USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 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 7 THR OG1 : rot -100:sc= -2.04! USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0.013 USER MOD Single : A 1 LEU N :NH3+ -153:sc= -7.78! (180deg=-10.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.111) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -16.8! C(o=-17!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.38) USER MOD Single : A 33 THR OG1 : rot 2:sc= 0.239 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0954 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 166:sc= -6.4! USER MOD Single : A 58 THR OG1 : rot 177:sc= -5.3! USER MOD Single : A 59 SER OG : rot -79:sc= 0.0387 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 65:sc= 0.747 USER MOD Single : A 72 ASN : amide:sc= -1.37! C(o=-1.4!,f=-4.2!) USER MOD Single : A 73 TYR OH : rot 19:sc= -1.85 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0775) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -5.35! C(o=-8.1!,f=-5.4!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 19.612 2.784 1.221 1.00 0.00 N ATOM 2 CA LEU A 1 19.954 1.334 1.190 1.00 0.00 C ATOM 3 C LEU A 1 18.732 0.512 1.593 1.00 0.00 C ATOM 4 O LEU A 1 17.604 0.932 1.423 1.00 0.00 O ATOM 5 CB LEU A 1 21.112 1.057 2.156 1.00 0.00 C ATOM 6 CG LEU A 1 22.315 1.934 1.792 1.00 0.00 C ATOM 7 CD1 LEU A 1 22.503 1.960 0.272 1.00 0.00 C ATOM 8 CD2 LEU A 1 22.076 3.354 2.301 1.00 0.00 C ATOM 0 H1 LEU A 1 20.219 3.298 0.551 1.00 0.00 H new ATOM 0 H2 LEU A 1 18.615 2.911 0.953 1.00 0.00 H new ATOM 0 H3 LEU A 1 19.763 3.156 2.180 1.00 0.00 H new ATOM 0 HA LEU A 1 20.257 1.054 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.799 1.260 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.391 0.004 2.111 1.00 0.00 H new ATOM 0 HG LEU A 1 23.213 1.523 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 1 23.360 2.585 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 1 22.675 0.947 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 1 21.608 2.366 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 1 22.930 3.981 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 1 21.176 3.759 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.952 3.336 3.384 1.00 0.00 H new ATOM 22 N LYS A 2 18.964 -0.662 2.105 1.00 0.00 N ATOM 23 CA LYS A 2 17.844 -1.562 2.522 1.00 0.00 C ATOM 24 C LYS A 2 16.670 -0.738 3.073 1.00 0.00 C ATOM 25 O LYS A 2 16.865 0.142 3.888 1.00 0.00 O ATOM 26 CB LYS A 2 18.345 -2.517 3.610 1.00 0.00 C ATOM 27 CG LYS A 2 17.205 -3.440 4.045 1.00 0.00 C ATOM 28 CD LYS A 2 17.744 -4.506 5.001 1.00 0.00 C ATOM 29 CE LYS A 2 17.581 -4.028 6.445 1.00 0.00 C ATOM 30 NZ LYS A 2 17.033 -5.137 7.275 1.00 0.00 N ATOM 0 H LYS A 2 19.897 -1.047 2.257 1.00 0.00 H new ATOM 0 HA LYS A 2 17.502 -2.127 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.181 -3.107 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.714 -1.950 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.421 -2.861 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.754 -3.914 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.209 -5.444 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.795 -4.702 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.542 -3.702 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.913 -3.167 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.922 -4.813 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.108 -5.427 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.686 -5.946 7.249 1.00 0.00 H new ATOM 44 N PRO A 3 15.485 -1.038 2.594 1.00 0.00 N ATOM 45 CA PRO A 3 14.288 -0.224 2.868 1.00 0.00 C ATOM 46 C PRO A 3 13.734 -0.535 4.262 1.00 0.00 C ATOM 47 O PRO A 3 13.101 -1.550 4.474 1.00 0.00 O ATOM 48 CB PRO A 3 13.298 -0.667 1.788 1.00 0.00 C ATOM 49 CG PRO A 3 13.748 -2.075 1.335 1.00 0.00 C ATOM 50 CD PRO A 3 15.228 -2.213 