H new ATOM 0 HA TYR A 51 2.748 -2.574 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.984 -0.898 3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.755 -2.634 3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.248 -3.443 6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.851 -0.066 4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.094 -3.345 8.457 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.192 0.036 6.923 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.609 -0.847 8.904 1.00 0.00 H new ATOM 742 N TYR A 52 3.061 -4.169 3.428 1.00 0.00 N ATOM 743 CA TYR A 52 3.596 -5.072 2.415 1.00 0.00 C ATOM 744 C TYR A 52 2.471 -5.741 1.632 1.00 0.00 C ATOM 745 O TYR A 52 1.902 -6.740 2.072 1.00 0.00 O ATOM 746 CB TYR A 52 4.482 -6.135 3.066 1.00 0.00 C ATOM 747 CG TYR A 52 5.611 -6.609 2.179 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.376 -6.979 0.860 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.913 -6.686 2.659 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.405 -7.413 0.047 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.948 -7.118 1.852 1.00 0.00 C ATOM 752 CZ TYR A 52 7.688 -7.481 0.547 1.00 0.00 C ATOM 753 OH TYR A 52 8.716 -7.911 -0.261 1.00 0.00 O ATOM 0 H TYR A 52 2.559 -4.634 4.184 1.00 0.00 H new ATOM 0 HA TYR A 52 4.196 -4.484 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.901 -5.732 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.865 -6.990 3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.372 -6.926 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.119 -6.403 3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.205 -7.698 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.954 -7.171 2.241 1.00 0.00 H new ATOM 0 HH TYR A 52 9.556 -7.899 0.244 1.00 0.00 H new ATOM 763 N GLY A 53 2.155 -5.182 0.468 1.00 0.00 N ATOM 764 CA GLY A 53 1.099 -5.737 -0.359 1.00 0.00 C ATOM 765 C GLY A 53 1.553 -5.996 -1.782 1.00 0.00 C ATOM 766 O GLY A 53 2.731 -5.842 -2.102 1.00 0.00 O ATOM 0 H GLY A 53 2.611 -4.355 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.748 -6.670 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.252 -5.051 -0.370 1.00 0.00 H new ATOM 770 N GLU A 54 0.616 -6.392 -2.638 1.00 0.00 N ATOM 771 CA GLU A 54 0.927 -6.674 -4.034 1.00 0.00 C ATOM 772 C GLU A 54 0.042 -5.852 -4.966 1.00 0.00 C ATOM 773 O GLU A 54 -1.096 -5.522 -4.630 1.00 0.00 O ATOM 774 CB GLU A 54 0.750 -8.165 -4.328 1.00 0.00 C ATOM 775 CG GLU A 54 1.588 -8.660 -5.494 1.00 0.00 C ATOM 776 CD GLU A 54 1.299 -10.106 -5.848 1.00 0.00 C ATOM 777 OE1 GLU A 54 1.105 -10.916 -4.918 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.268 -10.428 -7.054 1.00 0.00 O ATOM 0 H GLU A 54 -0.364 -6.525 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 54 1.966 -6.397 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.010 -8.736 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.301 -8.363 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.399 -8.032 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.645 -8.554 -5.248 1.00 0.00 H new ATOM 785 N LEU A 55 0.573 -5.525 -6.140 1.00 0.00 N ATOM 786 CA LEU A 55 -0.168 -4.740 -7.122 1.00 0.00 C ATOM 787 C LEU A 55 0.287 -5.073 -8.539 1.00 0.00 C ATOM 788 O LEU A 55 1.478 -5.243 -8.795 1.00 0.00 O ATOM 789 CB LEU A 55 0.015 -3.246 -6.853 1.00 0.00 C ATOM 790 CG LEU A 55 -0.582 -2.298 -7.894 1.00 0.00 C ATOM 791 CD1 LEU A 55 -2.101 -2.303 -7.811 1.00 0.00 C ATOM 792 CD2 LEU A 55 -0.040 -0.889 -7.706 1.00 0.00 C ATOM 0 H LEU A 55 1.513 -5.791 