USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=20 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.05 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0331 USER MOD Single : A 10 MET CE :methyl -123:sc= -0.185 (180deg=-0.528) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 131:sc= 0.456 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 174:sc= -0.825 USER MOD Single : A 24 ASN : amide:sc= -2.13! C(o=-2.1!,f=-2.6!) 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= 0.253 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.564) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.326 K(o=-0.33,f=-0.88) 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 3.808 -18.902 12.066 1.00 0.00 N ATOM 2 CA GLY A 1 2.495 -19.486 11.864 1.00 0.00 C ATOM 3 C GLY A 1 1.789 -18.920 10.648 1.00 0.00 C ATOM 4 O GLY A 1 2.114 -19.270 9.514 1.00 0.00 O ATOM 0 H1 GLY A 1 4.249 -19.322 12.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.403 -19.090 11.234 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.714 -17.875 12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.594 -20.566 11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.883 -19.312 12.749 1.00 0.00 H new ATOM 8 N SER A 2 0.819 -18.043 10.884 1.00 0.00 N ATOM 9 CA SER A 2 0.061 -17.431 9.799 1.00 0.00 C ATOM 10 C SER A 2 0.164 -15.909 9.855 1.00 0.00 C ATOM 11 O SER A 2 0.131 -15.313 10.931 1.00 0.00 O ATOM 12 CB SER A 2 -1.407 -17.856 9.871 1.00 0.00 C ATOM 13 OG SER A 2 -2.007 -17.417 11.077 1.00 0.00 O ATOM 0 H SER A 2 0.539 -17.740 11.817 1.00 0.00 H new ATOM 0 HA SER A 2 0.485 -17.773 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.950 -17.444 9.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.478 -18.941 9.800 1.00 0.00 H new ATOM 0 HG SER A 2 -2.945 -17.700 11.098 1.00 0.00 H new ATOM 19 N SER A 3 0.290 -15.288 8.687 1.00 0.00 N ATOM 20 CA SER A 3 0.402 -13.837 8.601 1.00 0.00 C ATOM 21 C SER A 3 -0.819 -13.237 7.910 1.00 0.00 C ATOM 22 O SER A 3 -1.546 -12.435 8.494 1.00 0.00 O ATOM 23 CB SER A 3 1.673 -13.446 7.845 1.00 0.00 C ATOM 24 OG SER A 3 2.832 -13.780 8.589 1.00 0.00 O ATOM 0 H SER A 3 0.317 -15.767 7.787 1.00 0.00 H new ATOM 0 HA SER A 3 0.455 -13.441 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.697 -13.954 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.664 -12.375 7.641 1.00 0.00 H new ATOM 0 HG SER A 3 3.631 -13.522 8.084 1.00 0.00 H new ATOM 30 N GLY A 4 -1.038 -13.634 6.660 1.00 0.00 N ATOM 31 CA GLY A 4 -2.171 -13.126 5.908 1.00 0.00 C ATOM 32 C GLY A 4 -2.021 -13.344 4.416 1.00 0.00 C ATOM 33 O GLY A 4 -1.498 -12.486 3.705 1.00 0.00 O ATOM 0 H GLY A 4 -0.451 -14.298 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.082 -13.615 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.287 -12.060 6.107 1.00 0.00 H new ATOM 37 N SER A 5 -2.481 -14.497 3.939 1.00 0.00 N ATOM 38 CA SER A 5 -2.390 -14.828 2.521 1.00 0.00 C ATOM 39 C SER A 5 -3.357 -13.978 1.702 1.00 0.00 C ATOM 40 O SER A 5 -2.949 -13.259 0.790 1.00 0.00 O ATOM 41 CB SER A 5 -2.688 -16.313 2.303 1.00 0.00 C ATOM 42 OG SER A 5 -3.907 -16.685 2.923 1.00 0.00 O ATOM 0 H SER A 5 -2.920 -15.217 4.513 1.00 0.00 H new ATOM 0 HA SER A 5 -1.374 -14.615 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.741 -16.524 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.873 -16.914 2.707 1.00 0.00 H new ATOM 0 HG SER A 5 -4.076 -17.638 2.768 1.00 0.00 H new ATOM 48 N SER A 6 -4.641 -14.065 2.036 1.00 0.00 N ATOM 49 CA SER A 6 -5.667 -13.308 1.329 1.00 0.00 C ATOM 50 C SER A 6 -5.422 -11.808 1.461 1.00 0.00 C ATOM 51 O SER A 6 -5.561 -11.057 0.496 1.00 0.00 O ATOM 52 CB SER A 6 -7.054 -13.660 1.871 1.00 0.00 C ATOM 53 OG SER A 6 -7.222 -13.177 3.193 1.00 0.00 O ATOM 0 H SER A 6 -4.995 -14.652 2.791 1.00 0.00 H new ATOM 0 HA SER A 6 -5.619 -13.575 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.820 -13.233 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.191 -14.741 1.855 1.00 0.00 H new ATOM 0 HG SER A 6 -8.117 -13.413 3.516 1.00 0.00 H new ATOM 59 N GLY A 7 -5.057 -11.378 2.665 1.00 0.00 N ATOM 60 CA GLY A 7 -4.799 -9.969 2.903 1.00 0.00 C ATOM 61 C GLY A 7 -6.021 -9.107 2.661 1.00 0.00 C ATOM 62 O GLY A 7 -7.069 -9.605 2.248 1.00 0.00 O ATOM 0 H GLY A 7 -4.935 -11.980 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.460 -9.833 3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.989 -9.636 2.254 1.00 0.00 H new ATOM 66 N ARG A 8 -5.889 -7.810 2.918 1.00 0.00 N ATOM 67 CA ARG A 8 -6.993 -6.876 2.728 1.00 0.00 C ATOM 68 C ARG A 8 -6.732 -5.962 1.534 1.00 0.00 C ATOM 69 O ARG A 8 -5.594 -5.569 1.278 1.00 0.00 O ATOM 70 CB ARG A 8 -7.203 -6.038 3.990 1.00 0.00 C ATOM 71 CG ARG A 8 -6.293 -4.824 4.073 1.00 0.00 C ATOM 72 CD ARG A 8 -5.975 -4.463 5.516 1.00 0.00 C ATOM 73 NE ARG A 8 -7.032 -3.659 6.124 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.002 -3.238 7.384 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.974 -3.542 8.164 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.002 -2.510 7.865 1.00 0.00 N ATOM 0 H ARG A 8 -5.028 -7.382 3.259 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.896 -7.454 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.241 -5.707 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.037 -6.666 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.367 -5.025 3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.770 -3.976 3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.835 -5.375 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.034 -3.914 5.554 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.837 -3.407 5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.203 -4.100 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.954 -3.217 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.794 -2.273 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.979 -2.187 8.832 1.00 0.00 H new ATOM 90 N ARG A 9 -7.794 -5.628 0.809 1.00 0.00 N ATOM 91 CA ARG A 9 -7.680 -4.761 -0.358 1.00 0.00 C ATOM 92 C ARG A 9 -7.855 -3.297 0.033 1.00 0.00 C ATOM 93 O ARG A 9 -8.949 -2.870 0.402 1.00 0.00 O ATOM 94 CB ARG A 9 -8.721 -5.147 -1.410 1.00 0.00 C ATOM 95 CG ARG A 9 -8.282 -6.291 -2.311 1.00 0.00 C ATOM 96 CD ARG A 9 -9.475 -7.015 -2.913 1.00 0.00 C ATOM 97 NE ARG A 9 -9.074 -7.963 -3.950 1.00 0.00 N ATOM 98 CZ ARG A 9 -8.632 -7.598 -5.148 1.00 0.00 C ATOM 99 NH1 ARG A 9 -8.535 -6.312 -5.459 1.00 0.00 N ATOM 100 NH2 ARG A 9 -8.286 -8.519 -6.038 1.00 0.00 N ATOM 0 H ARG A 9 -8.743 -5.944 1.009 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.683 -4.890 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.647 -5.427 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.943 -4.276 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.649 -5.904 -3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.678 -6.995 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.013 -7.544 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.166 -6.286 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.137 -8.960 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.800 -5.601 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.195 -6.034 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.359 -9.509 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.947 -8.237 -6.958 1.00 0.00 H new ATOM 114 N MET A 10 -6.771 -2.533 -0.051 1.00 0.00 N ATOM 115 CA MET A 10 -6.806 -1.116 0.293 1.00 0.00 C ATOM 116 C MET A 10 -6.940 -0.256 -0.959 1.00 0.00 C ATOM 117 O MET A 10 -6.422 -0.602 -2.021 1.00 0.00 O ATOM 118 CB MET A 10 -5.542 -0.726 1.062 1.00 0.00 C ATOM 119 CG MET A 10 -5.089 -1.777 2.062 1.00 0.00 C ATOM 120 SD MET A 10 -4.030 -1.097 3.353 1.00 0.00 S ATOM 121 CE MET A 10 -5.210 -0.116 4.278 1.00 0.00 C ATOM 0 H MET A 10 -5.858 -2.871 -0.354 1.00 0.00 H new ATOM 0 HA MET A 10 -7.676 -0.942 0.926 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.737 -0.542 0.351 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.722 0.211 1.589 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.964 -2.238 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.552 -2.566 1.536 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.871 