USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=19 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 172:sc= 2.15 USER MOD Set 1.2: A 22 SER OG : rot 87:sc= 0.773 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 4:sc= 1.09 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 151:sc=-0.00634 (180deg=-0.97) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.59! C(o=-1.6!,f=-1.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -26:sc= 0.0681 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.2) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) 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 3.866 -22.710 8.099 1.00 0.00 N ATOM 2 CA GLY A 1 3.084 -21.549 7.719 1.00 0.00 C ATOM 3 C GLY A 1 1.592 -21.788 7.841 1.00 0.00 C ATOM 4 O GLY A 1 1.079 -21.999 8.940 1.00 0.00 O ATOM 0 H1 GLY A 1 4.878 -22.495 7.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.662 -22.958 9.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.619 -23.511 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.366 -20.704 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.322 -21.275 6.691 1.00 0.00 H new ATOM 8 N SER A 2 0.894 -21.754 6.711 1.00 0.00 N ATOM 9 CA SER A 2 -0.549 -21.964 6.697 1.00 0.00 C ATOM 10 C SER A 2 -1.029 -22.343 5.299 1.00 0.00 C ATOM 11 O SER A 2 -0.287 -22.229 4.324 1.00 0.00 O ATOM 12 CB SER A 2 -1.273 -20.704 7.174 1.00 0.00 C ATOM 13 OG SER A 2 -1.137 -20.536 8.574 1.00 0.00 O ATOM 0 H SER A 2 1.304 -21.583 5.793 1.00 0.00 H new ATOM 0 HA SER A 2 -0.779 -22.785 7.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.869 -19.832 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.329 -20.767 6.913 1.00 0.00 H new ATOM 0 HG SER A 2 -0.545 -21.231 8.931 1.00 0.00 H new ATOM 19 N SER A 3 -2.277 -22.794 5.211 1.00 0.00 N ATOM 20 CA SER A 3 -2.857 -23.193 3.934 1.00 0.00 C ATOM 21 C SER A 3 -2.669 -22.100 2.887 1.00 0.00 C ATOM 22 O SER A 3 -2.248 -22.368 1.762 1.00 0.00 O ATOM 23 CB SER A 3 -4.345 -23.505 4.101 1.00 0.00 C ATOM 24 OG SER A 3 -5.022 -22.437 4.740 1.00 0.00 O ATOM 0 H SER A 3 -2.905 -22.892 6.009 1.00 0.00 H new ATOM 0 HA SER A 3 -2.341 -24.091 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.792 -23.691 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.465 -24.417 4.685 1.00 0.00 H new ATOM 0 HG SER A 3 -5.972 -22.661 4.833 1.00 0.00 H new ATOM 30 N GLY A 4 -2.986 -20.865 3.265 1.00 0.00 N ATOM 31 CA GLY A 4 -2.847 -19.749 2.348 1.00 0.00 C ATOM 32 C GLY A 4 -3.508 -18.487 2.866 1.00 0.00 C ATOM 33 O GLY A 4 -4.590 -18.115 2.412 1.00 0.00 O ATOM 0 H GLY A 4 -3.337 -20.618 4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.789 -19.556 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.285 -20.016 1.386 1.00 0.00 H new ATOM 37 N SER A 5 -2.858 -17.829 3.820 1.00 0.00 N ATOM 38 CA SER A 5 -3.392 -16.604 4.404 1.00 0.00 C ATOM 39 C SER A 5 -3.678 -15.566 3.322 1.00 0.00 C ATOM 40 O SER A 5 -3.134 -15.636 2.220 1.00 0.00 O ATOM 41 CB SER A 5 -2.411 -16.032 5.429 1.00 0.00 C ATOM 42 OG SER A 5 -1.143 -15.792 4.843 1.00 0.00 O ATOM 0 H SER A 5 -1.961 -18.123 4.205 1.00 0.00 H new ATOM 0 HA SER A 5 -4.328 -16.848 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.808 -15.103 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.304 -16.727 6.262 1.00 0.00 H new ATOM 0 HG SER A 5 -0.535 -15.425 5.518 1.00 0.00 H new ATOM 48 N SER A 6 -4.535 -14.604 3.647 1.00 0.00 N ATOM 49 CA SER A 6 -4.897 -13.553 2.703 1.00 0.00 C ATOM 50 C SER A 6 -4.752 -12.175 3.342 1.00 0.00 C ATOM 51 O SER A 6 -4.644 -12.052 4.562 1.00 0.00 O ATOM 52 CB SER A 6 -6.333 -13.751 2.212 1.00 0.00 C ATOM 53 OG SER A 6 -6.527 -13.146 0.945 1.00 0.00 O ATOM 0 H SER A 6 -4.992 -14.530 4.556 1.00 0.00 H new ATOM 0 HA SER A 6 -4.218 -13.614 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.555 -14.816 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.029 -13.323 2.933 1.00 0.00 H new ATOM 0 HG SER A 6 -7.452 -13.288 0.653 1.00 0.00 H new ATOM 59 N GLY A 7 -4.750 -11.140 2.508 1.00 0.00 N ATOM 60 CA GLY A 7 -4.617 -9.784 3.009 1.00 0.00 C ATOM 61 C GLY A 7 -5.848 -8.942 2.736 1.00 0.00 C ATOM 62 O GLY A 7 -6.811 -9.416 2.134 1.00 0.00 O ATOM 0 H GLY A 7 -4.838 -11.216 1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.431 -9.813 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.749 -9.313 2.548 1.00 0.00 H new ATOM 66 N ARG A 8 -5.817 -7.690 3.182 1.00 0.00 N ATOM 67 CA ARG A 8 -6.940 -6.782 2.985 1.00 0.00 C ATOM 68 C ARG A 8 -6.691 -5.858 1.797 1.00 0.00 C ATOM 69 O ARG A 8 -5.591 -5.330 1.628 1.00 0.00 O ATOM 70 CB ARG A 8 -7.179 -5.952 4.248 1.00 0.00 C ATOM 71 CG ARG A 8 -6.175 -4.827 4.437 1.00 0.00 C ATOM 72 CD ARG A 8 -6.607 -3.874 5.540 1.00 0.00 C ATOM 73 NE ARG A 8 -6.195 -4.343 6.861 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.473 -3.698 7.989 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.159 -2.564 7.957 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.063 -4.188 9.152 1.00 0.00 N ATOM 0 H ARG A 8 -5.027 -7.282 3.682 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.827 -7.381 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.183 -5.529 4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.143 -6.609 5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.198 -5.246 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.063 -4.277 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.179 -2.888 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.691 -3.761 5.517 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.665 -5.213 6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.475 -2.184 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.371 -2.071 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.534 -5.060 9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.276 -3.693 10.018 1.00 0.00 H new ATOM 90 N ARG A 9 -7.718 -5.669 0.975 1.00 0.00 N ATOM 91 CA ARG A 9 -7.610 -4.811 -0.198 1.00 0.00 C ATOM 92 C ARG A 9 -7.854 -3.351 0.171 1.00 0.00 C ATOM 93 O ARG A 9 -8.976 -2.961 0.494 1.00 0.00 O ATOM 94 CB ARG A 9 -8.607 -5.250 -1.272 1.00 0.00 C ATOM 95 CG ARG A 9 -8.256 -6.577 -1.924 1.00 0.00 C ATOM 96 CD ARG A 9 -9.496 -7.294 -2.432 1.00 0.00 C ATOM 97 NE ARG A 9 -10.141 -8.081 -1.385 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.249 -8.790 -1.575 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.830 -8.811 -2.766 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.776 -9.481 -0.572 1.00 0.00 N ATOM 0 H ARG A 9 -8.635 -6.099 1.100 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.598 -4.904 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.599 -5.325 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.661 -4.480 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.569 -6.406 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.737 -7.211 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.203 -6.562 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.223 -7.948 -3.260 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.718 -8.087 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.427 -8.282 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.680 -9.356 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.331 -9.468 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.626 -10.025 -0.719 1.00 0.00 H new ATOM 114 N MET A 10 -6.795 -2.548 0.122 1.00 0.00 N ATOM 115 CA MET A 10 -6.895 -1.131 0.451 1.00 0.00 C ATOM 116 C MET A 10 -7.020 -0.287 -0.813 1.00 0.00 C ATOM 117 O MET A 10 -6.457 -0.624 -1.855 1.00 0.00 O ATOM 118 CB MET A 10 -5.674 -0.685 1.257 1.00 0.00 C ATOM 119 CG MET A 10 -5.188 -1.728 2.250 1.00 0.00 C ATOM 120 SD MET A 10 -4.130 -1.028 3.531 1.00 0.00 S ATOM 121 CE MET A 10 -5.340 -0.180 4.544 1.00 0.00 C ATOM 0 H MET A 10 -5.859 -2.855 -0.142 1.00 0.00 H new ATOM 0 HA MET A 10 -7.792 -0.986 1.054 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.863 -0.444 0.570 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.919 0.231 1.795 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.048 -2.208 2.717 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.640 -2.505 1.716 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.991 -0.146 5.576 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.477 0.836 4.174 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.290 -0.713 4.499 1.00 0.00 H new ATOM 131 N VAL A 11 -7.762 0.811 -0.715 1.00 0.00 N ATOM 132 CA VAL A 11 -7.960 1.704 -1.851 1.00 0.00 C ATOM 133 C VAL A 11 -7.140 2.980 -1.697 1.00 0.00 C ATOM 134 O VAL A 11 -7.253 3.686 -0.695 1.00 0.00 O ATOM 135 CB VAL A 11 -9.445 2.079 -2.018 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.954 2.808 -0.784 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.643 2.924 -3.267 1.00 0.00 C ATOM 0 H VAL A 11 -8.236 1.104 0.139 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.626 1.166 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.023 1.162 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.004 3.065 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.848 2.164 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.374 3.719 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.698 3.180 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.054 3.838 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.319 2.361 -4.142 1.00 0.00 H new ATOM 147 N ALA A 12 -6.314 3.270 -2.697 1.00 0.00 N ATOM 148 CA ALA A 12 -5.475 4.462 -2.674 1.00 0.00 C ATOM 149 C ALA A 12 -6.324 5.729 -2.641 1.00 0.00 C ATOM 150 O ALA A 12 -7.112 5.984 -3.552 1.00 0.00 O ATOM 151 CB ALA A 12 -4.547 4.477 -3.879 1.00 0.00 C ATOM 0 H ALA A 12 -6.208 2.696 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.872 4.436 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.926 5.373 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.910 3.593 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.139 4.476 -4.794 1.00 0.00 H new ATOM 157 N LEU A 13 -6.158 6.519 -1.586 1.00 0.00 N ATOM 158 CA LEU A 13 -6.910 7.760 -1.434 1.00 0.00 C ATOM 159 C LEU A 13 -6.204 8.913 -2.140 1.00 0.00 C ATOM 160 O LEU A 13 -6.811 9.949 -2.417 1.00 0.00 O ATOM 161 CB LEU A 13 -7.093 8.090 0.049 1.00 0.00 C ATOM 162 CG LEU A 13 -7.753 7.005 0.901 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.584 7.313 2.381 1.00 0.00 C ATOM 164 CD2 LEU A 13 -9.226 6.871 0.547 1.00 0.00 C ATOM 0 H LEU A 13 -5.510 6.323 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.889 7.622 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.115 8.313 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.690 8.999 0.128 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.262 6.055 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.060 6.530 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.522 7.357 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.049 8.273 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.679 6.094 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.732 7.819 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.324 6.603 -0.505 1.00 0.00 H new ATOM 176 N TYR A 14 -4.922 8.727 -2.430 1.00 0.00 N ATOM 177 CA TYR A 14 -4.134 9.752 -3.104 1.00 0.00 C ATOM 178 C TYR A 14 -2.907 9.142 -3.776 1.00 0.00 C ATOM 179 O TYR A 14 -2.143 8.407 -3.150 1.00 0.00 O ATOM 180 CB TYR A 14 -3.700 10.828 -2.108 1.00 0.00 C ATOM 181 CG TYR A 14 -4.717 11.092 -1.020 1.00 0.00 C ATOM 182 CD1 TYR A 14 -4.705 10.362 0.162 1.00 0.00 C ATOM 183 CD2 TYR A 14 -5.690 12.072 -1.175 1.00 0.00 C ATOM 184 CE1 TYR A 14 -5.633 10.600 1.157 1.00 0.00 C ATOM 185 CE2 TYR A 14 -6.621 12.317 -0.184 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.588 11.578 0.980 1.00 0.00 C ATOM 187 OH TYR A 14 -7.513 11.818 1.970 1.00 0.00 O ATOM 0 H TYR A 14 -4.406 7.876 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.759 10.207 -3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.759 10.527 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.509 11.755 -2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.958 9.596 0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.719 12.652 -2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.610 10.023 2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.370 13.083 -0.320 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.114 12.539 1.688 1.00 0.00 H new ATOM 197 N ASP A 15 -2.726 9.453 -5.055 1.00 0.00 N ATOM 198 CA ASP A 15 -1.592 8.938 -5.814 1.00 0.00 C ATOM 199 C ASP A 15 -0.302 9.051 -5.008 1.00 0.00 C ATOM 200 O ASP A 15 -0.027 10.085 -4.400 1.00 0.00 O ATOM 201 CB ASP A 15 -1.450 9.695 -7.136 1.00 0.00 C ATOM 202 CG ASP A 15 -0.012 9.763 -7.612 1.00 0.00 C ATOM 203 OD1 ASP A 15 0.559 8.699 -7.929 1.00 0.00 O ATOM 204 OD2 ASP A 15 0.541 10.881 -7.667 1.00 0.00 O ATOM 0 H ASP A 15 -3.350 10.059 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.776 7.885 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.059 9.208 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.838 10.706 -7.016 1.00 0.00 H new ATOM 209 N TYR A 16 0.483 7.980 -5.006 1.00 0.00 N ATOM 210 CA TYR A 16 1.743 7.957 -4.271 1.00 0.00 C ATOM 211 C TYR A 16 2.931 7.962 -5.227 1.00 0.00 C ATOM 212 O TYR A 16 2.776 7.752 -6.431 1.00 0.00 O ATOM 213 CB TYR A 16 1.807 6.725 -3.366 1.00 0.00 C ATOM 214 CG TYR A 16 3.088 6.625 -2.570 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.380 7.542 -1.568 1.00 0.00 C ATOM 216 CD2 TYR A 16 4.008 5.614 -2.821 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.550 7.456 -0.838 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.180 5.519 -2.095 1.00 0.00 C ATOM 219 CZ TYR A 16 5.446 6.442 -1.105 1.00 0.00 C ATOM 220 OH TYR A 16 6.613 6.351 -0.381 1.00 0.00 O ATOM 0 H TYR A 16 0.270 7.116 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 16 1.792 8.855 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.962 6.746 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.698 5.829 -3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.680 8.336 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.804 4.891 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.762 8.178 -0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.884 4.726 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 16 7.072 5.514 -0.603 1.00 0.00 H new ATOM 230 N ASP A 17 4.119 8.202 -4.683 1.00 0.00 N ATOM 231 CA ASP A 17 5.336 8.233 -5.485 1.00 0.00 C ATOM 232 C ASP A 17 6.574 8.142 -4.599 1.00 0.00 C ATOM 233 O ASP A 17 6.961 9.102 -3.931 1.00 0.00 O ATOM 234 CB ASP A 17 5.387 9.510 -6.325 1.00 0.00 C ATOM 235 CG ASP A 17 6.140 9.318 -7.626 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.922 8.284 -8.291 1.00 0.00 O ATOM 237 OD2 ASP A 17 6.950 10.202 -7.979 1.00 0.00 O ATOM 0 H ASP A 17 4.265 8.378 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 17 5.324 7.370 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.371 9.839 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.862 10.303 -5.747 1.00 0.00 H new ATOM 242 N PRO A 18 7.212 6.962 -4.590 1.00 0.00 N ATOM 243 CA PRO A 18 8.415 6.719 -3.790 1.00 0.00 C ATOM 244 C PRO A 18 9.626 7.480 -4.317 1.00 0.00 C ATOM 245 O PRO A 18 10.696 7.464 -3.707 1.00 0.00 O ATOM 246 CB PRO A 18 8.632 5.209 -3.925 1.00 0.00 C ATOM 247 CG PRO A 18 7.982 4.848 -5.216 1.00 0.00 C ATOM 248 CD PRO A 18 6.807 5.775 -5.362 1.00 0.00 C ATOM 0 HA PRO A 18 8.294 7.056 -2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.693 4.960 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.184 4.668 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.676 4.964 -6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.660 3.807 -5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.616 6.021 -6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.893 5.331 -4.967 1.00 0.00 H new ATOM 256 N ARG A 19 9.452 8.147 -5.453 1.00 0.00 N ATOM 257 CA ARG A 19 10.531 8.914 -6.062 1.00 0.00 C ATOM 258 C ARG A 19 10.434 10.388 -5.680 1.00 0.00 C ATOM 259 O ARG A 19 11.344 11.171 -5.951 1.00 0.00 O ATOM 260 CB ARG A 19 10.494 8.768 -7.584 1.00 0.00 C ATOM 261 CG ARG A 19 10.863 7.377 -8.072 1.00 0.00 C ATOM 262 CD ARG A 19 10.927 7.317 -9.590 1.00 0.00 C ATOM 263 NE ARG A 19 11.924 8.235 -10.133 1.00 0.00 N ATOM 264 CZ ARG A 19 11.684 9.517 -10.381 1.00 0.00 C ATOM 265 NH1 ARG A 19 10.487 10.031 -10.137 1.00 0.00 N ATOM 266 NH2 ARG A 19 12.644 10.289 -10.875 1.00 0.00 N