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.225 -4.992 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.428 -3.015 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.082 -3.040 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.291 -2.648 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.508 -1.623 -8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.472 -3.311 -7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.412 -1.979 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.476 -0.228 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.299 -0.529 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.044 -0.898 -7.817 1.00 0.00 H new ATOM 804 N ASN A 56 -0.670 -5.162 -9.457 1.00 0.00 N ATOM 805 CA ASN A 56 -0.367 -5.472 -10.849 1.00 0.00 C ATOM 806 C ASN A 56 0.723 -6.535 -10.945 1.00 0.00 C ATOM 807 O ASN A 56 1.602 -6.462 -11.803 1.00 0.00 O ATOM 808 CB ASN A 56 0.071 -4.208 -11.592 1.00 0.00 C ATOM 809 CG ASN A 56 -0.991 -3.125 -11.566 1.00 0.00 C ATOM 810 OD1 ASN A 56 -2.173 -3.394 -11.780 1.00 0.00 O ATOM 811 ND2 ASN A 56 -0.573 -1.893 -11.303 1.00 0.00 N ATOM 0 H ASN A 56 -1.662 -5.024 -9.262 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.273 -5.862 -11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.988 -3.825 -11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.304 -4.460 -12.627 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.242 -1.123 -11.272 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.417 -1.716 -11.132 1.00 0.00 H new ATOM 818 N GLY A 57 0.658 -7.523 -10.058 1.00 0.00 N ATOM 819 CA GLY A 57 1.645 -8.588 -10.060 1.00 0.00 C ATOM 820 C GLY A 57 3.003 -8.120 -9.576 1.00 0.00 C ATOM 821 O GLY A 57 4.034 -8.562 -10.082 1.00 0.00 O ATOM 0 H GLY A 57 -0.060 -7.605 -9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.297 -9.403 -9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.741 -8.989 -11.069 1.00 0.00 H new ATOM 825 N GLN A 58 3.003 -7.222 -8.595 1.00 0.00 N ATOM 826 CA GLN A 58 4.246 -6.693 -8.046 1.00 0.00 C ATOM 827 C GLN A 58 4.171 -6.597 -6.525 1.00 0.00 C ATOM 828 O GLN A 58 3.229 -6.026 -5.974 1.00 0.00 O ATOM 829 CB GLN A 58 4.546 -5.317 -8.642 1.00 0.00 C ATOM 830 CG GLN A 58 5.146 -5.376 -10.037 1.00 0.00 C ATOM 831 CD GLN A 58 5.905 -4.115 -10.400 1.00 0.00 C ATOM 832 OE1 GLN A 58 5.311 -3.056 -10.606 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.227 -4.222 -10.480 1.00 0.00 N ATOM 0 H GLN A 58 2.158 -6.847 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 58 5.052 -7.378 -8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.624 -4.736 -8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.233 -4.786 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.818 -6.232 -10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.350 -5.538 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.678 -5.119 -10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.791 -3.407 -10.720 1.00 0.00 H new ATOM 842 N LYS A 59 5.169 -7.159 -5.852 1.00 0.00 N ATOM 843 CA LYS A 59 5.218 -7.136 -4.395 1.00 0.00 C ATOM 844 C LYS A 59 6.203 -6.082 -3.900 1.00 0.00 C ATOM 845 O LYS A 59 7.363 -6.063 -4.309 1.00 0.00 O ATOM 846 CB LYS A 59 5.613 -8.513 -3.856 1.00 0.00 C ATOM 847 CG LYS A 59 4.508 -9.549 -3.966 1.00 0.00 C ATOM 848 CD LYS A 59 4.925 -10.876 -3.354 1.00 0.00 C ATOM 849 CE LYS A 59 3.913 -11.971 -3.653 1.00 0.00 C ATOM 850 NZ LYS A 59 4.070 -12.509 -5.033 1.00 0.00 N ATOM 0 H LYS A 59 5.955 -7.636 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 59 4.225 -6.880 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.489 -8.869 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.905 -8.415 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.612 -9.182 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.249 -9.696 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.901 -11.166 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.032 -10.763 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.030 -12.780 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.904 -11.577 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.362 -13.253 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.934 -11.742 -5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.024 -12.908 -5.144 1.00 0.00 H new ATOM 864 N GLY A 60 5.733 -5.208 -3.015 1.00 0.00 N ATOM 865 CA GLY A 60 6.587 -4.164 -2.478 1.00 0.00 C ATOM 866 C GLY A 60 6.027 -3.553 -1.209 1.00 0.00 C ATOM 867 O GLY A 60 5.336 -4.223 -0.441 1.00 0.00 O ATOM 0 H GLY A 60 4.777 -5.204 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.575 -4.576 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.716 -3.383 -3.227 1.00 0.00 H new ATOM 871 N LEU A 61 6.326 -2.278 -0.987 1.00 0.00 N ATOM 872 CA LEU A 61 5.849 -1.575 0.199 1.00 0.00 C ATOM 873 C LEU A 61 4.845 -0.490 -0.178 1.00 0.00 C ATOM 874 O LEU A 61 4.921 0.092 -1.260 1.00 0.00 O ATOM 875 CB LEU A 61 7.024 -0.958 0.958 1.00 0.00 C ATOM 876 CG LEU A 61 7.948 -1.940 1.679 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.208 -1.235 2.158 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.224 -2.594 2.846 1.00 0.00 C ATOM 0 H LEU A 61 6.897 -1.710 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 61 5.349 -2.298 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.621 -0.379 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.628 -0.257 1.693 1.00 0.00 H new ATOM 0 HG LEU A 61 8.239 -2.719 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.853 -1.950 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.737 -0.815 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.938 -0.434 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.897 -3.290 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.903 -1.827 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.352 -3.134 2.477 1.00 0.00 H new ATOM 890 N VAL A 62 3.907 -0.220 0.724 1.00 0.00 N ATOM 891 CA VAL A 62 2.890 0.798 0.489 1.00 0.00 C ATOM 892 C VAL A 62 2.561 1.554 1.771 1.00 0.00 C ATOM 893 O VAL A 62 2.285 0.964 2.816 1.00 0.00 O ATOM 894 CB VAL A 62 1.597 0.180 -0.076 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.756 -0.130 -1.556 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.221 -1.071 0.703 1.00 0.00 C ATOM 0 H VAL A 62 3.830 -0.692 1.625 1.00 0.00 H new ATOM 0 HA VAL A 62 3.302 1.493 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 62 0.790 0.904 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.833 -0.566 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.975 0.790 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.575 -0.836 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.305 -1.495 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.026 -1.802 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.062 -0.814 1.750 1.00 0.00 H new ATOM 906 N PRO A 63 2.591 2.893 1.693 1.00 0.00 N ATOM 907 CA PRO A 63 2.297 3.759 2.839 1.00 0.00 C ATOM 908 C PRO A 63 0.825 3.716 3.236 1.00 0.00 C ATOM 909 O PRO A 63 -0.042 4.169 2.489 1.00 0.00 O ATOM 910 CB PRO A 63 2.675 5.154 2.335 1.00 0.00 C ATOM 911 CG PRO A 63 2.537 5.072 0.854 1.00 0.00 C ATOM 912 CD PRO A 63 2.912 3.664 