0.919 4.318 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.183 -0.160 3.789 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.295 -0.509 5.291 1.00 0.00 H new ATOM 131 N VAL A 11 -7.638 0.868 -0.827 1.00 0.00 N ATOM 132 CA VAL A 11 -7.839 1.779 -1.948 1.00 0.00 C ATOM 133 C VAL A 11 -6.975 3.027 -1.804 1.00 0.00 C ATOM 134 O VAL A 11 -7.073 3.751 -0.814 1.00 0.00 O ATOM 135 CB VAL A 11 -9.315 2.200 -2.070 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.766 2.935 -0.817 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.522 3.062 -3.307 1.00 0.00 C ATOM 0 H VAL A 11 -8.074 1.169 0.045 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.547 1.241 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.924 1.302 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.812 3.225 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.655 2.281 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.155 3.827 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.571 3.351 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.903 3.957 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.240 2.497 -4.196 1.00 0.00 H new ATOM 147 N ALA A 12 -6.130 3.273 -2.799 1.00 0.00 N ATOM 148 CA ALA A 12 -5.251 4.435 -2.785 1.00 0.00 C ATOM 149 C ALA A 12 -6.049 5.726 -2.641 1.00 0.00 C ATOM 150 O ALA A 12 -6.725 6.157 -3.576 1.00 0.00 O ATOM 151 CB ALA A 12 -4.405 4.473 -4.050 1.00 0.00 C ATOM 0 H ALA A 12 -6.036 2.683 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.591 4.349 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.753 5.346 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.799 3.569 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.057 4.531 -4.922 1.00 0.00 H new ATOM 157 N LEU A 13 -5.968 6.338 -1.465 1.00 0.00 N ATOM 158 CA LEU A 13 -6.685 7.581 -1.199 1.00 0.00 C ATOM 159 C LEU A 13 -6.008 8.759 -1.893 1.00 0.00 C ATOM 160 O LEU A 13 -6.636 9.787 -2.146 1.00 0.00 O ATOM 161 CB LEU A 13 -6.760 7.836 0.308 1.00 0.00 C ATOM 162 CG LEU A 13 -7.493 6.778 1.132 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.281 7.018 2.619 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.978 6.776 0.797 1.00 0.00 C ATOM 0 H LEU A 13 -5.414 5.995 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.695 7.482 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.744 7.927 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.249 8.797 0.470 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.082 5.800 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.810 6.255 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.216 6.969 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.664 8.003 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.484 6.017 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.403 7.755 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.112 6.555 -0.262 1.00 0.00 H new ATOM 176 N TYR A 14 -4.726 8.601 -2.200 1.00 0.00 N ATOM 177 CA TYR A 14 -3.964 9.651 -2.865 1.00 0.00 C ATOM 178 C TYR A 14 -2.797 9.063 -3.652 1.00 0.00 C ATOM 179 O TYR A 14 -2.021 8.263 -3.129 1.00 0.00 O ATOM 180 CB TYR A 14 -3.445 10.661 -1.840 1.00 0.00 C ATOM 181 CG TYR A 14 -4.511 11.165 -0.894 1.00 0.00 C ATOM 182 CD1 TYR A 14 -5.398 12.161 -1.283 1.00 0.00 C ATOM 183 CD2 TYR A 14 -4.630 10.647 0.390 1.00 0.00 C ATOM 184 CE1 TYR A 14 -6.373 12.626 -0.422 1.00 0.00 C ATOM 185 CE2 TYR A 14 -5.603 11.105 1.257 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.472 12.094 0.847 1.00 0.00 C ATOM 187 OH TYR A 14 -7.442 12.554 1.709 1.00 0.00 O ATOM 0 H TYR A 14 -4.192 7.755 -1.999 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.629 10.160 -3.563 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.645 10.200 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.008 11.509 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.324 12.579 -2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.950 9.873 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.054 13.402 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.683 10.690 2.251 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.376 12.075 2.561 1.00 0.00 H new ATOM 197 N ASP A 15 -2.680 9.466 -4.913 1.00 0.00 N ATOM 198 CA ASP A 15 -1.607 8.981 -5.773 1.00 0.00 C ATOM 199 C ASP A 15 -0.255 9.102 -5.077 1.00 0.00 C ATOM 200 O ASP A 15 0.192 10.202 -4.754 1.00 0.00 O ATOM 201 CB ASP A 15 -1.588 9.761 -7.089 1.00 0.00 C ATOM 202 CG ASP A 15 -1.279 11.231 -6.887 1.00 0.00 C ATOM 203 OD1 ASP A 15 -2.002 11.887 -6.107 1.00 0.00 O ATOM 204 OD2 ASP A 15 -0.316 11.726 -7.508 1.00 0.00 O ATOM 0 H ASP A 15 -3.315 10.127 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.793 7.928 -5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.844 9.325 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.555 9.660 -7.581 1.00 0.00 H new ATOM 209 N TYR A 16 0.390 7.963 -4.848 1.00 0.00 N ATOM 210 CA TYR A 16 1.690 7.941 -4.186 1.00 0.00 C ATOM 211 C TYR A 16 2.822 7.959 -5.209 1.00 0.00 C ATOM 212 O TYR A 16 2.606 7.713 -6.396 1.00 0.00 O ATOM 213 CB TYR A 16 1.811 6.703 -3.297 1.00 0.00 C ATOM 214 CG TYR A 16 3.152 6.580 -2.609 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.488 7.409 -1.546 1.00 0.00 C ATOM 216 CD2 TYR A 16 4.084 5.637 -3.023 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.712 7.302 -0.915 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.310 5.521 -2.398 1.00 0.00 C ATOM 219 CZ TYR A 16 5.620 6.356 -1.344 1.00 0.00 C ATOM 220 OH TYR A 16 6.840 6.245 -0.719 1.00 0.00 O ATOM 0 H TYR A 16 0.034 7.044 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 16 1.770 8.834 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.026 6.730 -2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.640 5.813 -3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.780 8.150 -1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.846 4.983 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.957 7.955 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.022 4.781 -2.732 1.00 0.00 H new ATOM 0 HH TYR A 16 7.010 5.306 -0.498 1.00 0.00 H new ATOM 230 N ASP A 17 4.029 8.252 -4.739 1.00 0.00 N ATOM 231 CA ASP A 17 5.198 8.302 -5.611 1.00 0.00 C ATOM 232 C ASP A 17 6.486 8.292 -4.794 1.00 0.00 C ATOM 233 O ASP A 17 6.869 9.289 -4.182 1.00 0.00 O ATOM 234 CB ASP A 17 5.149 9.549 -6.494 1.00 0.00 C ATOM 235 CG ASP A 17 4.426 9.303 -7.804 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.076 8.834 -8.762 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.210 9.579 -7.871 1.00 0.00 O ATOM 0 H ASP A 17 4.224 8.459 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 17 5.185 7.416 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.651 10.354 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.165 9.884 -6.701 1.00 0.00 H new ATOM 242 N PRO A 18 7.170 7.138 -4.781 1.00 0.00 N ATOM 243 CA PRO A 18 8.425 6.970 -4.043 1.00 0.00 C ATOM 244 C PRO A 18 9.573 7.758 -4.664 1.00 0.00 C ATOM 245 O PRO A 18 10.694 7.746 -4.155 1.00 0.00 O ATOM 246 CB PRO A 18 8.695 5.466 -4.140 1.00 0.00 C ATOM 247 CG PRO A 18 7.989 5.034 -5.378 1.00 0.00 C ATOM 248 CD PRO A 18 6.772 5.909 -5.488 1.00 0.00 C ATOM 0 HA PRO A 18 8.348 7.338 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.763 5.259 -4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.317 4.939 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.630 5.146 -6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.709 3.982 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.514 6.109 -6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.900 5.445 -5.027 1.00 0.00 H new ATOM 256 N ARG A 19 9.287 8.443 -5.766 1.00 0.00 N ATOM 257 CA ARG A 19 10.296 9.237 -6.457 1.00 0.00 C ATOM 258 C ARG A 19 10.343 10.658 -5.903 1.00 0.00 C ATOM 259 O ARG A 19 11.342 11.360 -6.055 1.00 0.00 O ATOM 260 CB ARG A 19 10.007 9.272 -7.959 1.00 0.00 C ATOM 261 CG ARG A 19 9.984 7.898 -8.607 1.00 0.00 C ATOM 262 CD ARG A 19 9.111 7.884 -9.853 1.00 0.00 C ATOM 263 NE ARG A 19 8.578 6.554 -10.132 1.00 0.00 N ATOM 264 CZ ARG A 19 7.703 6.301 -11.099 1.00 0.00 C ATOM 265 NH1 ARG A 19 7.265 7.283 -11.875 1.00 0.00 N ATOM 266 NH2 ARG A 19 7.264 