ATOM 0 H ARG A 19 8.573 8.172 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 19 11.477 8.521 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.494 9.015 -7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.178 9.492 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.828 7.088 -7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.130 6.657 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.163 6.300 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.948 7.559 -10.004 1.00 0.00 H new ATOM 0 HE ARG A 19 12.856 7.872 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.746 9.441 -9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.306 11.016 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.567 9.897 -11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.459 11.274 -11.065 1.00 0.00 H new ATOM 280 N GLU A 20 9.323 10.759 -5.050 1.00 0.00 N ATOM 281 CA GLU A 20 9.107 12.139 -4.632 1.00 0.00 C ATOM 282 C GLU A 20 8.837 12.218 -3.132 1.00 0.00 C ATOM 283 O GLU A 20 9.478 12.985 -2.414 1.00 0.00 O ATOM 284 CB GLU A 20 7.938 12.752 -5.405 1.00 0.00 C ATOM 285 CG GLU A 20 8.340 13.354 -6.740 1.00 0.00 C ATOM 286 CD GLU A 20 8.742 14.812 -6.626 1.00 0.00 C ATOM 287 OE1 GLU A 20 9.569 15.131 -5.746 1.00 0.00 O ATOM 288 OE2 GLU A 20 8.230 15.633 -7.415 1.00 0.00 O ATOM 0 H GLU A 20 8.560 10.123 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 20 10.013 12.704 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.183 11.984 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.474 13.525 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.170 12.784 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.509 13.264 -7.440 1.00 0.00 H new ATOM 295 N SER A 21 7.883 11.418 -2.666 1.00 0.00 N ATOM 296 CA SER A 21 7.524 11.399 -1.253 1.00 0.00 C ATOM 297 C SER A 21 8.626 10.751 -0.421 1.00 0.00 C ATOM 298 O SER A 21 9.010 11.265 0.630 1.00 0.00 O ATOM 299 CB SER A 21 6.207 10.648 -1.049 1.00 0.00 C ATOM 300 OG SER A 21 5.191 11.161 -1.894 1.00 0.00 O ATOM 0 H SER A 21 7.345 10.775 -3.247 1.00 0.00 H new ATOM 0 HA SER A 21 7.401 12.430 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.354 9.588 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.895 10.731 -0.008 1.00 0.00 H new ATOM 0 HG SER A 21 4.360 10.663 -1.746 1.00 0.00 H new ATOM 306 N SER A 22 9.131 9.618 -0.899 1.00 0.00 N ATOM 307 CA SER A 22 10.186 8.896 -0.199 1.00 0.00 C ATOM 308 C SER A 22 11.549 9.524 -0.474 1.00 0.00 C ATOM 309 O SER A 22 11.810 10.057 -1.553 1.00 0.00 O ATOM 310 CB SER A 22 10.195 7.426 -0.622 1.00 0.00 C ATOM 311 OG SER A 22 9.313 6.659 0.181 1.00 0.00 O ATOM 0 H SER A 22 8.826 9.181 -1.769 1.00 0.00 H new ATOM 0 HA SER A 22 9.986 8.958 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.903 7.344 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.206 7.027 -0.541 1.00 0.00 H new ATOM 0 HG SER A 22 8.411 6.690 -0.202 1.00 0.00 H new ATOM 317 N PRO A 23 12.442 9.461 0.526 1.00 0.00 N ATOM 318 CA PRO A 23 13.794 10.017 0.416 1.00 0.00 C ATOM 319 C PRO A 23 14.670 9.225 -0.548 1.00 0.00 C ATOM 320 O PRO A 23 15.875 9.458 -0.640 1.00 0.00 O ATOM 321 CB PRO A 23 14.337 9.912 1.843 1.00 0.00 C ATOM 322 CG PRO A 23 13.569 8.794 2.460 1.00 0.00 C ATOM 323 CD PRO A 23 12.200 8.841 1.839 1.00 0.00 C ATOM 0 HA PRO A 23 13.786 11.033 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.407 9.705 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.191 10.843 2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.052 7.836 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.511 8.911 3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.769 7.845 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.506 9.429 2.440 1.00 0.00 H new ATOM 331 N ASN A 24 14.058 8.288 -1.264 1.00 0.00 N ATOM 332 CA ASN A 24 14.783 7.461 -2.221 1.00 0.00 C ATOM 333 C ASN A 24 15.621 6.407 -1.504 1.00 0.00 C ATOM 334 O ASN A 24 16.806 6.240 -1.790 1.00 0.00 O ATOM 335 CB ASN A 24 15.683 8.332 -3.100 1.00 0.00 C ATOM 336 CG ASN A 24 15.040 9.660 -3.449 1.00 0.00 C ATOM 337 OD1 ASN A 24 13.994 9.705 -4.096 1.00 0.00 O ATOM 338 ND2 ASN A 24 15.664 10.751 -3.019 1.00 0.00 N ATOM 0 H ASN A 24 13.061 8.082 -1.200 1.00 0.00 H new ATOM 0 HA ASN A 24 14.053 6.953 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.626 8.513 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.920 7.794 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.278 11.673 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.529 10.667 -2.486 1.00 0.00 H new ATOM 345 N VAL A 25 14.996 5.697 -0.570 1.00 0.00 N ATOM 346 CA VAL A 25 15.682 4.657 0.187 1.00 0.00 C ATOM 347 C VAL A 25 15.270 3.268 -0.287 1.00 0.00 C ATOM 348 O VAL A 25 14.309 2.688 0.218 1.00 0.00 O ATOM 349 CB VAL A 25 15.394 4.778 1.695 1.00 0.00 C ATOM 350 CG1 VAL A 25 16.236 5.885 2.313 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.913 5.027 1.936 1.00 0.00 C ATOM 0 H VAL A 25 14.015 5.823 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 25 16.750 4.794 0.016 1.00 0.00 H new ATOM 0 HB VAL A 25 15.664 3.837 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 25 16.019 5.955 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 25 17.293 5.660 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.000 6.834 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.728 5.110 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.615 5.952 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.334 4.197 1.531 1.00 0.00 H new ATOM 361 N ASP A 26 16.003 2.740 -1.261 1.00 0.00 N ATOM 362 CA ASP A 26 15.715 1.418 -1.804 1.00 0.00 C ATOM 363 C ASP A 26 14.311 1.368 -2.399 1.00 0.00 C ATOM 364 O ASP A 26 13.691 0.307 -2.467 1.00 0.00 O ATOM 365 CB ASP A 26 15.858 0.353 -0.715 1.00 0.00 C ATOM 366 CG ASP A 26 17.278 -0.163 -0.594 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.732 -0.871 -1.517 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.936 0.140 0.424 1.00 0.00 O ATOM 0 H ASP A 26 16.801 3.208 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 26 16.434 1.215 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.543 0.771 0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.189 -0.479 -0.935 1.00 0.00 H new ATOM 373 N VAL A 27 13.814 2.525 -2.827 1.00 0.00 N ATOM 374 CA VAL A 27 12.483 2.614 -3.416 1.00 0.00 C ATOM 375 C VAL A 27 12.251 1.492 -4.423 1.00 0.00 C ATOM 376 O VAL A 27 11.117 1.069 -4.644 1.00 0.00 O ATOM 377 CB VAL A 27 12.268 3.969 -4.116 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.269 5.101 -3.099 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.334 4.195 -5.178 1.00 0.00 C ATOM 0 H VAL A 27 14.313 3.413 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 27 11.769 2.518 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 27 11.295 3.954 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.116 6.051 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.466 4.944 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.226 5.120 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.167 5.157 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.319 4.190 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.281 3.400 -5.922 1.00 0.00 H new ATOM 389 N GLU A 28 13.334 1.016 -5.029 1.00 0.00 N ATOM 390 CA GLU A 28 13.248 -0.057 -6.013 1.00 0.00 C ATOM 391 C GLU A 28 12.282 -1.144 -5.550 1.00 0.00 C ATOM 392 O GLU A 28 11.738 -1.893 -6.361 1.00 0.00 O ATOM 393 CB GLU A 28 14.631 -0.661 -6.264 1.00 0.00 C ATOM 394 CG GLU A 28 15.515 0.193 -7.158 1.00 0.00 C ATOM 395 CD GLU A 28 15.917 1.500 -6.503 1.00 0.00 C ATOM 396 OE1 GLU A 28 16.615 1.454 -5.467 1.00 0.00 O ATOM 397 OE2 GLU A 28 15.535 2.568 -7.024 1.00 0.00 O ATOM 0 H GLU A 28 14.280 1.356 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 28 12.871 0.367 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.132 -0.810 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.512 -1.645 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.412 -0.369 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.988 0.404 -8.089 1.00 0.00 H new ATOM 404 N ALA A 29 12.076 -1.224 -4.239 1.00 0.00 N ATOM 405 CA ALA A 29 11.176 -2.218 -3.667 1.00 0.00 C ATOM 