1.736 1.00 0.00 C ATOM 0 HA PRO A 3 14.489 0.847 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.281 -0.692 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.300 0.030 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.144 -2.847 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.625 -2.193 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.410 -3.144 2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.878 -2.217 0.861 1.00 0.00 H new ATOM 58 N LYS A 4 13.960 0.331 5.212 1.00 0.00 N ATOM 59 CA LYS A 4 13.436 0.080 6.582 1.00 0.00 C ATOM 60 C LYS A 4 11.949 0.431 6.618 1.00 0.00 C ATOM 61 O LYS A 4 11.565 1.481 7.095 1.00 0.00 O ATOM 62 CB LYS A 4 14.186 0.951 7.592 1.00 0.00 C ATOM 63 CG LYS A 4 15.689 0.894 7.308 1.00 0.00 C ATOM 64 CD LYS A 4 16.416 1.886 8.218 1.00 0.00 C ATOM 65 CE LYS A 4 17.855 1.418 8.439 1.00 0.00 C ATOM 66 NZ LYS A 4 18.581 1.417 7.138 1.00 0.00 N ATOM 0 H LYS A 4 14.484 1.199 5.098 1.00 0.00 H new ATOM 0 HA LYS A 4 13.578 -0.970 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.834 1.981 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.984 0.605 8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 4 16.064 -0.115 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.882 1.134 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.411 2.879 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.898 1.966 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.358 2.076 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.861 0.418 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.603 1.333 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.260 0.613 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.388 2.305 6.632 1.00 0.00 H new ATOM 80 N ILE A 5 11.112 -0.439 6.117 1.00 0.00 N ATOM 81 CA ILE A 5 9.646 -0.167 6.120 1.00 0.00 C ATOM 82 C ILE A 5 9.110 -0.362 7.541 1.00 0.00 C ATOM 83 O ILE A 5 9.181 -1.440 8.098 1.00 0.00 O ATOM 84 CB ILE A 5 8.958 -1.125 5.138 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.599 -0.557 4.729 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.763 -2.497 5.789 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.495 -0.532 3.203 1.00 0.00 C ATOM 0 H ILE A 5 11.383 -1.331 5.704 1.00 0.00 H new ATOM 0 HA ILE A 5 9.443 0.857 5.806 1.00 0.00 H new ATOM 0 HB ILE A 5 9.587 -1.235 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.798 -1.165 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.478 0.450 5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.274 -3.168 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.733 -2.908 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.143 -2.392 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.526 -0.127 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.288 0.094 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.597 -1.545 2.815 1.00 0.00 H new ATOM 99 N LEU A 6 8.601 0.680 8.143 1.00 0.00 N ATOM 100 CA LEU A 6 8.095 0.557 9.539 1.00 0.00 C ATOM 101 C LEU A 6 6.564 0.542 9.570 1.00 0.00 C ATOM 102 O LEU A 6 5.974 0.124 10.547 1.00 0.00 O ATOM 103 CB LEU A 6 8.606 1.738 10.364 1.00 0.00 C ATOM 104 CG LEU A 6 9.927 1.357 11.034 1.00 0.00 C ATOM 105 CD1 LEU A 6 11.094 1.776 10.138 1.00 0.00 C ATOM 106 CD2 LEU A 6 10.039 2.072 12.382 1.00 0.00 C ATOM 0 H LEU A 6 8.514 1.608 7.729 1.00 0.00 H new ATOM 0 HA LEU A 6 8.457 -0.382 9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.748 2.608 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.869 2.014 11.118 1.00 0.00 H new ATOM 0 HG LEU A 6 9.957 0.279 11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 6 12.035 1.504 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.015 1.268 9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.064 2.854 9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.980 1.801 12.860 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.009 3.150 12.226 