5.064 -11.292 1.00 0.00 N ATOM 0 H ARG A 19 8.364 8.464 -6.200 1.00 0.00 H new ATOM 0 HA ARG A 19 11.267 8.769 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.046 9.758 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.763 9.884 -8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.999 7.601 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.612 7.164 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.287 8.586 -9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.693 8.228 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 19 8.895 5.776 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.600 8.235 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.593 7.086 -12.617 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.598 4.306 -10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.592 4.871 -12.035 1.00 0.00 H new ATOM 280 N GLU A 20 9.255 11.074 -5.263 1.00 0.00 N ATOM 281 CA GLU A 20 9.173 12.412 -4.688 1.00 0.00 C ATOM 282 C GLU A 20 8.774 12.349 -3.217 1.00 0.00 C ATOM 283 O GLU A 20 9.344 13.047 -2.378 1.00 0.00 O ATOM 284 CB GLU A 20 8.166 13.263 -5.464 1.00 0.00 C ATOM 285 CG GLU A 20 8.692 13.764 -6.799 1.00 0.00 C ATOM 286 CD GLU A 20 7.947 14.986 -7.299 1.00 0.00 C ATOM 287 OE1 GLU A 20 6.699 14.952 -7.322 1.00 0.00 O ATOM 288 OE2 GLU A 20 8.613 15.976 -7.667 1.00 0.00 O ATOM 0 H GLU A 20 8.419 10.505 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 20 10.159 12.871 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.264 12.676 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.878 14.118 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.751 14.004 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.613 12.967 -7.538 1.00 0.00 H new ATOM 295 N SER A 21 7.792 11.507 -2.911 1.00 0.00 N ATOM 296 CA SER A 21 7.313 11.355 -1.542 1.00 0.00 C ATOM 297 C SER A 21 8.393 10.744 -0.654 1.00 0.00 C ATOM 298 O SER A 21 8.782 11.326 0.358 1.00 0.00 O ATOM 299 CB SER A 21 6.058 10.481 -1.513 1.00 0.00 C ATOM 300 OG SER A 21 5.326 10.681 -0.316 1.00 0.00 O ATOM 0 H SER A 21 7.312 10.919 -3.593 1.00 0.00 H new ATOM 0 HA SER A 21 7.067 12.344 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.428 10.714 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.340 9.432 -1.600 1.00 0.00 H new ATOM 0 HG SER A 21 4.528 10.113 -0.322 1.00 0.00 H new ATOM 306 N SER A 22 8.872 9.566 -1.041 1.00 0.00 N ATOM 307 CA SER A 22 9.904 8.873 -0.279 1.00 0.00 C ATOM 308 C SER A 22 11.267 9.525 -0.492 1.00 0.00 C ATOM 309 O SER A 22 11.564 10.070 -1.555 1.00 0.00 O ATOM 310 CB SER A 22 9.963 7.399 -0.683 1.00 0.00 C ATOM 311 OG SER A 22 11.177 6.802 -0.262 1.00 0.00 O ATOM 0 H SER A 22 8.562 9.072 -1.878 1.00 0.00 H new ATOM 0 HA SER A 22 9.648 8.943 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.120 6.865 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.867 7.311 -1.765 1.00 0.00 H new ATOM 0 HG SER A 22 11.147 5.839 -0.440 1.00 0.00 H new ATOM 317 N PRO A 23 12.117 9.469 0.544 1.00 0.00 N ATOM 318 CA PRO A 23 13.463 10.049 0.496 1.00 0.00 C ATOM 319 C PRO A 23 14.393 9.278 -0.435 1.00 0.00 C ATOM 320 O PRO A 23 15.595 9.535 -0.479 1.00 0.00 O ATOM 321 CB PRO A 23 13.947 9.942 1.944 1.00 0.00 C ATOM 322 CG PRO A 23 13.172 8.807 2.520 1.00 0.00 C ATOM 323 CD PRO A 23 11.830 8.836 1.842 1.00 0.00 C ATOM 0 HA PRO A 23 13.454 11.068 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.019 9.753 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.763 10.866 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.679 7.858 2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.066 8.915 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.421 7.833 1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.102 9.409 2.416 1.00 0.00 H new ATOM 331 N ASN A 24 13.828 8.332 -1.178 1.00 0.00 N ATOM 332 CA ASN A 24 14.607 7.523 -2.108 1.00 0.00 C ATOM 333 C ASN A 24 15.437 6.483 -1.362 1.00 0.00 C ATOM 334 O ASN A 24 16.638 6.349 -1.593 1.00 0.00 O ATOM 335 CB ASN A 24 15.523 8.416 -2.948 1.00 0.00 C ATOM 336 CG ASN A 24 14.935 9.794 -3.178 1.00 0.00 C ATOM 337 OD1 ASN A 24 13.738 9.936 -3.431 1.00 0.00 O ATOM 338 ND2 ASN A 24 15.776 10.818 -3.093 1.00 0.00 N ATOM 0 H ASN A 24 12.833 8.107 -1.154 1.00 0.00 H new ATOM 0 HA ASN A 24 13.913 7.002 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.487 8.514 -2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.709 7.938 -3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.438 11.769 -3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.760 10.653 -2.881 1.00 0.00 H new ATOM 345 N VAL A 25 14.786 5.748 -0.465 1.00 0.00 N ATOM 346 CA VAL A 25 15.463 4.718 0.314 1.00 0.00 C ATOM 347 C VAL A 25 15.049 3.323 -0.141 1.00 0.00 C ATOM 348 O VAL A 25 14.063 2.768 0.342 1.00 0.00 O ATOM 349 CB VAL A 25 15.163 4.865 1.818 1.00 0.00 C ATOM 350 CG1 VAL A 25 16.015 5.967 2.428 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.683 5.138 2.042 1.00 0.00 C ATOM 0 H VAL A 25 13.792 5.847 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 25 16.533 4.848 0.149 1.00 0.00 H new ATOM 0 HB VAL A 25 15.415 3.928 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.789 6.056 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 25 17.070 5.724 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.798 6.912 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.489 5.239 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.402 6.060 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.096 4.311 1.643 1.00 0.00 H new ATOM 361 N ASP A 26 15.810 2.762 -1.075 1.00 0.00 N ATOM 362 CA ASP A 26 15.524 1.430 -1.596 1.00 0.00 C ATOM 363 C ASP A 26 14.158 1.395 -2.275 1.00 0.00 C ATOM 364 O ASP A 26 13.520 0.345 -2.354 1.00 0.00 O ATOM 365 CB ASP A 26 15.574 0.397 -0.469 1.00 0.00 C ATOM 366 CG ASP A 26 16.976 -0.125 -0.224 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.555 -0.726 -1.153 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.493 0.067 0.896 1.00 0.00 O ATOM 0 H ASP A 26 16.629 3.209 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 26 16.285 1.185 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.191 0.845 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.917 -0.437 -0.715 1.00 0.00 H new ATOM 373 N VAL A 27 13.715 2.549 -2.764 1.00 0.00 N ATOM 374 CA VAL A 27 12.426 2.650 -3.437 1.00 0.00 C ATOM 375 C VAL A 27 12.236 1.513 -4.434 1.00 0.00 C ATOM 376 O VAL A 27 11.109 1.117 -4.731 1.00 0.00 O ATOM 377 CB VAL A 27 12.281 3.995 -4.174 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.335 5.152 -3.189 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.360 4.138 -5.237 1.00 0.00 C ATOM 0 H VAL A 27 14.230 3.427 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 27 11.660 2.583 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 27 11.310 4.016 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.231 6.094 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.523 5.055 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.290 5.138 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.243 5.094 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.342 4.096 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.269 3.327 -5.959 1.00 0.00 H new ATOM 389 N GLU A 28 13.346 0.992 -4.948 1.00 0.00 N ATOM 390 CA GLU A 28 13.301 -0.100 -5.913 1.00 0.00 C ATOM 391 C GLU A 28 12.308 -1.173 -5.475 1.00 0.00 C ATOM 392 O GLU A 28 11.801 -1.937 -6.296 1.00 0.00 O ATOM 393 CB GLU A 28 14.691 -0.716 -6.085 1.00 0.00 C ATOM 394 CG GLU A 28 15.608 0.093 -6.986 1.00 0.00 C ATOM 395 CD GLU A 28 16.807 -0.703 -7.464 1.00 0.00 C ATOM 396 OE1 GLU A 28 16.606 -1.687 -8.207 1.00 0.00 O ATOM 397 OE2 GLU A 28 17.944 -0.343 -7.097 1.00 0.00 O ATOM 0 H GLU A 28 14.287 1.308 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 28 12.971 0.308 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.157 -0.819 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.586 -1.720 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.044 0.446 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.954 0.976 -6.448 1.00 0.00 H new ATOM 404 N ALA A 29 12.035 -1.223 -4.175 1.00 0.00 N ATOM 405 CA ALA A 29 11.103 -2.200 -3.627 1.00 0.00 C ATOM 406 C ALA A 29 9.729 -1.579 -3.398 1.00 0.00 C ATOM 407 O ALA A 29 8.713 -2.272 -3.424 1.00 0.00 O ATOM 408 CB ALA A 29 11.646 -2.778 -2.329 1.00 0.00 C ATOM 0 H ALA A 29 12.446 -0.598 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 29 10.992 -3.006 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.939 -3.506 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.602 -3.266 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.787 -1.976 -1.604 1.00 0.00 H new ATOM 414 N GLU A 30 9.706 -0.269 -3.174 1.00 0.00 N ATOM 415 CA GLU A 30 8.456 0.444 -2.939 1.00 0.00 C ATOM 416 C GLU A 30 7.526 0.321 -4.142 1.00 0.00 C ATOM 417 O GLU A 30 7.977 0.164 -5.277 1.00 0.00 O ATOM 418 CB GLU A 30 8.733 1.920 -2.643 1.00 0.00 C ATOM 419 CG GLU A 30 9.150 2.184 -1.206 1.00 0.00 C ATOM 420 CD GLU A 30 8.988 3.639 -0.809 1.00 0.00 C ATOM 421 OE1 GLU A 30 9.635 4.500 -1.441 1.00 0.00 O ATOM 422 OE2 GLU A 30 8.216 3.915 0.131 1.00 0.00 O ATOM 0 H GLU A 30 10.538 0.320 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 30 7.967 -0.007 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.518 2.275 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.838 2.501 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.555 1.561 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.191 1.889 -1.074 1.00 0.00 H new ATOM 429 N LEU A 31 6.224 0.394 -3.885 1.00 0.00 N ATOM 430 CA LEU A 31 5.228 0.291 -4.946 1.00 0.00 C ATOM 431 C LEU A 31 4.696 1.668 -5.330 1.00 0.00 C ATOM 432 O LEU A 31 4.419 2.502 -4.467 1.00 0.00 O ATOM 433 CB LEU A 31 4.073 -0.609 -4.502 1.00 0.00 C ATOM 434 CG LEU A 31 4.289 -2.113 -4.677 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.003 -2.873 -4.394 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.795 -2.420 -6.079 1.00 0.00 C ATOM 0 H LEU A 31 5.834 0.524 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 31 5.708 -0.149 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.869 -0.412 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.181 -0.323 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 31 5.044 -2.438 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.176 -3.941 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.683 -2.679 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.227 -2.545 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.943 -3.495 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.064 -2.080 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.741 -1.905 -6.245 1.00 0.00 H new ATOM 448 N THR A 32 4.554 1.900 -6.631 1.00 0.00 N ATOM 449 CA THR A 32 4.054 3.175 -7.129 1.00 0.00 C ATOM 450 C THR A 32 2.634 3.037 -7.667 1.00 0.00 C ATOM 451 O THR A 32 2.431 2.654 -8.820 1.00 0.00 O ATOM 452 CB THR A 32 4.960 3.738 -8.241 1.00 0.00 C ATOM 453 OG1 THR A 32 6.328 3.706 -7.821 1.00 0.00 O ATOM 454 CG2 THR A 32 4.564 5.164 -8.591 1.00 0.00 C ATOM 0 H THR A 32 4.778 1.221 -7.359 1.00 0.00 H new ATOM 0 HA THR A 32 4.054 3.866 -6.286 1.00 0.00 H new ATOM 0 HB THR A 32 4.839 3.116 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.897 4.064 -8.534 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.217 5.540 -9.378 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.531 5.180 -8.938 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.659 5.795 -7.708 1.00 0.00 H new ATOM 462 N PHE A 33 1.655 3.352 -6.827 1.00 0.00 N ATOM 463 CA PHE A 33 0.253 3.262 -7.218 1.00 0.00 C ATOM 464 C PHE A 33 -0.354 4.652 -7.389 1.00 0.00 C ATOM 465 O PHE A 33 0.291 5.662 -7.103 1.00 0.00 O ATOM 466 CB PHE A 33 -0.540 2.471 -6.176 1.00 0.00 C ATOM 467 CG PHE A 33 -0.272 2.904 -4.763 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.861 2.468 -4.094 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.151 3.747 -4.103 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.111 2.865 -2.794 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.906 4.147 -2.803 1.00 0.00 C ATOM 472 CZ PHE A 33 0.226 3.705 -2.148 1.00 0.00 C ATOM 0 H PHE A 33 1.806 3.672 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 33 0.201 2.742 -8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.605 2.577 -6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.300 1.412 -6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.556 1.810 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.038 4.096 -4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.998 2.519 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.599 4.805 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.419 4.016 -1.132 1.00 0.00 H new ATOM 482 N CYS A 34 -1.596 4.695 -7.857 1.00 0.00 N ATOM 483 CA CYS A 34 -2.291 5.960 -8.068 1.00 0.00 C ATOM 484 C CYS A 34 -3.632 5.971 -7.342 1.00 0.00 C ATOM 485 O CYS A 34 -4.124 4.930 -6.906 1.00 0.00 O ATOM 486 CB CYS A 34 -2.503 6.206 -9.562 1.00 0.00 C ATOM 487 SG CYS A 34 -1.067 6.909 -10.406 1.00 0.00 S ATOM 0 H CYS A 34 -2.143 3.868 -8.098 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.672 6.759 -7.661 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.766 5.263 -10.041 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.352 6.877 -9.692 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.343 7.078 -11.665 1.00 0.00 H new ATOM 493 N THR A 35 -4.220 7.157 -7.214 1.00 0.00 N ATOM 494 CA THR A 35 -5.503 7.304 -6.539 1.00 0.00 C ATOM 495 C THR A 35 -6.532 6.325 -7.092 1.00 0.00 C ATOM 496 O THR A 35 -6.842 6.341 -8.282 1.00 0.00 O ATOM 497 CB THR A 35 -6.050 8.738 -6.678 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.028 9.686 -6.350 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.254 8.948 -5.773 1.00 0.00 C ATOM 0 H THR A 35 -3.828 8.029 -7.569 1.00 0.00 H new ATOM 0 HA THR A 35 -5.331 7.088 -5.484 1.00 0.00 H new ATOM 0 HB THR A 35 -6.363 8.885 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.383 10.595 -6.442 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.623 9.967 -5.888 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.041 8.245 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.963 8.783 -4.736 1.00 0.00 H new ATOM 507 N GLY A 36 -7.059 5.472 -6.219 1.00 0.00 N ATOM 508 CA GLY A 36 -8.048 4.497 -6.639 1.00 0.00 C ATOM 509 C GLY A 36 -7.461 3.109 -6.805 1.00 0.00 C ATOM 510 O GLY A 36 -8.163 2.109 -6.657 1.00 0.00 O ATOM 0 H GLY A 36 -6.819 5.439 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.853 4.462 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.490 4.816 -7.583 1.00 0.00 H new ATOM 514 N ASP A 37 -6.170 3.048 -7.115 1.00 0.00 N ATOM 515 CA ASP A 37 -5.488 1.773 -7.302 1.00 0.00 C ATOM 516 C ASP A 37 -5.619 0.899 -6.058 1.00 0.00 C ATOM 517 O ASP A 37 -5.185 1.281 -4.971 1.00 0.00 O ATOM 518 CB ASP A 37 -4.011 2.003 -7.626 1.00 0.00 C ATOM 519 CG ASP A 37 -3.803 2.540 -9.028 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.697 3.255 -9.529 1.00 0.00 O ATOM 521 OD2 ASP A 37 -2.746 2.246 -9.625 1.00 0.00 O ATOM 0 H ASP A 37 -5.575 3.867 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.959 1.256 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.589 2.703 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.467 1.065 -7.515 1.00 0.00 H new ATOM 526 N ILE A 38 -6.220 -0.274 -6.226 1.00 0.00 N ATOM 527 CA ILE A 38 -6.408 -1.201 -5.117 1.00 0.00 C ATOM 528 C ILE A 38 -5.151 -2.029 -4.874 1.00 0.00 C ATOM 529 O ILE A 38 -4.606 -2.634 -5.798 1.00 0.00 O ATOM 530 CB ILE A 38 -7.593 -2.151 -5.371 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.870 -1.349 -5.635 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.785 -3.087 -4.188 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.417 -0.661 -4.405 1.00 0.00 C ATOM 0 H ILE A 38 -6.585 -0.605 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.620 -0.598 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.374 -2.753 -6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.667 -0.600 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.632 -2.017 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.626 -3.752 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.881 -3.678 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.985 -2.502 