0.481 1.00 0.00 C ATOM 0 HA PRO A 63 2.841 3.452 3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.018 5.917 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.693 5.417 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.517 5.300 0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.189 5.793 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.345 3.312 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.968 3.585 0.222 1.00 0.00 H new ATOM 920 N SER A 64 0.551 3.170 4.416 1.00 0.00 N ATOM 921 CA SER A 64 -0.817 3.066 4.911 1.00 0.00 C ATOM 922 C SER A 64 -1.487 4.436 4.949 1.00 0.00 C ATOM 923 O SER A 64 -2.710 4.539 5.027 1.00 0.00 O ATOM 924 CB SER A 64 -0.830 2.440 6.307 1.00 0.00 C ATOM 925 OG SER A 64 -2.156 2.285 6.783 1.00 0.00 O ATOM 0 H SER A 64 1.258 2.793 5.047 1.00 0.00 H new ATOM 0 HA SER A 64 -1.377 2.427 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.334 1.470 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.264 3.067 6.996 1.00 0.00 H new ATOM 0 HG SER A 64 -2.138 1.882 7.676 1.00 0.00 H new ATOM 931 N ASN A 65 -0.675 5.487 4.893 1.00 0.00 N ATOM 932 CA ASN A 65 -1.187 6.852 4.921 1.00 0.00 C ATOM 933 C ASN A 65 -1.729 7.258 3.554 1.00 0.00 C ATOM 934 O ASN A 65 -2.150 8.398 3.355 1.00 0.00 O ATOM 935 CB ASN A 65 -0.088 7.823 5.356 1.00 0.00 C ATOM 936 CG ASN A 65 0.386 7.562 6.773 1.00 0.00 C ATOM 937 OD1 ASN A 65 -0.420 7.362 7.682 1.00 0.00 O ATOM 938 ND2 ASN A 65 1.700 7.564 6.967 1.00 0.00 N ATOM 0 H ASN A 65 0.341 5.419 4.828 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.003 6.892 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.757 7.741 4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.460 8.845 5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.078 7.395 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.331 7.734 6.184 1.00 0.00 H new ATOM 945 N PHE A 66 -1.714 6.318 2.615 1.00 0.00 N ATOM 946 CA PHE A 66 -2.203 6.578 1.266 1.00 0.00 C ATOM 947 C PHE A 66 -3.215 5.518 0.840 1.00 0.00 C ATOM 948 O PHE A 66 -3.624 5.463 -0.320 1.00 0.00 O ATOM 949 CB PHE A 66 -1.037 6.612 0.276 1.00 0.00 C ATOM 950 CG PHE A 66 -0.157 7.819 0.427 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.584 8.013 1.582 1.00 0.00 C ATOM 952 CD2 PHE A 66 -0.071 8.762 -0.585 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.395 9.123 1.725 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.739 9.873 -0.448 1.00 0.00 C ATOM 955 CZ PHE A 66 1.472 10.055 0.709 1.00 0.00 C ATOM 0 H PHE A 66 -1.369 5.370 2.763 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.699 7.549 1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.434 5.714 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.432 6.585 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.527 7.288 2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.643 8.627 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.968 9.261 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.799 10.599 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.104 10.924 0.818 1.00 0.00 H new ATOM 965 N LEU A 67 -3.616 4.677 1.788 1.00 0.00 N ATOM 966 CA LEU A 67 -4.580 3.618 1.513 1.00 0.00 C ATOM 967 C LEU A 67 -5.747 3.676 2.493 1.00 0.00 C ATOM 968 O LEU A 67 -5.718 4.434 3.462 1.00 0.00 O ATOM 969 CB LEU A 67 -3.900 2.250 1.592 1.00 0.00 C ATOM 970 CG LEU A 67 -2.443 2.197 1.132 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.726 1.015 1.766 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.364 2.119 -0.385 1.00 0.00 C ATOM 0 H LEU A 67 -3.288 4.708 2.753 