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.208 1.775 13.022 1.00 0.00 H new ATOM 118 N THR A 7 5.910 0.997 8.528 1.00 0.00 N ATOM 119 CA THR A 7 4.414 0.998 8.538 1.00 0.00 C ATOM 120 C THR A 7 3.903 -0.299 9.179 1.00 0.00 C ATOM 121 O THR A 7 4.391 -1.376 8.897 1.00 0.00 O ATOM 122 CB THR A 7 3.887 1.102 7.107 1.00 0.00 C ATOM 123 OG1 THR A 7 2.467 1.062 7.129 1.00 0.00 O ATOM 124 CG2 THR A 7 4.420 -0.065 6.279 1.00 0.00 C ATOM 0 H THR A 7 6.342 1.364 7.680 1.00 0.00 H new ATOM 0 HA THR A 7 4.060 1.853 9.115 1.00 0.00 H new ATOM 0 HB THR A 7 4.220 2.039 6.661 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.162 0.160 6.898 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.043 0.011 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.510 -0.035 6.267 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.088 -1.005 6.720 1.00 0.00 H new ATOM 132 N ALA A 8 2.939 -0.201 10.055 1.00 0.00 N ATOM 133 CA ALA A 8 2.411 -1.423 10.734 1.00 0.00 C ATOM 134 C ALA A 8 1.018 -1.759 10.210 1.00 0.00 C ATOM 135 O ALA A 8 0.550 -2.871 10.344 1.00 0.00 O ATOM 136 CB ALA A 8 2.321 -1.155 12.232 1.00 0.00 C ATOM 0 H ALA A 8 2.493 0.674 10.331 1.00 0.00 H new ATOM 0 HA ALA A 8 3.080 -2.260 10.534 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.937 -2.041 12.738 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.312 -0.917 12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.650 -0.315 12.412 1.00 0.00 H new ATOM 142 N SER A 9 0.366 -0.788 9.637 1.00 0.00 N ATOM 143 CA SER A 9 -1.019 -0.979 9.088 1.00 0.00 C ATOM 144 C SER A 9 -1.276 -2.446 8.731 1.00 0.00 C ATOM 145 O SER A 9 -0.406 -3.136 8.238 1.00 0.00 O ATOM 146 CB SER A 9 -1.171 -0.135 7.826 1.00 0.00 C ATOM 147 OG SER A 9 -0.771 1.201 8.102 1.00 0.00 O ATOM 0 H SER A 9 0.738 0.155 9.520 1.00 0.00 H new ATOM 0 HA SER A 9 -1.737 -0.675 9.850 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.563 -0.550 7.022 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.206 -0.154 7.485 1.00 0.00 H new ATOM 0 HG SER A 9 -0.866 1.745 7.292 1.00 0.00 H new ATOM 153 N ARG A 10 -2.466 -2.930 8.981 1.00 0.00 N ATOM 154 CA ARG A 10 -2.773 -4.354 8.656 1.00 0.00 C ATOM 155 C ARG A 10 -4.224 -4.501 8.173 1.00 0.00 C ATOM 156 O ARG A 10 -4.669 -5.588 7.859 1.00 0.00 O ATOM 157 CB ARG A 10 -2.571 -5.211 9.908 1.00 0.00 C ATOM 158 CG ARG A 10 -2.126 -6.617 9.499 1.00 0.00 C ATOM 159 CD ARG A 10 -2.853 -7.653 10.358 1.00 0.00 C ATOM 160 NE ARG A 10 -4.085 -8.108 9.654 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.519 -9.327 9.819 1.00 0.00 C ATOM 162 NH1 ARG A 10 -4.315 -9.945 10.950 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.158 -9.929 8.853 1.00 0.00 N ATOM 0 H ARG A 10 -3.235 -2.403 9.394 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.104 -4.683 7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.822 -4.756 10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.498 -5.263 10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.344 -6.786 8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.048 -6.719 9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.199 -8.502 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.112 -7.222 11.325 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.589 -7.466 9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.816 -9.475 11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.654 -10.898 11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.318 -9.446 7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.497 -10.882 8.982 1.00 0.00 H new ATOM 177 N LYS A 11 -4.966 -3.429 8.097 1.00 0.00 N ATOM 178 CA LYS A 11 -6.377 -3.536 7.629 1.00 0.00 C ATOM 179 C LYS A 11 -7.053 -2.176 7.772 1.00 0.00 C ATOM 180 O LYS A 11 -6.588 -1.317 8.494 1.00 0.00 O ATOM 181 CB LYS A 11 -7.133 -4.570 8.465 1.00 0.00 C ATOM 182 CG LYS A 11 -6.986 -4.235 9.951 1.00 0.00 C ATOM 183 CD LYS A 11 -8.350 -4.340 10.636 1.00 0.00 C