406 C ALA A 29 9.783 -1.637 -3.451 1.00 0.00 C ATOM 407 O ALA A 29 8.784 -2.353 -3.522 1.00 0.00 O ATOM 408 CB ALA A 29 11.739 -2.747 -2.356 1.00 0.00 C ATOM 0 H ALA A 29 12.520 -0.613 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 29 11.091 -3.044 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.057 -3.488 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.710 -3.208 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.854 -1.924 -1.651 1.00 0.00 H new ATOM 414 N GLU A 30 9.724 -0.335 -3.186 1.00 0.00 N ATOM 415 CA GLU A 30 8.452 0.340 -2.958 1.00 0.00 C ATOM 416 C GLU A 30 7.538 0.203 -4.172 1.00 0.00 C ATOM 417 O GLU A 30 7.997 -0.065 -5.283 1.00 0.00 O ATOM 418 CB GLU A 30 8.684 1.820 -2.645 1.00 0.00 C ATOM 419 CG GLU A 30 8.937 2.098 -1.173 1.00 0.00 C ATOM 420 CD GLU A 30 8.795 3.567 -0.824 1.00 0.00 C ATOM 421 OE1 GLU A 30 7.668 3.994 -0.497 1.00 0.00 O ATOM 422 OE2 GLU A 30 9.813 4.290 -0.878 1.00 0.00 O ATOM 0 H GLU A 30 10.541 0.272 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 30 7.967 -0.133 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.535 2.176 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.815 2.392 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.238 1.516 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.940 1.761 -0.911 1.00 0.00 H new ATOM 429 N LEU A 31 6.241 0.389 -3.953 1.00 0.00 N ATOM 430 CA LEU A 31 5.260 0.286 -5.028 1.00 0.00 C ATOM 431 C LEU A 31 4.727 1.663 -5.412 1.00 0.00 C ATOM 432 O LEU A 31 4.431 2.490 -4.549 1.00 0.00 O ATOM 433 CB LEU A 31 4.104 -0.621 -4.604 1.00 0.00 C ATOM 434 CG LEU A 31 4.419 -2.115 -4.518 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.252 -2.872 -3.905 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.753 -2.670 -5.895 1.00 0.00 C ATOM 0 H LEU A 31 5.844 0.612 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 31 5.754 -0.148 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.747 -0.289 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.283 -0.483 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 31 5.289 -2.247 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.494 -3.933 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.060 -2.493 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.364 -2.733 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.974 -3.734 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.903 -2.526 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.622 -2.148 -6.297 1.00 0.00 H new ATOM 448 N THR A 32 4.605 1.902 -6.715 1.00 0.00 N ATOM 449 CA THR A 32 4.107 3.177 -7.214 1.00 0.00 C ATOM 450 C THR A 32 2.697 3.035 -7.775 1.00 0.00 C ATOM 451 O THR A 32 2.512 2.617 -8.918 1.00 0.00 O ATOM 452 CB THR A 32 5.027 3.750 -8.309 1.00 0.00 C ATOM 453 OG1 THR A 32 6.398 3.613 -7.918 1.00 0.00 O ATOM 454 CG2 THR A 32 4.712 5.215 -8.568 1.00 0.00 C ATOM 0 H THR A 32 4.845 1.229 -7.443 1.00 0.00 H new ATOM 0 HA THR A 32 4.091 3.863 -6.367 1.00 0.00 H new ATOM 0 HB THR A 32 4.854 3.190 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.976 3.978 -8.620 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.374 5.598 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.676 5.312 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.859 5.786 -7.652 1.00 0.00 H new ATOM 462 N PHE A 33 1.704 3.385 -6.964 1.00 0.00 N ATOM 463 CA PHE A 33 0.309 3.296 -7.379 1.00 0.00 C ATOM 464 C PHE A 33 -0.300 4.686 -7.541 1.00 0.00 C ATOM 465 O PHE A 33 0.376 5.698 -7.350 1.00 0.00 O ATOM 466 CB PHE A 33 -0.498 2.489 -6.361 1.00 0.00 C ATOM 467 CG PHE A 33 -0.212 2.866 -4.935 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.933 2.413 -4.301 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.090 3.673 -4.229 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.199 2.758 -2.989 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.829 4.022 -2.918 1.00 0.00 C ATOM 472 CZ PHE A 33 0.316 3.563 -2.296 1.00 0.00 C ATOM 0 H PHE A 33 1.840 3.733 -6.015 1.00 0.00 H new ATOM 0 HA PHE A 33 0.275 2.789 -8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.561 2.628 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.284 1.429 -6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.626 1.783 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.988 4.033 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.096 2.399 -2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.520 4.654 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.520 3.833 -1.270 1.00 0.00 H new ATOM 482 N CYS A 34 -1.579 4.726 -7.895 1.00 0.00 N ATOM 483 CA CYS A 34 -2.280 5.992 -8.084 1.00 0.00 C ATOM 484 C CYS A 34 -3.584 6.014 -7.293 1.00 0.00 C ATOM 485 O CYS A 34 -3.982 5.011 -6.700 1.00 0.00 O ATOM 486 CB CYS A 34 -2.566 6.223 -9.569 1.00 0.00 C ATOM 487 SG CYS A 34 -1.193 6.969 -10.477 1.00 0.00 S ATOM 0 H CYS A 34 -2.152 3.898 -8.057 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.639 6.793 -7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.818 5.269 -10.032 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.442 6.865 -9.664 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.462 7.668 -9.661 1.00 0.00 H new ATOM 493 N THR A 35 -4.247 7.167 -7.287 1.00 0.00 N ATOM 494 CA THR A 35 -5.504 7.322 -6.566 1.00 0.00 C ATOM 495 C THR A 35 -6.547 6.326 -7.061 1.00 0.00 C ATOM 496 O THR A 35 -6.918 6.332 -8.234 1.00 0.00 O ATOM 497 CB THR A 35 -6.063 8.750 -6.714 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.150 9.695 -6.146 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.418 8.873 -6.031 1.00 0.00 C ATOM 0 H THR A 35 -3.934 8.007 -7.774 1.00 0.00 H new ATOM 0 HA THR A 35 -5.292 7.130 -5.514 1.00 0.00 H new ATOM 0 HB THR A 35 -6.188 8.960 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.512 10.600 -6.246 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.794 9.890 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.119 8.173 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.313 8.645 -4.970 1.00 0.00 H new ATOM 507 N GLY A 36 -7.018 5.472 -6.157 1.00 0.00 N ATOM 508 CA GLY A 36 -8.015 4.482 -6.521 1.00 0.00 C ATOM 509 C GLY A 36 -7.431 3.089 -6.644 1.00 0.00 C ATOM 510 O GLY A 36 -8.087 2.101 -6.312 1.00 0.00 O ATOM 0 H GLY A 36 -6.727 5.448 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.807 4.476 -5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.475 4.765 -7.468 1.00 0.00 H new ATOM 514 N ASP A 37 -6.195 3.008 -7.124 1.00 0.00 N ATOM 515 CA ASP A 37 -5.522 1.725 -7.291 1.00 0.00 C ATOM 516 C ASP A 37 -5.594 0.902 -6.009 1.00 0.00 C ATOM 517 O ASP A 37 -5.130 1.337 -4.954 1.00 0.00 O ATOM 518 CB ASP A 37 -4.062 1.939 -7.693 1.00 0.00 C ATOM 519 CG ASP A 37 -3.912 2.304 -9.157 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.735 3.099 -9.658 1.00 0.00 O ATOM 521 OD2 ASP A 37 -2.971 1.796 -9.801 1.00 0.00 O ATOM 0 H ASP A 37 -5.639 3.816 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.032 1.176 -8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.631 2.729 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.495 1.031 -7.488 1.00 0.00 H new ATOM 526 N ILE A 38 -6.179 -0.287 -6.107 1.00 0.00 N ATOM 527 CA ILE A 38 -6.312 -1.169 -4.954 1.00 0.00 C ATOM 528 C ILE A 38 -5.013 -1.922 -4.686 1.00 0.00 C ATOM 529 O ILE A 38 -4.334 -2.359 -5.615 1.00 0.00 O ATOM 530 CB ILE A 38 -7.451 -2.187 -5.153 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.739 -1.471 -5.561 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.667 -2.995 -3.882 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.313 -0.592 -4.471 1.00 0.00 C ATOM 0 H ILE A 38 -6.568 -0.662 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.546 -0.537 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.170 -2.872 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.542 -0.861 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.483 -2.214 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.475 -3.710 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.752 -3.531 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.930 -2.324 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.225 -0.116 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.542 -1.200 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.586 0.174 -4.201 1.00 0.00 H new ATOM 545 N ILE A 39 -4.675 -2.071 -3.410 1.00 0.00 N ATOM 546 CA ILE A 39 -3.459 -2.774 -3.019 1.00 0.00 C ATOM 547 C ILE A 39 -3.722 -3.719 -1.851 1.00 0.00 C ATOM 548 O ILE A 39 -4.076 -3.286 -0.754 1.00 0.00 O ATOM 549 CB ILE A 39 -2.341 -1.790 -2.628 1.00 0.00 C ATOM 550 CG1 ILE A 39 -1.984 -0.892 -3.813 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.115 -2.548 -2.142 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.379 0.434 -3.407 1.00 0.00 C ATOM 0 H ILE A 39 -5.226 -1.714 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.136 -3.352 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.700 -1.159 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.282 -1.419 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.883 -0.707 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.333 -1.839 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.380 -3.149 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.752 -3.200 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.151 1.018 -4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.087 0.982 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.462 0.259 -2.844 1.00 0.00 H new ATOM 564 N THR A 40 -3.543 -5.014 -2.093 1.00 0.00 N ATOM 565 CA THR A 40 -3.760 -6.021 -1.062 1.00 0.00 C ATOM 566 C THR A 40 -2.562 -6.113 -0.124 1.00 0.00 C ATOM 567 O THR A 40 -1.538 -6.707 -0.464 1.00 0.00 O ATOM 568 CB THR A 40 -4.023 -7.408 -1.678 1.00 0.00 C ATOM 569 OG1 THR A 40 -5.093 -7.328 -2.626 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.370 -8.422 -0.599 1.00 0.00 C ATOM 0 H THR A 40 -3.248 -5.390 -2.994 1.00 0.00 H new ATOM 0 HA THR A 40 -4.639 -5.711 -0.496 1.00 0.00 H new ATOM 0 HB THR A 40 -3.114 -7.735 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.253 -8.213 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.552 -9.394 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.542 -8.502 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.266 -8.098 -0.070 1.00 0.00 H new ATOM 578 N VAL A 41 -2.696 -5.523 1.060 1.00 0.00 N ATOM 579 CA VAL A 41 -1.625 -5.541 2.049 1.00 0.00 C ATOM 580 C VAL A 41 -1.630 -6.844 2.841 1.00 0.00 C ATOM 581 O VAL A 41 -2.681 -7.447 3.058 1.00 0.00 O ATOM 582 CB VAL A 41 -1.745 -4.357 3.027 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.595 -3.036 2.288 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.071 -4.414 3.771 1.00 0.00 C ATOM 0 H VAL A 41 -3.536 -5.027 1.357 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.686 -5.456 1.501 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.940 -4.429 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.683 -2.211 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.618 -2.998 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.376 -2.951 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.139 -3.570 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.892 -4.367 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.133 -5.346 4.333 1.00 0.00 H new ATOM 594 N PHE A 42 -0.448 -7.272 3.271 1.00 0.00 N ATOM 595 CA PHE A 42 -0.315 -8.504 4.040 1.00 0.00 C ATOM 596 C PHE A 42 0.433 -8.253 5.346 1.00 0.00 C ATOM 597 O PHE A 42 1.589 -7.831 5.341 1.00 0.00 O ATOM 598 CB PHE A 42 0.416 -9.567 3.217 1.00 0.00 C ATOM 599 CG PHE A 42 -0.134 -9.734 1.829 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.311 -10.433 1.615 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.526 -9.191 0.738 1.00 0.00 C ATOM 602 CE1 PHE A 42 -1.818 -10.588 0.339 1.00 0.00 C ATOM 603 CE2 PHE A 42 0.024 -9.343 -0.540 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.151 -10.041 -0.740 1.00 0.00 C ATOM 0 H PHE A 42 0.431 -6.784 3.100 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.316 -8.863 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.471 -9.302 3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.359 -10.522 3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.838 -10.861 2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.444 -8.642 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.735 -11.137 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.550 -8.917 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.547 -10.159 -1.738 1.00 0.00 H new ATOM 614 N GLY A 43 -0.236 -8.514 6.464 1.00 0.00 N ATOM 615 CA GLY A 43 0.379 -8.310 7.762 1.00 0.00 C ATOM 616 C GLY A 43 0.202 -6.893 8.272 1.00 0.00 C ATOM 617 O GLY A 43 -0.285 -6.024 7.549 1.00 0.00 O ATOM 0 H GLY A 43 -1.194 -8.863 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.054 -9.008 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.443 -8.539 7.697 1.00 0.00 H new ATOM 621 N GLU A 44 0.597 -6.661 9.519 1.00 0.00 N ATOM 622 CA GLU A 44 0.477 -5.339 10.124 1.00 0.00 C ATOM 623 C GLU A 44 1.629 -4.437 9.694 1.00 0.00 C ATOM 624 O GLU A 44 2.596 -4.895 9.085 1.00 0.00 O ATOM 625 CB GLU A 44 0.446 -5.454 11.650 1.00 0.00 C ATOM 626 CG GLU A 44 1.787 -5.822 12.260 1.00 0.00 C ATOM 627 CD GLU A 44 1.683 -6.166 13.733 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.742 -5.238 14.566 1.00 0.00 O ATOM 629 OE2 GLU A 44 1.544 -7.366 14.053 1.00 0.00 O ATOM 0 H GLU A 44 1.003 -7.370 10.130 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.457 -4.894 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.113 -4.505 12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.291 -6.205 11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.206 -6.672 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.480 -4.990 12.133 1.00 0.00 H new ATOM 636 N ILE A 45 1.519 -3.152 10.015 1.00 0.00 N ATOM 637 CA ILE A 45 2.551 -2.186 9.663 1.00 0.00 C ATOM 638 C ILE A 45 3.915 -2.621 10.189 1.00 0.00 C ATOM 639 O ILE A 45 4.013 -3.249 11.243 1.00 0.00 O ATOM 640 CB ILE A 45 2.224 -0.786 10.216 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.861 -0.317 9.702 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.312 0.205 9.828 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.349 0.926 10.397 1.00 0.00 C ATOM 0 H ILE A 45 0.725 -2.756 10.518 1.00 0.00 H new ATOM 0 HA ILE A 45 2.581 -2.141 8.574 1.00 0.00 H new ATOM 0 HB ILE A 45 2.182 -0.842 11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.933 -0.122 8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.136 -1.121 9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.066 1.189 10.226 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.267 -0.124 10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.383 0.260 8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.621 1.201 9.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.245 0.730 11.464 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.054 1.744 10.246 1.00 0.00 H new ATOM 655 N ASP A 46 4.964 -2.283 9.448 1.00 0.00 N ATOM 656 CA ASP A 46 6.323 -2.636 9.840 1.00 0.00 C ATOM 657 C ASP A 46 6.879 -1.628 10.841 1.00 0.00 C ATOM 658 O ASP A 46 6.220 -0.644 11.176 1.00 0.00 O ATOM 659 CB ASP A 46 7.230 -2.706 8.610 1.00 0.00 C ATOM 660 CG ASP A 46 6.930 -3.908 7.737 1.00 0.00 C ATOM 661 OD1 ASP A 46 5.735 -4.182 7.494 1.00 0.00 O ATOM 662 OD2 ASP A 46 7.889 -4.574 7.295 1.00 0.00 O ATOM 0 H ASP A 46 4.899 -1.765 8.572 1.00 0.00 H new ATOM 0 HA ASP A 46 6.294 -3.616 10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.112 -1.795 8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.271 -2.745 8.931 1.00 0.00 H new ATOM 667 N GLU A 47 8.095 -1.882 11.316 1.00 0.00 N ATOM 668 CA GLU A 47 8.738 -0.998 12.280 1.00 0.00 C ATOM 669 C GLU A 47 8.803 0.431 11.748 1.00 0.00 C ATOM 670 O GLU A 47 8.555 1.390 12.480 1.00 0.00 O ATOM 671 CB GLU A 47 10.147 -1.498 12.604 1.00 0.00 C ATOM 672 CG GLU A 47 10.177 -2.907 13.172 1.00 0.00 C ATOM 673 CD GLU A 47 11.551 -3.542 13.085 1.00 0.00 C ATOM 674 OE1 GLU A 47 12.402 -3.238 13.947 1.00 0.00 O ATOM 675 OE2 GLU A 47 11.775 -4.344 12.154 1.00 0.00 O ATOM 0 H GLU A 47 8.654 -2.692 11.049 1.00 0.00 H new ATOM 0 HA GLU A 47 8.141 -1.001 13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.752 -1.468 11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.610 -0.817 