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.968 3.766 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.947 1.902 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.475 1.545 0.992 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.947 3.113 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.690 0.993 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.751 1.114 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.223 0.089 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.319 2.082 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.876 1.221 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.840 2.998 -0.820 1.00 0.00 H new ATOM 984 N GLU A 68 -6.771 2.868 2.235 1.00 0.00 N ATOM 985 CA GLU A 68 -7.947 2.827 3.096 1.00 0.00 C ATOM 986 C GLU A 68 -8.682 1.498 2.950 1.00 0.00 C ATOM 987 O GLU A 68 -9.003 1.074 1.841 1.00 0.00 O ATOM 988 CB GLU A 68 -8.891 3.984 2.763 1.00 0.00 C ATOM 989 CG GLU A 68 -10.108 4.058 3.670 1.00 0.00 C ATOM 990 CD GLU A 68 -9.764 4.528 5.070 1.00 0.00 C ATOM 991 OE1 GLU A 68 -9.056 5.549 5.195 1.00 0.00 O ATOM 992 OE2 GLU A 68 -10.204 3.877 6.040 1.00 0.00 O ATOM 0 H GLU A 68 -6.810 2.234 1.437 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.613 2.926 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.340 4.922 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.224 3.884 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.841 4.736 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.576 3.075 3.725 1.00 0.00 H new ATOM 999 N GLU A 69 -8.945 0.847 4.079 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.641 -0.435 4.077 1.00 0.00 C ATOM 1001 C GLU A 69 -10.917 -0.359 3.244 1.00 0.00 C ATOM 1002 O GLU A 69 -11.765 0.506 3.464 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.977 -0.861 5.507 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.806 -2.131 5.585 1.00 0.00 C ATOM 1005 CD GLU A 69 -11.562 -2.255 6.894 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -11.054 -1.762 7.922 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -12.663 -2.846 6.888 1.00 0.00 O ATOM 0 H GLU A 69 -8.687 1.186 5.006 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.980 -1.178 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.050 -1.008 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.518 -0.053 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.515 -2.149 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.153 -2.995 5.464 1.00 0.00 H new ATOM 1014 N VAL A 70 -11.046 -1.271 2.285 1.00 0.00 N ATOM 1015 CA VAL A 70 -12.218 -1.309 1.419 1.00 0.00 C ATOM 1016 C VAL A 70 -13.345 -2.116 2.053 1.00 0.00 C ATOM 1017 O VAL A 70 -13.103 -3.134 2.702 1.00 0.00 O ATOM 1018 CB VAL A 70 -11.880 -1.913 0.043 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -13.151 -2.287 -0.703 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -11.039 -0.943 -0.773 1.00 0.00 C ATOM 0 H VAL A 70 -10.353 -1.993 2.089 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.545 -0.278 1.285 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.298 -2.821 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.892 -2.712 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.711 -3.021 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.763 -1.397 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.810 -1.386 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.593 -0.016 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.111 -0.731 -0.242 1.00 0.00 H new ATOM 1030 N SER A 71 -14.577 -1.656 1.861 1.00 0.00 N ATOM 