ATOM 184 CE LYS A 11 -8.387 -5.595 11.510 1.00 0.00 C ATOM 185 NZ LYS A 11 -8.509 -5.200 12.942 1.00 0.00 N ATOM 0 H LYS A 11 -4.657 -2.487 8.338 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.387 -3.850 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.187 -4.578 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.743 -5.568 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.278 -4.918 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.584 -3.229 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.532 -3.454 11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.142 -4.381 9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.228 -6.226 11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.481 -6.183 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.534 -6.053 13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.693 -4.614 13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.385 -4.657 13.079 1.00 0.00 H new ATOM 199 N ILE A 12 -8.130 -1.957 7.070 1.00 0.00 N ATOM 200 CA ILE A 12 -8.800 -0.637 7.152 1.00 0.00 C ATOM 201 C ILE A 12 -10.284 -0.759 6.801 1.00 0.00 C ATOM 202 O ILE A 12 -10.643 -1.125 5.701 1.00 0.00 O ATOM 203 CB ILE A 12 -8.123 0.290 6.153 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.608 0.206 6.350 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.605 1.720 6.374 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.913 1.183 5.413 1.00 0.00 C ATOM 0 H ILE A 12 -8.571 -2.634 6.447 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.721 -0.248 8.167 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.374 -0.009 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.353 0.436 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.262 -0.809 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.119 2.383 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.685 1.765 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.356 2.036 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.834 1.120 5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.157 0.933 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.249 2.197 5.630 1.00 0.00 H new ATOM 218 N LYS A 13 -11.149 -0.430 7.721 1.00 0.00 N ATOM 219 CA LYS A 13 -12.607 -0.501 7.428 1.00 0.00 C ATOM 220 C LYS A 13 -13.016 0.790 6.718 1.00 0.00 C ATOM 221 O LYS A 13 -13.481 1.730 7.333 1.00 0.00 O ATOM 222 CB LYS A 13 -13.390 -0.641 8.735 1.00 0.00 C ATOM 223 CG LYS A 13 -12.618 -1.548 9.696 1.00 0.00 C ATOM 224 CD LYS A 13 -13.604 -2.396 10.502 1.00 0.00 C ATOM 225 CE LYS A 13 -12.849 -3.165 11.587 1.00 0.00 C ATOM 226 NZ LYS A 13 -12.877 -4.622 11.273 1.00 0.00 N ATOM 0 H LYS A 13 -10.909 -0.116 8.661 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.822 -1.363 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.543 0.339 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.377 -1.059 8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.939 -2.193 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.006 -0.946 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.363 -1.758 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.124 -3.092 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.819 -2.814 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.304 -2.983 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.364 -5.146 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.863 -4.951 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.424 -4.787 10.352 1.00 0.00 H new ATOM 240 N ILE A 14 -12.825 0.850 5.430 1.00 0.00 N ATOM 241 CA ILE A 14 -13.177 2.086 4.676 1.00 0.00 C ATOM 242 C ILE A 14 -14.656 2.042 4.264 1.00 0.00 C ATOM 243 O ILE A 14 -15.117 1.103 3.653 1.00 0.00 O ATOM 244 CB ILE A 14 -12.270 2.172 3.442 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.827 1.908 3.869 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.355 3.565 2.819 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.876 