13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.858 -2.881 14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.460 -3.527 12.634 1.00 0.00 H new ATOM 682 N ASP A 48 9.139 0.566 10.470 1.00 0.00 N ATOM 683 CA ASP A 48 9.238 1.877 9.839 1.00 0.00 C ATOM 684 C ASP A 48 7.881 2.573 9.819 1.00 0.00 C ATOM 685 O ASP A 48 7.720 3.657 10.378 1.00 0.00 O ATOM 686 CB ASP A 48 9.776 1.741 8.414 1.00 0.00 C ATOM 687 CG ASP A 48 11.256 1.416 8.383 1.00 0.00 C ATOM 688 OD1 ASP A 48 11.953 1.725 9.372 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.718 0.851 7.370 1.00 0.00 O ATOM 0 H ASP A 48 9.348 -0.217 9.850 1.00 0.00 H new ATOM 0 HA ASP A 48 9.929 2.484 10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.224 0.958 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.599 2.670 7.872 1.00 0.00 H new ATOM 694 N GLY A 49 6.906 1.942 9.171 1.00 0.00 N ATOM 695 CA GLY A 49 5.576 2.516 9.089 1.00 0.00 C ATOM 696 C GLY A 49 4.971 2.383 7.706 1.00 0.00 C ATOM 697 O GLY A 49 4.371 3.326 7.189 1.00 0.00 O ATOM 0 H GLY A 49 7.014 1.043 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.927 2.026 9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.621 3.570 9.362 1.00 0.00 H new ATOM 701 N PHE A 50 5.130 1.210 7.103 1.00 0.00 N ATOM 702 CA PHE A 50 4.597 0.957 5.769 1.00 0.00 C ATOM 703 C PHE A 50 3.880 -0.389 5.716 1.00 0.00 C ATOM 704 O PHE A 50 3.884 -1.145 6.687 1.00 0.00 O ATOM 705 CB PHE A 50 5.721 0.991 4.732 1.00 0.00 C ATOM 706 CG PHE A 50 6.343 2.348 4.566 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.131 2.891 5.567 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.138 3.081 3.407 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.705 4.140 5.417 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.710 4.329 3.251 1.00 0.00 C ATOM 711 CZ PHE A 50 7.493 4.860 4.258 1.00 0.00 C ATOM 0 H PHE A 50 5.624 0.419 7.517 1.00 0.00 H new ATOM 0 HA PHE A 50 3.876 1.742 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.494 0.279 5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.328 0.660 3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.299 2.332 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.525 2.672 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.318 4.552 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.545 4.889 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.938 5.837 4.139 1.00 0.00 H new ATOM 721 N TYR A 51 3.266 -0.680 4.574 1.00 0.00 N ATOM 722 CA TYR A 51 2.543 -1.933 4.394 1.00 0.00 C ATOM 723 C TYR A 51 3.090 -2.712 3.202 1.00 0.00 C ATOM 724 O TYR A 51 3.525 -2.126 2.210 1.00 0.00 O ATOM 725 CB TYR A 51 1.050 -1.661 4.198 1.00 0.00 C ATOM 726 CG TYR A 51 0.263 -1.646 5.489 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.414 -2.657 6.429 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.633 -0.621 5.767 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.304 -2.648 7.610 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.354 -0.603 6.946 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.186 -1.619 7.864 1.00 0.00 C ATOM 732 OH TYR A 51 -1.903 -1.605 9.038 1.00 0.00 O ATOM 0 H TYR A 51 3.255 -0.065 3.760 1.00 0.00 H new ATOM 0 HA TYR A 51 2.681 -2.535 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.927 -0.701 3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.634 -2.422 3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.104 -3.464 6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.768 0.175 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.175 -3.443 8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.045 0.202 7.148 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.478 -0.811 9.061 1.00 0.00 H new ATOM 742 N TYR A 52 3.064 -4.036 3.306 1.00 0.00 N ATOM 743 CA TYR A 52 3.559 -4.896 2.238 1.00 0.00 C ATOM 744 C TYR A 52 2.404 -5.545 1.481 1.00 0.00 C ATOM 745 O TYR A 52 1.828 -6.533 1.933 1.00 0.00 O ATOM 746 CB TYR A 52 4.479 -5.976 2.809 1.00 0.00 C ATOM 747 CG TYR A 52 5.417 -6.576 1.786 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.010 -7.626 0.972 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.711 -6.093 1.634 1.00 0.00 C ATOM 750 CE1 TYR A 52 5.864 -8.177 0.037 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.571 -6.637 0.700 1.00 0.00 C ATOM 752 CZ TYR A 52 7.143 -7.679 -0.095 1.00 0.00 C ATOM 753 OH TYR A 52 7.997 -8.225 -1.027 1.00 0.00 O ATOM 0 H TYR A 52 2.705 -4.537 4.119 1.00 0.00 H new ATOM 0 HA TYR A 52 4.124 -4.277 1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.067 -5.548 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.869 -6.770 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.009 -8.018 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.050 -5.278 2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.532 -8.993 -0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.573 -6.248 0.593 1.00 0.00 H new ATOM 0 HH TYR A 52 8.859 -7.760 -0.993 1.00 0.00 H new ATOM 763 N GLY A 53 2.070 -4.979 0.325 1.00 0.00 N ATOM 764 CA GLY A 53 0.986 -5.514 -0.477 1.00 0.00 C ATOM 765 C GLY A 53 1.412 -5.815 -1.901 1.00 0.00 C ATOM 766 O GLY A 53 2.563 -5.587 -2.272 1.00 0.00 O ATOM 0 H GLY A 53 2.531 -4.159 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.611 -6.426 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.162 -4.801 -0.491 1.00 0.00 H new ATOM 770 N GLU A 54 0.482 -6.331 -2.699 1.00 0.00 N ATOM 771 CA GLU A 54 0.769 -6.666 -4.089 1.00 0.00 C ATOM 772 C GLU A 54 -0.036 -5.784 -5.038 1.00 0.00 C ATOM 773 O GLU A 54 -1.187 -5.444 -4.763 1.00 0.00 O ATOM 774 CB GLU A 54 0.457 -8.140 -4.356 1.00 0.00 C ATOM 775 CG GLU A 54 1.269 -8.737 -5.493 1.00 0.00 C ATOM 776 CD GLU A 54 0.671 -10.026 -6.023 1.00 0.00 C ATOM 777 OE1 GLU A 54 -0.572 -10.119 -6.092 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.447 -10.941 -6.369 1.00 0.00 O ATOM 0 H GLU A 54 -0.476 -6.526 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 54 1.830 -6.489 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.644 -8.713 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.604 -8.243 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.338 -8.012 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.285 -8.927 -5.148 1.00 0.00 H new ATOM 785 N LEU A 55 0.578 -5.415 -6.157 1.00 0.00 N ATOM 786 CA LEU A 55 -0.080 -4.572 -7.149 1.00 0.00 C ATOM 787 C LEU A 55 0.431 -4.881 -8.552 1.00 0.00 C ATOM 788 O LEU A 55 1.637 -4.961 -8.781 1.00 0.00 O ATOM 789 CB LEU A 55 0.151 -3.095 -6.824 1.00 0.00 C ATOM 790 CG LEU A 55 -0.342 -2.093 -7.870 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.862 -2.067 -7.909 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.210 -0.705 -7.580 1.00 0.00 C ATOM 0 H LEU A 55 1.531 -5.686 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.149 -4.783 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.339 -2.871 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.219 -2.939 -6.675 1.00 0.00 H new ATOM 0 HG LEU A 55 0.021 -2.409 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.195 -1.349 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.236 -3.058 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.246 -1.775 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.151 -0.005 -8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.123 -0.380 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.299 -0.734 -7.604 1.00 0.00 H new ATOM 804 N ASN A 56 -0.496 -5.053 -9.489 1.00 0.00 N ATOM 805 CA ASN A 56 -0.140 -5.352 -10.871 1.00 0.00 C ATOM 806 C ASN A 56 0.959 -6.409 -10.933 1.00 0.00 C ATOM 807 O ASN A 56 1.884 -6.312 -11.738 1.00 0.00 O ATOM 808 CB ASN A 56 0.319 -4.081 -11.588 1.00 0.00 C ATOM 809 CG ASN A 56 -0.780 -3.041 -11.682 1.00 0.00 C ATOM 810 OD1 ASN A 56 -1.918 -3.354 -12.036 1.00 0.00 O ATOM 811 ND2 ASN A 56 -0.446 -1.796 -11.364 1.00 0.00 N ATOM 0 H ASN A 56 -1.499 -4.990 -9.316 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.026 -5.744 -11.371 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.172 -3.657 -11.059 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.661 -4.336 -12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.144 -1.054 -11.408 