1031 CA SER A 71 -15.742 -2.333 2.418 1.00 0.00 C ATOM 1032 C SER A 71 -16.890 -2.353 1.413 1.00 0.00 C ATOM 1033 O SER A 71 -17.545 -1.338 1.183 1.00 0.00 O ATOM 1034 CB SER A 71 -16.190 -1.645 3.708 1.00 0.00 C ATOM 1035 OG SER A 71 -16.845 -2.558 4.572 1.00 0.00 O ATOM 0 H SER A 71 -14.794 -0.817 1.324 1.00 0.00 H new ATOM 0 HA SER A 71 -15.461 -3.362 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.325 -1.217 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.861 -0.820 3.470 1.00 0.00 H new ATOM 0 HG SER A 71 -17.120 -2.094 5.390 1.00 0.00 H new ATOM 1041 N GLY A 72 -17.127 -3.518 0.818 1.00 0.00 N ATOM 1042 CA GLY A 72 -18.196 -3.650 -0.155 1.00 0.00 C ATOM 1043 C GLY A 72 -19.498 -4.107 0.472 1.00 0.00 C ATOM 1044 O GLY A 72 -19.523 -4.646 1.579 1.00 0.00 O ATOM 0 H GLY A 72 -16.598 -4.373 0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -18.352 -2.692 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.897 -4.362 -0.924 1.00 0.00 H new ATOM 1048 N PRO A 73 -20.612 -3.891 -0.243 1.00 0.00 N ATOM 1049 CA PRO A 73 -21.944 -4.277 0.231 1.00 0.00 C ATOM 1050 C PRO A 73 -22.136 -5.789 0.255 1.00 0.00 C ATOM 1051 O PRO A 73 -21.981 -6.461 -0.765 1.00 0.00 O ATOM 1052 CB PRO A 73 -22.884 -3.635 -0.793 1.00 0.00 C ATOM 1053 CG PRO A 73 -22.065 -3.506 -2.030 1.00 0.00 C ATOM 1054 CD PRO A 73 -20.656 -3.255 -1.570 1.00 0.00 C ATOM 0 HA PRO A 73 -22.121 -3.952 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -23.765 -4.254 -0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -23.239 -2.663 -0.450 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -22.123 -4.412 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -22.424 -2.686 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.927 -3.694 -2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.436 -2.189 -1.512 1.00 0.00 H new ATOM 1062 N SER A 74 -22.473 -6.320 1.427 1.00 0.00 N ATOM 1063 CA SER A 74 -22.682 -7.754 1.584 1.00 0.00 C ATOM 1064 C SER A 74 -23.387 -8.338 0.363 1.00 0.00 C ATOM 1065 O SER A 74 -24.574 -8.095 0.143 1.00 0.00 O ATOM 1066 CB SER A 74 -23.503 -8.036 2.844 1.00 0.00 C ATOM 1067 OG SER A 74 -23.465 -9.412 3.181 1.00 0.00 O ATOM 0 H SER A 74 -22.607 -5.778 2.281 1.00 0.00 H new ATOM 0 HA SER A 74 -21.706 -8.230 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.116 -7.445 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.536 -7.726 2.686 1.00 0.00 H new ATOM 0 HG SER A 74 -23.996 -9.565 3.990 1.00 0.00 H new ATOM 1073 N SER A 75 -22.647 -9.108 -0.427 1.00 0.00 N ATOM 1074 CA SER A 75 -23.198 -9.724 -1.629 1.00 0.00 C ATOM 1075 C SER A 75 -24.276 -10.743 -1.271 1.00 0.00 C ATOM 1076 O SER A 75 -24.252 -11.336 -0.193 1.00 0.00 O ATOM 1077 CB SER A 75 -22.089 -10.400 -2.436 1.00 0.00 C ATOM 1078 OG SER A 75 -21.310 -9.443 -3.133 1.00 0.00 O ATOM 0 H SER A 75 -21.664 -9.321 -0.257 1.00 0.00 H new ATOM 0 HA SER A 75 -23.651 -8.939 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 75 -21.450 -10.978 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 75 -22.527 -11.103 -3.145 1.00 0.00 H new ATOM 0 HG SER A 75 -20.607 -9.900 -3.640 1.00 0.00 H new ATOM 1084 N GLY A 76 -25.221 -10.942 -2.185 1.00 0.00 N ATOM 1085 CA GLY A 76 -26.294 -11.889 -1.948 1.00 0.00 C ATOM 1086 C GLY A 76 -26.987 -12.312 -3.229 1.00 0.00 C ATOM 1087 O GLY A 76 -27.915 -13.120 -3.202 1.00 0.00 O ATOM 0 H GLY A 76 -25.262 -10.464 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -25.893 -12.770 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -27.025 -11.444 -1.273 1.00 0.00 H new TER 1091 GLY A 76