2.232 2.711 1.00 0.00 C ATOM 0 H ILE A 14 -12.439 0.094 4.865 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.028 2.968 5.299 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.592 1.432 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.578 2.517 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.711 0.866 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.707 3.613 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.383 3.768 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.036 4.310 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.848 2.042 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.119 1.604 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.984 3.281 2.434 1.00 0.00 H new ATOM 259 N LYS A 15 -15.411 3.049 4.606 1.00 0.00 N ATOM 260 CA LYS A 15 -16.857 3.049 4.238 1.00 0.00 C ATOM 261 C LYS A 15 -17.001 2.971 2.716 1.00 0.00 C ATOM 262 O LYS A 15 -16.140 3.410 1.980 1.00 0.00 O ATOM 263 CB LYS A 15 -17.516 4.333 4.747 1.00 0.00 C ATOM 264 CG LYS A 15 -18.920 4.018 5.266 1.00 0.00 C ATOM 265 CD LYS A 15 -18.859 3.735 6.768 1.00 0.00 C ATOM 266 CE LYS A 15 -19.993 4.479 7.475 1.00 0.00 C ATOM 267 NZ LYS A 15 -20.565 3.612 8.544 1.00 0.00 N ATOM 0 H LYS A 15 -15.092 3.869 5.122 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.344 2.186 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.914 4.773 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.570 5.069 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.588 4.857 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.329 3.156 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.944 2.664 6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.896 4.052 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.620 5.408 7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.768 4.749 6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.336 4.117 9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.935 2.737 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.823 3.376 9.233 1.00 0.00 H new ATOM 281 N ALA A 16 -18.083 2.417 2.238 1.00 0.00 N ATOM 282 CA ALA A 16 -18.277 2.316 0.762 1.00 0.00 C ATOM 283 C ALA A 16 -18.562 3.709 0.196 1.00 0.00 C ATOM 284 O ALA A 16 -19.164 4.539 0.844 1.00 0.00 O ATOM 285 CB ALA A 16 -19.456 1.391 0.459 1.00 0.00 C ATOM 0 H ALA A 16 -18.839 2.031 2.804 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.376 1.910 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.595 1.320 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.255 0.400 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.361 1.793 0.915 1.00 0.00 H new ATOM 291 N GLY A 17 -18.135 3.967 -1.009 1.00 0.00 N ATOM 292 CA GLY A 17 -18.372 5.306 -1.622 1.00 0.00 C ATOM 293 C GLY A 17 -17.653 6.375 -0.795 1.00 0.00 C ATOM 294 O GLY A 17 -18.121 7.488 -0.664 1.00 0.00 O ATOM 0 H GLY A 17 -17.630 3.306 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.007 5.318 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.441 5.517 -1.660 1.00 0.00 H new ATOM 298 N PHE A 18 -16.526 6.042 -0.221 1.00 0.00 N ATOM 299 CA PHE A 18 -15.791 7.044 0.614 1.00 0.00 C ATOM 300 C PHE A 18 -14.395 7.306 0.045 1.00 0.00 C ATOM 301 O PHE A 18 -14.000 6.750 -0.962 1.00 0.00 O ATOM 302 CB PHE A 18 -15.641 6.516 2.042 1.00 0.00 C ATOM 303 CG PHE A 18 -16.822 6.955 2.868 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.114 6.746 2.387 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.626 7.562 4.114 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.219 7.144 3.149 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.729 7.960 4.879 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.026 7.751 4.396 1.00 0.00 C ATOM 0 H PHE A 18 -16.083 5.126 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.363 7.972 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.574 5.428 