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.509 -1.582 -11.076 1.00 0.00 H new ATOM 818 N GLY A 57 0.849 -7.420 -10.076 1.00 0.00 N ATOM 819 CA GLY A 57 1.839 -8.481 -10.050 1.00 0.00 C ATOM 820 C GLY A 57 3.188 -8.003 -9.550 1.00 0.00 C ATOM 821 O GLY A 57 4.227 -8.400 -10.076 1.00 0.00 O ATOM 0 H GLY A 57 0.092 -7.523 -9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.484 -9.290 -9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.952 -8.893 -11.053 1.00 0.00 H new ATOM 825 N GLN A 58 3.170 -7.149 -8.532 1.00 0.00 N ATOM 826 CA GLN A 58 4.402 -6.615 -7.963 1.00 0.00 C ATOM 827 C GLN A 58 4.286 -6.476 -6.448 1.00 0.00 C ATOM 828 O GLN A 58 3.377 -5.817 -5.942 1.00 0.00 O ATOM 829 CB GLN A 58 4.732 -5.259 -8.588 1.00 0.00 C ATOM 830 CG GLN A 58 5.370 -5.362 -9.963 1.00 0.00 C ATOM 831 CD GLN A 58 6.180 -4.132 -10.325 1.00 0.00 C ATOM 832 OE1 GLN A 58 6.025 -3.072 -9.718 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.052 -4.268 -11.318 1.00 0.00 N ATOM 0 H GLN A 58 2.317 -6.812 -8.085 1.00 0.00 H new ATOM 0 HA GLN A 58 5.208 -7.314 -8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.817 -4.671 -8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.405 -4.716 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.016 -6.240 -9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.591 -5.512 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.148 -5.165 -11.794 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.626 -3.475 -11.605 1.00 0.00 H new ATOM 842 N LYS A 59 5.213 -7.100 -5.729 1.00 0.00 N ATOM 843 CA LYS A 59 5.217 -7.045 -4.272 1.00 0.00 C ATOM 844 C LYS A 59 6.231 -6.024 -3.768 1.00 0.00 C ATOM 845 O LYS A 59 7.399 -6.053 -4.153 1.00 0.00 O ATOM 846 CB LYS A 59 5.534 -8.425 -3.690 1.00 0.00 C ATOM 847 CG LYS A 59 4.476 -9.471 -3.995 1.00 0.00 C ATOM 848 CD LYS A 59 4.965 -10.871 -3.662 1.00 0.00 C ATOM 849 CE LYS A 59 4.645 -11.246 -2.223 1.00 0.00 C ATOM 850 NZ LYS A 59 4.472 -12.716 -2.058 1.00 0.00 N ATOM 0 H LYS A 59 5.972 -7.650 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 59 4.225 -6.737 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.492 -8.764 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.646 -8.337 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.573 -9.254 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.206 -9.420 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.502 -11.590 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.041 -10.930 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.446 -10.899 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.735 -10.736 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.255 -12.931 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.691 -13.043 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.349 -13.202 -2.334 1.00 0.00 H new ATOM 864 N GLY A 60 5.777 -5.121 -2.904 1.00 0.00 N ATOM 865 CA GLY A 60 6.658 -4.104 -2.361 1.00 0.00 C ATOM 866 C GLY A 60 6.106 -3.473 -1.098 1.00 0.00 C ATOM 867 O GLY A 60 5.475 -4.147 -0.283 1.00 0.00 O ATOM 0 H GLY A 60 4.814 -5.076 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.631 -4.547 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.819 -3.329 -3.110 1.00 0.00 H new ATOM 871 N LEU A 61 6.345 -2.177 -0.933 1.00 0.00 N ATOM 872 CA LEU A 61 5.869 -1.454 0.241 1.00 0.00 C ATOM 873 C LEU A 61 4.870 -0.371 -0.154 1.00 0.00 C ATOM 874 O LEU A 61 4.890 0.126 -1.280 1.00 0.00 O ATOM 875 CB LEU A 61 7.046 -0.828 0.991 1.00 0.00 C ATOM 876 CG LEU A 61 8.013 -1.807 1.659 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.276 -1.088 2.107 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.343 -2.497 2.838 1.00 0.00 C ATOM 0 H LEU A 61 6.866 -1.605 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 61 5.366 -2.166 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.610 -0.211 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.650 -0.161 1.756 1.00 0.00 H new ATOM 0 HG LEU A 61 8.292 -2.567 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.952 -1.800 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.767 -0.641 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.016 -0.306 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.045 -3.190 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.034 -1.750 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.468 -3.046 2.489 1.00 0.00 H new ATOM 890 N VAL A 62 3.997 -0.009 0.780 1.00 0.00 N ATOM 891 CA VAL A 62 2.992 1.017 0.531 1.00 0.00 C ATOM 892 C VAL A 62 2.637 1.762 1.813 1.00 0.00 C ATOM 893 O VAL A 62 2.382 1.163 2.858 1.00 0.00 O ATOM 894 CB VAL A 62 1.709 0.413 -0.070 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.905 0.104 -1.546 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.301 -0.837 0.695 1.00 0.00 C ATOM 0 H VAL A 62 3.965 -0.411 1.717 1.00 0.00 H new ATOM 0 HA VAL A 62 3.425 1.716 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 62 0.906 1.145 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.988 -0.322 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.147 1.022 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.720 -0.610 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.393 -1.251 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.101 -1.576 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.117 -0.581 1.738 1.00 0.00 H new ATOM 906 N PRO A 63 2.619 3.101 1.734 1.00 0.00 N ATOM 907 CA PRO A 63 2.296 3.957 2.879 1.00 0.00 C ATOM 908 C PRO A 63 0.827 3.864 3.277 1.00 0.00 C ATOM 909 O PRO A 63 -0.060 4.208 2.496 1.00 0.00 O ATOM 910 CB PRO A 63 2.625 5.364 2.374 1.00 0.00 C ATOM 911 CG PRO A 63 2.490 5.276 0.893 1.00 0.00 C ATOM 912 CD PRO A 63 2.913 3.882 0.521 1.00 0.00 C ATOM 0 HA PRO A 63 2.851 3.669 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.942 6.104 2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.633 5.663 2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.463 5.468 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.116 6.019 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.358 3.510 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.971 3.839 0.262 1.00 0.00 H new ATOM 920 N SER A 64 0.577 3.397 4.496 1.00 0.00 N ATOM 921 CA SER A 64 -0.786 3.255 4.995 1.00 0.00 C ATOM 922 C SER A 64 -1.515 4.595 4.972 1.00 0.00 C ATOM 923 O SER A 64 -2.744 4.645 4.987 1.00 0.00 O ATOM 924 CB SER A 64 -0.774 2.693 6.418 1.00 0.00 C ATOM 925 OG SER A 64 -2.056 2.788 7.015 1.00 0.00 O ATOM 0 H SER A 64 1.300 3.111 5.156 1.00 0.00 H new ATOM 0 HA SER A 64 -1.316 2.561 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.455 1.651 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.047 3.237 7.021 1.00 0.00 H new ATOM 0 HG SER A 64 -2.022 2.421 7.923 1.00 0.00 H new ATOM 931 N ASN A 65 -0.747 5.679 4.935 1.00 0.00 N ATOM 932 CA ASN A 65 -1.319 7.020 4.911 1.00 0.00 C ATOM 933 C ASN A 65 -1.884 7.345 3.531 1.00 0.00 C ATOM 934 O ASN A 65 -2.409 8.436 3.305 1.00 0.00 O ATOM 935 CB ASN A 65 -0.261 8.056 5.297 1.00 0.00 C ATOM 936 CG ASN A 65 0.224 7.882 6.723 1.00 0.00 C ATOM 937 OD1 ASN A 65 1.396 7.591 6.961 1.00 0.00 O ATOM 938 ND2 ASN A 65 -0.679 8.060 7.681 1.00 0.00 N ATOM 0 H ASN A 65 0.273 5.655 4.921 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.133 7.054 5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.586 7.978 4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.675 9.057 5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.411 7.956 8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.640 8.301 7.438 1.00 0.00 H new ATOM 945 N PHE A 66 -1.774 6.391 2.613 1.00 0.00 N ATOM 946 CA PHE A 66 -2.274 6.575 1.256 1.00 0.00 C ATOM 947 C PHE A 66 -3.188 5.421 0.851 1.00 0.00 C ATOM 948 O PHE A 66 -3.359 5.136 -0.335 1.00 0.00 O ATOM 949 CB PHE A 66 -1.108 6.686 0.271 1.00 0.00 C ATOM 950 CG PHE A 66 -0.245 7.894 0.498 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.456 8.049 1.683 1.00 0.00 C ATOM 952 CD2 PHE A 66 -0.135 8.876 -0.474 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.251 9.159 1.895 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.659 9.988 -0.268 1.00 0.00 C ATOM 955 CZ PHE A 66 1.352 10.130 0.919 1.00 