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.322 -0.112 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.652 -1.407 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.672 0.032 -4.014 1.00 0.00 H new ATOM 545 N ILE A 39 -4.697 -2.053 -3.625 1.00 0.00 N ATOM 546 CA ILE A 39 -3.506 -2.810 -3.260 1.00 0.00 C ATOM 547 C ILE A 39 -3.783 -3.736 -2.081 1.00 0.00 C ATOM 548 O ILE A 39 -4.306 -3.310 -1.051 1.00 0.00 O ATOM 549 CB ILE A 39 -2.334 -1.876 -2.901 1.00 0.00 C ATOM 550 CG1 ILE A 39 -1.896 -1.077 -4.130 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.169 -2.680 -2.342 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.249 0.248 -3.790 1.00 0.00 C ATOM 0 H ILE A 39 -5.136 -1.557 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.232 -3.406 -4.130 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.667 -1.175 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.195 -1.676 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.764 -0.896 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.349 -2.007 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.489 -3.209 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.833 -3.401 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.964 0.760 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.955 0.866 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.362 0.074 -3.181 1.00 0.00 H new ATOM 564 N THR A 40 -3.426 -5.007 -2.238 1.00 0.00 N ATOM 565 CA THR A 40 -3.635 -5.995 -1.187 1.00 0.00 C ATOM 566 C THR A 40 -2.446 -6.044 -0.234 1.00 0.00 C ATOM 567 O THR A 40 -1.372 -6.531 -0.590 1.00 0.00 O ATOM 568 CB THR A 40 -3.866 -7.400 -1.774 1.00 0.00 C ATOM 569 OG1 THR A 40 -4.928 -7.361 -2.734 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.205 -8.396 -0.676 1.00 0.00 C ATOM 0 H THR A 40 -2.991 -5.376 -3.083 1.00 0.00 H new ATOM 0 HA THR A 40 -4.525 -5.688 -0.638 1.00 0.00 H new ATOM 0 HB THR A 40 -2.946 -7.721 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.068 -8.258 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.364 -9.381 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.382 -8.445 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.112 -8.077 -0.163 1.00 0.00 H new ATOM 578 N VAL A 41 -2.644 -5.538 0.978 1.00 0.00 N ATOM 579 CA VAL A 41 -1.587 -5.526 1.983 1.00 0.00 C ATOM 580 C VAL A 41 -1.603 -6.805 2.813 1.00 0.00 C ATOM 581 O VAL A 41 -2.666 -7.339 3.129 1.00 0.00 O ATOM 582 CB VAL A 41 -1.723 -4.315 2.926 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.506 -3.017 2.162 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.082 -4.321 3.608 1.00 0.00 C ATOM 0 H VAL A 41 -3.526 -5.131 1.289 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.641 -5.456 1.446 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.956 -4.388 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.606 -2.172 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.507 -3.015 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.249 -2.933 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.161 -3.459 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.868 -4.272 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.193 -5.236 4.189 1.00 0.00 H new ATOM 594 N PHE A 42 -0.417 -7.292 3.162 1.00 0.00 N ATOM 595 CA PHE A 42 -0.294 -8.509 3.954 1.00 0.00 C ATOM 596 C PHE A 42 0.513 -8.253 5.224 1.00 0.00 C ATOM 597 O PHE A 42 1.661 -7.814 5.166 1.00 0.00 O ATOM 598 CB PHE A 42 0.370 -9.615 3.130 1.00 0.00 C ATOM 599 CG PHE A 42 -0.240 -9.796 1.770 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.523 -10.303 1.633 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.468 -9.459 0.628 1.00 0.00 C ATOM 602 CE1 PHE A 42 -2.086 -10.471 0.382 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.090 -9.625 -0.626 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.369 -10.131 -0.749 1.00 0.00 C ATOM 0 H PHE A 42 0.473 -6.862 2.909 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.296 -8.829 4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.430 -9.387 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.303 -10.555 3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.089 -10.570 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.468 -9.062 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.086 -10.868 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.474 -9.359 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.808 -10.261 -1.727 1.00 0.00 H new ATOM 614 N GLY A 43 -0.098 -8.530 6.372 1.00 0.00 N ATOM 615 CA GLY A 43 0.577 -8.322 7.640 1.00 0.00 C ATOM 616 C GLY A 43 0.328 -6.940 8.210 1.00 0.00 C ATOM 617 O GLY A 43 -0.345 -6.118 7.589 1.00 0.00 O ATOM 0 H GLY A 43 -1.048 -8.894 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.240 -9.073 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.649 -8.468 7.506 1.00 0.00 H new ATOM 621 N GLU A 44 0.871 -6.683 9.396 1.00 0.00 N ATOM 622 CA GLU A 44 0.702 -5.391 10.050 1.00 0.00 C ATOM 623 C GLU A 44 1.817 -4.429 9.649 1.00 0.00 C ATOM 624 O GLU A 44 2.766 -4.812 8.965 1.00 0.00 O ATOM 625 CB GLU A 44 0.683 -5.562 11.570 1.00 0.00 C ATOM 626 CG GLU A 44 2.035 -5.925 12.159 1.00 0.00 C ATOM 627 CD GLU A 44 1.964 -6.224 13.644 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.995 -5.267 14.445 1.00 0.00 O ATOM 629 OE2 GLU A 44 1.877 -7.417 14.005 1.00 0.00 O ATOM 0 H GLU A 44 1.432 -7.352 9.923 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.251 -4.971 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.334 -4.636 12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.037 -6.337 11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.433 -6.794 11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.733 -5.105 11.990 1.00 0.00 H new ATOM 636 N ILE A 45 1.694 -3.178 10.081 1.00 0.00 N ATOM 637 CA ILE A 45 2.690 -2.161 9.768 1.00 0.00 C ATOM 638 C ILE A 45 4.056 -2.538 10.332 1.00 0.00 C ATOM 639 O ILE A 45 4.163 -3.008 11.465 1.00 0.00 O ATOM 640 CB ILE A 45 2.281 -0.783 10.322 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.947 -0.342 9.718 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.365 0.245 10.036 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.525 1.049 10.135 1.00 0.00 C ATOM 0 H ILE A 45 0.915 -2.845 10.648 1.00 0.00 H new ATOM 0 HA ILE A 45 2.751 -2.103 8.681 1.00 0.00 H new ATOM 0 HB ILE A 45 2.160 -0.863 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.019 -0.380 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.173 -1.051 10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.062 1.214 10.433 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.296 -0.066 10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.515 0.325 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.429 1.295 9.669 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.420 1.088 11.219 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.280 1.769 9.818 1.00 0.00 H new ATOM 655 N ASP A 46 5.097 -2.327 9.535 1.00 0.00 N ATOM 656 CA ASP A 46 6.458 -2.642 9.955 1.00 0.00 C ATOM 657 C ASP A 46 6.962 -1.623 10.972 1.00 0.00 C ATOM 658 O ASP A 46 6.242 -0.698 11.347 1.00 0.00 O ATOM 659 CB ASP A 46 7.392 -2.679 8.745 1.00 0.00 C ATOM 660 CG ASP A 46 7.129 -3.871 7.847 1.00 0.00 C ATOM 661 OD1 ASP A 46 7.575 -4.985 8.194 1.00 0.00 O ATOM 662 OD2 ASP A 46 6.479 -3.691 6.795 1.00 0.00 O ATOM 0 H ASP A 46 5.025 -1.939 8.594 1.00 0.00 H new ATOM 0 HA ASP A 46 6.449 -3.625 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.273 -1.761 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.426 -2.708 9.089 1.00 0.00 H new ATOM 667 N GLU A 47 8.203 -1.800 11.414 1.00 0.00 N ATOM 668 CA GLU A 47 8.802 -0.896 12.389 1.00 0.00 C ATOM 669 C GLU A 47 8.968 0.503 11.804 1.00 0.00 C ATOM 670 O GLU A 47 8.980 1.495 12.533 1.00 0.00 O ATOM 671 CB GLU A 47 10.159 -1.433 12.849 1.00 0.00 C ATOM 672 CG GLU A 47 11.135 -1.677 11.710 1.00 0.00 C ATOM 673 CD GLU A 47 12.526 -2.032 12.199 1.00 0.00 C ATOM 674 OE1 GLU A 47 12.709 -3.161 12.701 1.00 0.00 O ATOM 675 OE2 GLU A 47 13.431 -1.181 12.079 1.00 0.00 O ATOM 0 H GLU A 47 8.813 -2.560 11.113 1.00 0.00 H new ATOM 0 HA GLU A 47 8.134 -0.835 13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.602 -0.725 13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.006 -2.366 13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.759 -2.483 11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.190 -0.785 11.086 1.00 0.00 H new ATOM 682 N ASP A 48 9.098 0.574 10.484 1.00 0.00 N ATOM 683 CA ASP A 48 9.263 1.851 9.799 1.00 0.00 C ATOM 684 C ASP A 48 7.940 2.609 9.736 1.00 0.00 C ATOM 685 O ASP A 48 7.875 3.792 10.065 1.00 0.00 O ATOM 686 CB ASP A 48 9.807 1.630 8.387 1.00 0.00 C ATOM 687 CG ASP A 48 11.277 1.260 8.384 1.00 0.00 C ATOM 688 OD1 ASP A 48 12.110 2.133 8.707 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.595 0.097 8.059 1.00 0.00 O ATOM 0 H ASP A 48 9.092 -0.238 9.867 1.00 0.00 H new ATOM 0 HA ASP A 48 9.977 2.449 10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.235 0.840 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.662 2.536 7.799 1.00 0.00 H new ATOM 694 N GLY A 49 6.888 1.918 9.308 1.00 0.00 N ATOM 695 CA GLY A 49 5.582 2.542 9.207 1.00 0.00 C ATOM 696 C GLY A 49 4.982 2.412 7.821 1.00 0.00 C ATOM 697 O GLY A 49 4.386 3.357 7.304 1.00 0.00 O ATOM 0 H GLY A 49 6.917 0.937 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.909 2.089 9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.666 3.598 9.465 1.00 0.00 H new ATOM 701 N PHE A 50 5.142 1.240 7.216 1.00 0.00 N ATOM 702 CA PHE A 50 4.614 0.991 5.880 1.00 0.00 C ATOM 703 C PHE A 50 3.939 -0.375 5.807 1.00 0.00 C ATOM 704 O PHE A 50 3.970 -1.147 6.766 1.00 0.00 O ATOM 705 CB PHE A 50 5.735 1.074 4.842 1.00 0.00 C ATOM 706 CG PHE A 50 6.383 2.427 4.766 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.095 2.931 5.843 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.279 3.196 3.618 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.692 4.175 5.777 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.875 4.441 3.546 1.00 0.00 C ATOM 711 CZ PHE A 50 7.581 4.932 4.627 1.00 0.00 C ATOM 0 H PHE A 50 5.633 0.448 7.630 1.00 0.00 H new ATOM 0 HA PHE A 50 3.869 1.757 5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.495 0.329 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.332 0.818 3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.184 2.344 6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.726 2.819 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.245 4.555 6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.789 5.030 2.645 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.045 5.906 4.573 1.00 0.00 H new ATOM 721 N TYR A 51 3.329 -0.667 4.664 1.00 0.00 N ATOM 722 CA TYR A 51 2.643 -1.939 4.466 1.00 0.00 C ATOM 723 C TYR A 51 3.219 -2.688 3.268 1.00 0.00 C ATOM 724 O TYR A 51 3.719 -2.078 2.323 1.00 0.00 O ATOM 725 CB TYR A 51 1.145 -1.708 4.265 1.00 0.00 C ATOM 726 CG TYR A 51 0.355 -1.698 5.554 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.567 -2.666 6.529 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.603 -0.723 5.798 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.153 -2.662 7.708 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.326 -0.710 6.975 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.098 -1.681 7.927 1.00 0.00 C ATOM 732 OH TYR A 51 -1.817 -1.673 9.100 1.00 0.00 O ATOM 0 H TYR A 51 3.295 -0.040 3.860 1.00 0.00 H new ATOM 0 HA TYR A 51 2.794 -2.547 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.998 -0.758 3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.750 -2.487 3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.307 -3.434 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.786 0.039 5.054 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.023 -3.423 8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.066 0.057 7.149 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.440 -0.916 9.097 1.00 0.00 H new ATOM 742 N TYR A 52 3.145 -4.013 3.317 1.00 0.00 N ATOM 743 CA TYR A 52 3.660 -4.847 2.237 1.00 0.00 C ATOM 744 C TYR A 52 2.523 -5.548 1.500 1.00 0.00 C ATOM 745 O TYR A 52 2.021 -6.579 1.946 1.00 0.00 O ATOM 746 CB TYR A 52 4.641 -5.883 2.789 1.00 0.00 C ATOM 747 CG TYR A 52 5.731 -6.264 1.813 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.442 -6.995 0.668 1.00 0.00 C ATOM 749 CD2 TYR A 52 7.051 -5.892 2.037 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.436 -7.346 -0.225 1.00 0.00 C ATOM 751 CE2 TYR A 52 8.051 -6.237 1.148 1.00 0.00 C ATOM 752 CZ TYR A 52 7.738 -6.965 0.019 1.00 0.00 C ATOM 753 OH TYR A 52 8.731 -7.311 -0.869 1.00 0.00 O ATOM 0 H TYR A 52 2.734 -4.533 4.092 1.00 0.00 H new ATOM 0 HA TYR A 52 4.182 -4.202 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.099 -5.490 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.089 -6.779 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.423 -7.294 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.300 -5.324 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.194 -7.916 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.072 -5.938 1.336 1.00 0.00 H new ATOM 0 HH TYR A 52 9.590 -6.965 -0.550 1.00 0.00 H new ATOM 763 N GLY A 53 2.121 -4.980 0.367 1.00 0.00 N ATOM 764 CA GLY A 53 1.047 -5.563 -0.415 1.00 0.00 C ATOM 765 C GLY A 53 1.404 -5.696 -1.882 1.00 0.00 C ATOM 766 O GLY A 53 2.494 -5.308 -2.299 1.00 0.00 O ATOM 0 H GLY A 53 2.520 -4.126 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.802 -6.546 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.154 -4.946 -0.316 1.00 0.00 H new ATOM 770 N GLU A 54 0.483 -6.248 -2.666 1.00 0.00 N ATOM 771 CA GLU A 54 0.709 -6.434 -4.094 1.00 0.00 C ATOM 772 C GLU A 54 -0.310 -5.646 -4.913 1.00 0.00 C ATOM 773 O GLU A 54 -1.501 -5.633 -4.598 1.00 0.00 O ATOM 774 CB GLU A 54 0.632 -7.918 -4.457 1.00 0.00 C ATOM 775 CG GLU A 54 1.468 -8.293 -5.669 1.00 0.00 C ATOM 776 CD GLU A 54 1.223 -9.717 -6.129 1.00 0.00 C ATOM 777 OE1 GLU A 54 0.047 -10.133 -6.171 1.00 0.00 O ATOM 778 OE2 GLU A 54 2.209 -10.414 -6.449 1.00 0.00 O ATOM 0 H GLU A 54 -0.426 -6.574 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 54 1.706 -6.061 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.960 -8.510 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.408 -8.183 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.244 -7.608 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.524 -8.169 -5.430 1.00 0.00 H new ATOM 785 N LEU A 55 0.166 -4.989 -5.965 1.00 0.00 N ATOM 786 CA LEU A 55 -0.702 -4.197 -6.829 1.00 0.00 C ATOM 787 C LEU A 55 -1.000 -4.939 -8.128 1.00 0.00 C ATOM 788 O LEU A 55 -2.091 -5.479 -8.310 1.00 0.00 O ATOM 789 CB LEU A 55 -0.053 -2.846 -7.138 1.00 0.00 C ATOM 790 CG LEU A 55 -0.760 -1.986 -8.185 1.00 0.00 C ATOM 791 CD1 LEU A 55 -2.268 -2.168 -8.097 1.00 0.00 C ATOM 792 CD2 LEU A 55 -0.387 -0.520 -8.011 1.00 0.00 C ATOM 0 H LEU A 55 1.148 -4.989 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.642 -4.030 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.011 -2.276 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.969 -3.024 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.433 -2.309 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.754 -1.548 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.519 -3.214 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.613 -1.873 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.899 0.078 -8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.685 -0.184 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.691 -0.403 -8.126 1.00 0.00 H new ATOM 804 N ASN A 56 -0.022 -4.963 -9.028 1.00 0.00 N ATOM 805 CA ASN A 56 -0.179 -5.641 -10.310 1.00 0.00 C ATOM 806 C ASN A 56 0.943 -6.650 -10.532 1.00 0.00 C ATOM 807 O ASN A 56 1.874 -6.401 -11.296 1.00 0.00 O ATOM 808 CB ASN A 56 -0.197 -4.621 -11.450 1.00 0.00 C ATOM 809 CG ASN A 56 -1.557 -3.972 -11.625 1.00 0.00 C ATOM 810 OD1 ASN A 56 -2.583 -4.551 -11.268 1.00 0.00 O ATOM 811 ND2 ASN A 56 -1.569 -2.764 -12.176 1.00 0.00 N ATOM 0 H ASN A 56 0.887 -4.521 -8.893 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.128 -6.177 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.548 -3.850 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.090 -5.114 -12.379 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.454 -2.277 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.693 -2.323 -12.457 1.00 0.00 H new ATOM 818 N GLY A 57 0.846 -7.793 -9.860 1.00 0.00 N ATOM 819 CA GLY A 57 1.858 -8.824 -9.998 1.00 0.00 C ATOM 820 C GLY A 57 3.166 -8.445 -9.331 1.00 0.00 C ATOM 821 O GLY A 57 4.138 -9.197 -9.386 1.00 0.00 O ATOM 0 H GLY A 57 0.084 -8.023 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.488 -9.753 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.035 -9.016 -11.056 1.00 0.00 H new ATOM 825 N GLN A 58 3.189 -7.275 -8.700 1.00 0.00 N ATOM 826 CA GLN A 58 4.389 -6.798 -8.022 1.00 0.00 C ATOM 827 C GLN A 58 4.144 -6.649 -6.524 1.00 0.00 C ATOM 828 O GLN A 58 3.088 -6.180 -6.099 1.00 0.00 O ATOM 829 CB GLN A 58 4.836 -5.459 -8.613 1.00 0.00 C ATOM 830 CG GLN A 58 5.818 -5.600 -9.764 1.00 0.00 C ATOM 831 CD GLN A 58 6.649 -4.350 -9.979 1.00 0.00 C ATOM 832 OE1 GLN A 58 6.406 -3.582 -10.910 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.636 -4.140 -9.116 1.00 0.00 N ATOM 0 H GLN A 58 2.392 -6.641 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 58 5.178 -7.535 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.958 -4.913 -8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.294 -4.859 -7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.481 -6.443 -9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.270 -5.829 -10.678 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.801 -4.803 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.229 -3.315 -9.210 1.00 0.00 H new ATOM 842 N LYS A 59 5.128 -7.053 -5.726 1.00 0.00 N ATOM 843 CA LYS A 59 5.021 -6.965 -4.275 1.00 0.00 C ATOM 844 C LYS A 59 6.088 -6.034 -3.707 1.00 0.00 C ATOM 845 O LYS A 59 7.281 -6.228 -3.937 1.00 0.00 O ATOM 846 CB LYS A 59 5.155 -8.354 -3.648 1.00 0.00 C ATOM 847 CG LYS A 59 4.259 -9.400 -4.290 1.00 0.00 C ATOM 848 CD LYS A 59 4.764 -10.807 -4.020 1.00 0.00 C ATOM 849 CE LYS A 59 4.259 -11.335 -2.686 1.00 0.00 C ATOM 850 NZ LYS A 59 5.115 -10.886 -1.553 1.00 0.00 N ATOM 0 H LYS A 59 6.008 -7.445 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 59 4.040 -6.557 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.192 -8.680 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.919 -8.288 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.244 -9.297 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.212 -9.229 -5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.440 -11.471 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.854 -10.810 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.236 -10.996 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.233 -12.424 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.400 -11.710 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.963 -10.412 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.581 -10.222 -0.956 1.00 0.00 H new ATOM 864 N GLY A 60 5.650 -5.024 -2.961 1.00 0.00 N ATOM 865 CA GLY A 60 6.580 -4.080 -2.370 1.00 0.00 C ATOM 866 C GLY A 60 6.033 -3.436 -1.112 1.00 0.00 C ATOM 867 O GLY A 60 5.315 -4.074 -0.341 1.00 0.00 O ATOM 0 H GLY A 60 4.667 -4.843 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.513 -4.593 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.817 -3.304 -3.098 1.00 0.00 H new ATOM 871 N LEU A 61 6.371 -2.169 -0.903 1.00 0.00 N ATOM 872 CA LEU A 61 5.910 -1.437 0.272 1.00 0.00 C ATOM 873 C LEU A 61 4.877 -0.384 -0.114 1.00 0.00 C ATOM 874 O LEU A 61 4.827 0.062 -1.260 1.00 0.00 O ATOM 875 CB LEU A 61 7.092 -0.773 0.981 1.00 0.00 C ATOM 876 CG LEU A 61 8.137 -1.720 1.572 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.430 -0.973 1.860 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.606 -2.378 2.837 1.00 0.00 C ATOM 0 H LEU A 61 6.963 -1.626 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 61 5.441 -2.148 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.590 -0.111 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.703 -0.146 1.784 1.00 0.00 H new ATOM 0 HG LEU A 61 8.347 -2.501 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.163 -1.662 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.819 -0.550 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.236 -0.171 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.363 -3.048 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.367 -1.611 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.707 -2.947 2.601 1.00 0.00 H new ATOM 890 N VAL A 62 4.054 0.012 0.852 1.00 0.00 N ATOM 891 CA VAL A 62 3.023 1.016 0.615 1.00 0.00 C ATOM 892 C VAL A 62 2.644 1.731 1.907 1.00 0.00 C ATOM 893 O VAL A 62 2.354 1.107 2.928 1.00 0.00 O ATOM 894 CB VAL A 62 1.759 0.388 -0.002 1.00 0.00 C ATOM 895 CG1 VAL A 62 2.008 -0.001 -1.451 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.311 -0.816 0.813 1.00 0.00 C ATOM 0 H VAL A 62 4.081 -0.347 1.806 1.00 0.00 H new ATOM 0 HA VAL A 62 3.440 1.738 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 62 0.960 1.129 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.104 -0.443 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.278 0.886 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.821 -0.725 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.417 -1.248 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.106 -1.562 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.089 -0.503 1.833 1.00 0.00 H new ATOM 906 N PRO A 63 2.645 3.071 1.864 1.00 0.00 N ATOM 907 CA PRO A 63 2.303 3.901 3.023 1.00 0.00 C ATOM 908 C PRO A 63 0.822 3.816 3.379 1.00 0.00 C ATOM 909 O PRO A 63 -0.039 4.200 2.589 1.00 0.00 O ATOM 910 CB PRO A 63 2.662 5.316 2.565 1.00 0.00 C ATOM 911 CG PRO A 63 2.565 5.270 1.079 1.00 0.00 C ATOM 912 CD PRO A 63 2.981 3.881 0.681 1.00 0.00 C ATOM 0 HA PRO A 63 2.831 3.583 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.977 6.053 2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.665 5.594 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.549 5.483 0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.213 6.018 0.622 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.445 3.540 -0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.045 3.831 0.449 1.00 0.00 H new ATOM 920 N SER A 64 0.534 3.310 4.575 1.00 0.00 N ATOM 921 CA SER A 64 -0.843 3.172 5.034 1.00 0.00 C ATOM 922 C SER A 64 -1.568 4.513 4.989 1.00 0.00 C ATOM 923 O SER A 64 -2.797 4.566 4.952 1.00 0.00 O ATOM 924 CB SER A 64 -0.874 2.610 6.457 1.00 0.00 C ATOM 925 OG SER A 64 -2.196 2.588 6.967 1.00 0.00 O ATOM 0 H SER A 64 1.236 2.989 5.242 1.00 0.00 H new ATOM 0 HA SER A 64 -1.355 2.480 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.462 1.601 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.241 3.216 7.105 1.00 0.00 H new ATOM 0 HG SER A 64 -2.190 2.223 7.877 1.00 0.00 H new ATOM 931 N ASN A 65 -0.797 5.596 4.992 1.00 0.00 N ATOM 932 CA ASN A 65 -1.365 6.939 4.952 1.00 0.00 C ATOM 933 C ASN A 65 -1.854 7.281 3.548 1.00 0.00 C ATOM 934 O ASN A 65 -2.298 8.400 3.289 1.00 0.00 O ATOM 935 CB ASN A 65 -0.328 7.967 5.407 1.00 0.00 C ATOM 936 CG ASN A 65 0.565 7.437 6.513 1.00 0.00 C ATOM 937 OD1 ASN A 65 0.134 6.639 7.345 1.00 0.00 O ATOM 938 ND2 ASN A 65 1.816 7.880 6.526 1.00 0.00 N ATOM 0 H ASN A 65 0.222 5.570 5.022 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.217 6.967 5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.287 8.260 4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.839 8.865 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.463 7.559 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.130 8.542 5.816 1.00 0.00 H new ATOM 945 N PHE A 66 -1.770 6.310 2.644 1.00 0.00 N ATOM 946 CA PHE A 66 -2.203 6.508 1.266 1.00 0.00 C ATOM 947 C PHE A 66 -3.125 5.377 0.818 1.00 0.00 C ATOM 948 O PHE A 66 -3.225 5.077 -0.372 1.00 0.00 O ATOM 949 CB PHE A 66 -0.992 6.592 0.335 1.00 0.00 C ATOM 950 CG PHE A 66 -0.088 7.754 0.632 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.512 7.883 1.874 1.00 0.00 C ATOM 952 CD2 PHE A 66 0.161 8.719 -0.331 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.345 8.952 2.150 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.993 9.789 -0.061 1.00 0.00 C ATOM 955 CZ PHE