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.717 6.889 2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.262 6.277 1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.625 7.723 4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.219 6.983 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.579 8.428 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 18 -19.878 8.058 4.985 1.00 0.00 H new ATOM 318 N THR A 19 -13.643 8.148 0.706 1.00 0.00 N ATOM 319 CA THR A 19 -12.264 8.461 0.241 1.00 0.00 C ATOM 320 C THR A 19 -11.268 8.060 1.333 1.00 0.00 C ATOM 321 O THR A 19 -11.491 8.295 2.504 1.00 0.00 O ATOM 322 CB THR A 19 -12.144 9.961 -0.035 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.410 10.683 1.159 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.150 10.365 -1.113 1.00 0.00 C ATOM 0 H THR A 19 -13.930 8.635 1.555 1.00 0.00 H new ATOM 0 HA THR A 19 -12.050 7.910 -0.675 1.00 0.00 H new ATOM 0 HB THR A 19 -11.135 10.188 -0.380 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.332 11.644 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.064 11.434 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.944 9.810 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.160 10.139 -0.771 1.00 0.00 H new ATOM 332 N HIS A 20 -10.179 7.445 0.963 1.00 0.00 N ATOM 333 CA HIS A 20 -9.182 7.017 1.989 1.00 0.00 C ATOM 334 C HIS A 20 -7.798 7.585 1.658 1.00 0.00 C ATOM 335 O HIS A 20 -7.520 7.967 0.539 1.00 0.00 O ATOM 336 CB HIS A 20 -9.106 5.491 1.995 1.00 0.00 C ATOM 337 CG HIS A 20 -8.932 4.988 3.393 1.00 0.00 C ATOM 338 ND1 HIS A 20 -9.974 4.975 4.302 1.00 0.00 N ATOM 339 CD2 HIS A 20 -7.853 4.449 4.046 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.509 4.439 5.441 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.217 4.108 5.341 1.00 0.00 N ATOM 0 H HIS A 20 -9.935 7.220 -0.002 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.492 7.388 2.966 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.014 5.073 1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.274 5.159 1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.871 4.311 3.618 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.105 4.293 6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.626 3.694 6.062 1.00 0.00 H new ATOM 349 N ASN A 21 -6.923 7.622 2.628 1.00 0.00 N ATOM 350 CA ASN A 21 -5.544 8.140 2.387 1.00 0.00 C ATOM 351 C ASN A 21 -4.548 7.194 3.061 1.00 0.00 C ATOM 352 O ASN A 21 -4.065 7.448 4.147 1.00 0.00 O ATOM 353 CB ASN A 21 -5.399 9.546 2.975 1.00 0.00 C ATOM 354 CG ASN A 21 -6.755 10.255 2.961 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.543 10.102 3.872 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.060 11.032 1.957 1.00 0.00 N ATOM 0 H ASN A 21 -7.106 7.314 3.583 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.350 8.191 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.020 9.486 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.673 10.119 2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.960 11.511 1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.398 11.160 1.192 1.00 0.00 H new ATOM 363 N LEU A 22 -4.256 6.093 2.427 1.00 0.00 N ATOM 364 CA LEU A 22 -3.314 5.101 3.015 1.00 0.00 C ATOM 365 C LEU A 22 -1.915 5.703 3.154 1.00 0.00 C ATOM 366 O LEU A 22 -1.409 6.337 2.250 1.00 0.00 O ATOM 367 CB LEU A 22 -3.255 3.898 2.086 1.00 0.00 C ATOM 368 CG LEU A 22 -2.211 2.900 2.575 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.675 1.494 2.211 1.00 0.00 C ATOM 370 CD2 LEU A 22 -0.870 3.181 1.893 1.00 0.00 C ATOM 0 H LEU A 22 -4.635 5.836 1.516 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.662 4.810 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.233 3.418 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.011 4.223 1.075 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.090 2.990 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.938 0.768 