0.00 C ATOM 0 H PHE A 66 -1.343 5.483 2.784 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.852 7.499 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.492 5.790 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.502 6.717 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.380 7.293 2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.676 8.771 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.793 9.267 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.738 10.745 -1.034 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.972 10.999 1.083 1.00 0.00 H new ATOM 965 N LEU A 67 -3.772 4.762 1.845 1.00 0.00 N ATOM 966 CA LEU A 67 -4.669 3.638 1.595 1.00 0.00 C ATOM 967 C LEU A 67 -5.887 3.699 2.510 1.00 0.00 C ATOM 968 O LEU A 67 -5.924 4.484 3.458 1.00 0.00 O ATOM 969 CB LEU A 67 -3.929 2.315 1.798 1.00 0.00 C ATOM 970 CG LEU A 67 -2.493 2.261 1.275 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.809 0.980 1.725 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.474 2.374 -0.242 1.00 0.00 C ATOM 0 H LEU A 67 -3.641 4.986 2.832 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.011 3.701 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.915 2.090 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.501 1.524 1.313 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.943 3.106 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.788 0.959 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.790 0.941 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.358 0.120 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.444 2.334 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.040 1.549 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.924 3.320 -0.542 1.00 0.00 H new ATOM 984 N GLU A 68 -6.880 2.864 2.222 1.00 0.00 N ATOM 985 CA GLU A 68 -8.099 2.823 3.021 1.00 0.00 C ATOM 986 C GLU A 68 -8.760 1.450 2.935 1.00 0.00 C ATOM 987 O GLU A 68 -9.102 0.982 1.850 1.00 0.00 O ATOM 988 CB GLU A 68 -9.078 3.902 2.554 1.00 0.00 C ATOM 989 CG GLU A 68 -10.389 3.908 3.323 1.00 0.00 C ATOM 990 CD GLU A 68 -11.458 4.743 2.645 1.00 0.00 C ATOM 991 OE1 GLU A 68 -11.526 4.721 1.398 1.00 0.00 O ATOM 992 OE2 GLU A 68 -12.227 5.418 3.361 1.00 0.00 O ATOM 0 H GLU A 68 -6.864 2.207 1.442 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.828 3.013 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.604 4.878 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.289 3.756 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.747 2.884 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.215 4.293 4.328 1.00 0.00 H new ATOM 999 N GLU A 69 -8.935 0.811 4.087 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.553 -0.509 4.142 1.00 0.00 C ATOM 1001 C GLU A 69 -10.867 -0.527 3.366 1.00 0.00 C ATOM 1002 O GLU A 69 -11.857 0.072 3.785 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.801 -0.921 5.595 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.713 -2.128 5.738 1.00 0.00 C ATOM 1005 CD GLU A 69 -10.654 -2.742 7.123 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -11.113 -2.087 8.082 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -10.149 -3.877 7.248 1.00 0.00 O ATOM 0 H GLU A 69 -8.658 1.185 4.994 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.869 -1.222 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.845 -1.140 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.238 -0.080 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.739 -1.832 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.434 -2.879 4.999 1.00 0.00 H new ATOM 1014 N VAL A 70 -10.867 -1.219 2.230 1.00 0.00 N ATOM 1015 CA VAL A 70 -12.057 -1.316 1.394 1.00 0.00 C ATOM 1016 C VAL A 70 -13.128 -2.172 2.061 1.00 0.00 C ATOM 1017 O VAL A 70 -14.320 -1.877 1.968 1.00 0.00 O ATOM 1018 CB VAL A 70 -11.726 -1.911 0.013 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -13.002 -2.242 -0.746 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -10.856 -0.952 -0.785 1.00 0.00 C ATOM 0 H VAL A 70 -10.056 -1.720 1.868 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.435 -0.302 1.263 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.168 -2.836 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.748 -2.661 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.585 -2.968 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.589 -1.334 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.632 -1.388 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.386 -0.009 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.926 -0.770 -0.246 1.00 0.00 H new ATOM 1030 N SER A 71 -12.696 -3.234 2.734 1.00 0.00 N ATOM 1031 CA SER A 71 -13.618 -4.136 3.414 1.00 0.00 C ATOM 1032 C SER A 71 -13.988 -3.596 4.792 1.00 0.00 C ATOM 1033 O SER A 71 -13.184 -3.636 5.723 1.00 0.00 O ATOM 1034 CB SER A 71 -12.997 -5.527 3.548 1.00 0.00 C ATOM 1035 OG SER A 71 -12.903 -6.168 2.288 1.00 0.00 O ATOM 0 H SER A 71 -11.713 -3.491 2.823 1.00 0.00 H new ATOM 0 HA SER A 71 -14.526 -4.208 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.005 -5.444 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.599 -6.134 4.224 1.00 0.00 H new ATOM 0 HG SER A 71 -12.501 -7.055 2.401 1.00 0.00 H new ATOM 1041 N GLY A 72 -15.212 -3.091 4.914 1.00 0.00 N ATOM 1042 CA GLY A 72 -15.668 -2.550 6.181 1.00 0.00 C ATOM 1043 C GLY A 72 -16.849 -3.315 6.746 1.00 0.00 C ATOM 1044 O GLY A 72 -16.729 -4.470 7.156 1.00 0.00 O ATOM 0 H GLY A 72 -15.896 -3.047 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.848 -2.572 6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.946 -1.505 6.047 1.00 0.00 H new ATOM 1048 N PRO A 73 -18.021 -2.664 6.775 1.00 0.00 N ATOM 1049 CA PRO A 73 -19.251 -3.271 7.293 1.00 0.00 C ATOM 1050 C PRO A 73 -19.776 -4.380 6.388 1.00 0.00 C ATOM 1051 O PRO A 73 -20.380 -5.344 6.858 1.00 0.00 O ATOM 1052 CB PRO A 73 -20.236 -2.100 7.331 1.00 0.00 C ATOM 1053 CG PRO A 73 -19.735 -1.150 6.299 1.00 0.00 C ATOM 1054 CD PRO A 73 -18.237 -1.286 6.303 1.00 0.00 C ATOM 0 HA PRO A 73 -19.095 -3.746 8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -21.251 -2.429 7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.262 -1.636 8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.146 -1.388 5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.035 -0.128 6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.817 -1.131 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.769 -0.557 6.964 1.00 0.00 H new ATOM 1062 N SER A 74 -19.542 -4.236 5.087 1.00 0.00 N ATOM 1063 CA SER A 74 -19.996 -5.225 4.115 1.00 0.00 C ATOM 1064 C SER A 74 -19.931 -6.632 4.701 1.00 0.00 C ATOM 1065 O SER A 74 -18.859 -7.228 4.797 1.00 0.00 O ATOM 1066 CB SER A 74 -19.145 -5.149 2.846 1.00 0.00 C ATOM 1067 OG SER A 74 -19.577 -6.099 1.886 1.00 0.00 O ATOM 0 H SER A 74 -19.041 -3.445 4.682 1.00 0.00 H new ATOM 0 HA SER A 74 -21.033 -5.003 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.205 -4.146 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 74 -18.099 -5.328 3.094 1.00 0.00 H new ATOM 0 HG SER A 74 -19.019 -6.030 1.083 1.00 0.00 H new ATOM 1073 N SER A 75 -21.088 -7.157 5.092 1.00 0.00 N ATOM 1074 CA SER A 75 -21.165 -8.492 5.673 1.00 0.00 C ATOM 1075 C SER A 75 -21.150 -9.560 4.583 1.00 0.00 C ATOM 1076 O SER A 75 -22.099 -9.687 3.810 1.00 0.00 O ATOM 1077 CB SER A 75 -22.430 -8.631 6.521 1.00 0.00 C ATOM 1078 OG SER A 75 -22.288 -9.661 7.484 1.00 0.00 O ATOM 0 H SER A 75 -21.985 -6.678 5.017 1.00 0.00 H new ATOM 0 HA SER A 75 -20.292 -8.635 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 75 -22.641 -7.687 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 75 -23.282 -8.847 5.876 1.00 0.00 H new ATOM 0 HG SER A 75 -23.109 -9.729 8.014 1.00 0.00 H new ATOM 1084 N GLY A 76 -20.064 -10.325 4.527 1.00 0.00 N ATOM 1085 CA GLY A 76 -19.945 -11.372 3.529 1.00 0.00 C ATOM 1086 C GLY A 76 -18.726 -11.194 2.645 1.00 0.00 C ATOM 1087 O GLY A 76 -17.672 -11.773 2.907 1.00 0.00 O ATOM 0 H GLY A 76 -19.265 -10.238 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.891 -12.340 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.841 -11.382 2.909 1.00 0.00 H new TER 1091 GLY A 76