A 66 1.584 9.906 1.181 1.00 0.00 C ATOM 0 H PHE A 66 -1.406 5.378 2.842 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.756 7.446 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.420 5.668 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.340 6.667 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.327 7.140 2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.300 8.634 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.808 9.040 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.181 10.533 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.233 10.743 1.394 1.00 0.00 H new ATOM 965 N LEU A 67 -3.796 4.753 1.780 1.00 0.00 N ATOM 966 CA LEU A 67 -4.710 3.654 1.486 1.00 0.00 C ATOM 967 C LEU A 67 -5.863 3.624 2.484 1.00 0.00 C ATOM 968 O LEU A 67 -5.778 4.208 3.564 1.00 0.00 O ATOM 969 CB LEU A 67 -3.961 2.321 1.514 1.00 0.00 C ATOM 970 CG LEU A 67 -2.518 2.351 1.010 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.745 1.150 1.534 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.485 2.386 -0.511 1.00 0.00 C ATOM 0 H LEU A 67 -3.725 4.989 2.770 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.121 3.812 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.959 1.950 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.519 1.601 0.915 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.041 3.257 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.720 1.188 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.739 1.168 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.221 0.232 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.450 2.407 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.979 1.499 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.002 3.278 -0.866 1.00 0.00 H new ATOM 984 N GLU A 68 -6.940 2.937 2.115 1.00 0.00 N ATOM 985 CA GLU A 68 -8.110 2.830 2.979 1.00 0.00 C ATOM 986 C GLU A 68 -8.773 1.464 2.830 1.00 0.00 C ATOM 987 O GLU A 68 -8.962 0.973 1.718 1.00 0.00 O ATOM 988 CB GLU A 68 -9.116 3.936 2.652 1.00 0.00 C ATOM 989 CG GLU A 68 -10.384 3.871 3.488 1.00 0.00 C ATOM 990 CD GLU A 68 -11.384 4.948 3.114 1.00 0.00 C ATOM 991 OE1 GLU A 68 -12.176 4.721 2.176 1.00 0.00 O ATOM 992 OE2 GLU A 68 -11.374 6.017 3.759 1.00 0.00 O ATOM 0 H GLU A 68 -7.026 2.447 1.225 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.779 2.943 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.640 4.905 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.383 3.873 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.847 2.892 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.125 3.971 4.542 1.00 0.00 H new ATOM 999 N GLU A 69 -9.123 0.856 3.960 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.763 -0.454 3.955 1.00 0.00 C ATOM 1001 C GLU A 69 -11.028 -0.438 3.101 1.00 0.00 C ATOM 1002 O GLU A 69 -12.017 0.207 3.449 1.00 0.00 O ATOM 1003 CB GLU A 69 -10.104 -0.885 5.383 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.840 -2.212 5.459 1.00 0.00 C ATOM 1005 CD GLU A 69 -11.553 -2.409 6.783 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -10.952 -2.101 7.833 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -12.714 -2.870 6.768 1.00 0.00 O ATOM 0 H GLU A 69 -8.974 1.250 4.889 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.063 -1.170 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.183 -0.956 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.715 -0.113 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.566 -2.267 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.131 -3.026 5.308 1.00 0.00 H new ATOM 1014 N VAL A 70 -10.988 -1.152 1.981 1.00 0.00 N ATOM 1015 CA VAL A 70 -12.130 -1.222 1.077 1.00 0.00 C ATOM 1016 C VAL A 70 -13.249 -2.071 1.669 1.00 0.00 C ATOM 1017 O VAL A 70 -13.033 -3.222 2.050 1.00 0.00 O ATOM 1018 CB VAL A 70 -11.728 -1.803 -0.291 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -12.956 -2.010 -1.165 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -10.720 -0.895 -0.980 1.00 0.00 C ATOM 0 H VAL A 70 -10.177 -1.691 1.678 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.487 -0.201 0.939 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.258 -2.773 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.652 -2.421 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.640 -2.703 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.457 -1.055 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.447 -1.321 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.161 0.091 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.829 -0.803 -0.359 1.00 0.00 H new ATOM 1030 N SER A 71 -14.445 -1.496 1.744 1.00 0.00 N ATOM 1031 CA SER A 71 -15.598 -2.200 2.293 1.00 0.00 C ATOM 1032 C SER A 71 -16.751 -2.214 1.295 1.00 0.00 C ATOM 1033 O SER A 71 -17.651 -1.377 1.357 1.00 0.00 O ATOM 1034 CB SER A 71 -16.047 -1.544 3.600 1.00 0.00 C ATOM 1035 OG SER A 71 -17.259 -2.112 4.066 1.00 0.00 O ATOM 0 H SER A 71 -14.641 -0.545 1.432 1.00 0.00 H new ATOM 0 HA SER A 71 -15.303 -3.230 2.494 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.271 -1.664 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.179 -0.473 3.446 1.00 0.00 H new ATOM 0 HG SER A 71 -17.524 -1.677 4.903 1.00 0.00 H new ATOM 1041 N GLY A 72 -16.717 -3.173 0.374 1.00 0.00 N ATOM 1042 CA GLY A 72 -17.765 -3.279 -0.625 1.00 0.00 C ATOM 1043 C GLY A 72 -17.520 -2.378 -1.819 1.00 0.00 C ATOM 1044 O GLY A 72 -16.389 -1.990 -2.110 1.00 0.00 O ATOM 0 H GLY A 72 -15.983 -3.878 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.838 -4.313 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -18.723 -3.024 -0.171 1.00 0.00 H new ATOM 1048 N PRO A 73 -18.601 -2.032 -2.535 1.00 0.00 N ATOM 1049 CA PRO A 73 -18.524 -1.167 -3.716 1.00 0.00 C ATOM 1050 C PRO A 73 -18.178 0.274 -3.358 1.00 0.00 C ATOM 1051 O PRO A 73 -18.328 0.692 -2.210 1.00 0.00 O ATOM 1052 CB PRO A 73 -19.933 -1.248 -4.307 1.00 0.00 C ATOM 1053 CG PRO A 73 -20.810 -1.590 -3.152 1.00 0.00 C ATOM 1054 CD PRO A 73 -19.980 -2.457 -2.246 1.00 0.00 C ATOM 0 HA PRO A 73 -17.740 -1.484 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.227 -0.301 -4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.992 -2.007 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.143 -0.690 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.705 -2.116 -3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.236 -2.304 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.127 -3.516 -2.458 1.00 0.00 H new ATOM 1062 N SER A 74 -17.715 1.030 -4.349 1.00 0.00 N ATOM 1063 CA SER A 74 -17.345 2.425 -4.137 1.00 0.00 C ATOM 1064 C SER A 74 -17.942 3.316 -5.222 1.00 0.00 C ATOM 1065 O SER A 74 -17.620 3.177 -6.402 1.00 0.00 O ATOM 1066 CB SER A 74 -15.823 2.574 -4.120 1.00 0.00 C ATOM 1067 OG SER A 74 -15.231 1.660 -3.212 1.00 0.00 O ATOM 0 H SER A 74 -17.587 0.700 -5.306 1.00 0.00 H new ATOM 0 HA SER A 74 -17.745 2.739 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.427 2.405 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.557 3.593 -3.840 1.00 0.00 H new ATOM 0 HG SER A 74 -14.258 1.774 -3.221 1.00 0.00 H new ATOM 1073 N SER A 75 -18.815 4.232 -4.813 1.00 0.00 N ATOM 1074 CA SER A 75 -19.461 5.144 -5.749 1.00 0.00 C ATOM 1075 C SER A 75 -19.069 6.589 -5.457 1.00 0.00 C ATOM 1076 O SER A 75 -19.184 7.059 -4.326 1.00 0.00 O ATOM 1077 CB SER A 75 -20.981 4.991 -5.676 1.00 0.00 C ATOM 1078 OG SER A 75 -21.424 3.910 -6.477 1.00 0.00 O ATOM 0 H SER A 75 -19.091 4.362 -3.840 1.00 0.00 H new ATOM 0 HA SER A 75 -19.126 4.891 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 75 -21.284 4.829 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 75 -21.459 5.913 -6.008 1.00 0.00 H new ATOM 0 HG SER A 75 -22.399 3.832 -6.412 1.00 0.00 H new ATOM 1084 N GLY A 76 -18.605 7.290 -6.488 1.00 0.00 N ATOM 1085 CA GLY A 76 -18.202 8.674 -6.323 1.00 0.00 C ATOM 1086 C GLY A 76 -17.067 9.062 -7.249 1.00 0.00 C ATOM 1087 O GLY A 76 -16.912 8.488 -8.326 1.00 0.00 O ATOM 0 H GLY A 76 -18.501 6.924 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.057 9.323 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.897 8.839 -5.290 1.00 0.00 H new TER 1091 GLY A 76