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.634 1.292 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.785 1.416 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.126 2.466 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.984 3.085 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.544 4.193 2.135 1.00 0.00 H new ATOM 382 N GLU A 23 -1.284 5.492 4.280 1.00 0.00 N ATOM 383 CA GLU A 23 0.086 6.038 4.486 1.00 0.00 C ATOM 384 C GLU A 23 1.042 4.900 4.862 1.00 0.00 C ATOM 385 O GLU A 23 0.660 3.934 5.491 1.00 0.00 O ATOM 386 CB GLU A 23 0.059 7.073 5.613 1.00 0.00 C ATOM 387 CG GLU A 23 0.548 8.421 5.080 1.00 0.00 C ATOM 388 CD GLU A 23 2.071 8.394 4.945 1.00 0.00 C ATOM 389 OE1 GLU A 23 2.547 7.907 3.933 1.00 0.00 O ATOM 390 OE2 GLU A 23 2.736 8.860 5.855 1.00 0.00 O ATOM 0 H GLU A 23 -1.661 4.963 5.066 1.00 0.00 H new ATOM 0 HA GLU A 23 0.429 6.510 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.953 7.171 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.692 6.745 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.090 8.629 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.246 9.222 5.755 1.00 0.00 H new ATOM 397 N VAL A 24 2.285 5.016 4.481 1.00 0.00 N ATOM 398 CA VAL A 24 3.283 3.956 4.808 1.00 0.00 C ATOM 399 C VAL A 24 4.681 4.574 4.737 1.00 0.00 C ATOM 400 O VAL A 24 4.875 5.599 4.115 1.00 0.00 O ATOM 401 CB VAL A 24 3.165 2.811 3.796 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.430 1.949 3.835 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.954 1.946 4.146 1.00 0.00 C ATOM 0 H VAL A 24 2.655 5.806 3.953 1.00 0.00 H new ATOM 0 HA VAL A 24 3.102 3.560 5.807 1.00 0.00 H new ATOM 0 HB VAL A 24 3.044 3.228 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.339 1.137 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.296 2.562 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.556 1.533 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.869 1.131 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.078 1.535 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.050 2.555 4.113 1.00 0.00 H new ATOM 413 N ASP A 25 5.658 3.979 5.371 1.00 0.00 N ATOM 414 CA ASP A 25 7.021 4.579 5.322 1.00 0.00 C ATOM 415 C ASP A 25 8.100 3.498 5.329 1.00 0.00 C ATOM 416 O ASP A 25 7.960 2.464 5.951 1.00 0.00 O ATOM 417 CB ASP A 25 7.214 5.496 6.531 1.00 0.00 C ATOM 418 CG ASP A 25 6.411 6.782 6.330 1.00 0.00 C ATOM 419 OD1 ASP A 25 5.196 6.717 6.412 1.00 0.00 O ATOM 420 OD2 ASP A 25 7.025 7.810 6.097 1.00 0.00 O ATOM 0 H ASP A 25 5.573 3.118 5.911 1.00 0.00 H new ATOM 0 HA ASP A 25 7.113 5.149 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.889 4.990 7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.271 5.731 6.658 1.00 0.00 H new ATOM 425 N PHE A 26 9.191 3.746 4.649 1.00 0.00 N ATOM 426 CA PHE A 26 10.299 2.750 4.623 1.00 0.00 C ATOM 427 C PHE A 26 11.593 3.434 4.178 1.00 0.00 C ATOM 428 O PHE A 26 11.639 4.105 3.168 1.00 0.00 O ATOM 429 CB PHE A 26 9.956 1.603 3.667 1.00 0.00 C ATOM 430 CG PHE A 26 9.790 2.130 2.264 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.903 2.240 1.422 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.522 2.497 1.800 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.747 2.718 0.116 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.366 2.976 0.495 1.00 0.00 C ATOM 435 CZ PHE A 26 9.479 3.086 -0.347 1.00 0.00 C ATOM 0 H PHE A 26 9.360 4.596 4.111 1.00 0.00 H new ATOM 0 HA PHE A 26 10.435 2.341 5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.745 0.851 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.038 1.112 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.882 1.956 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.664 2.410 2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.605 2.803 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.388 3.261 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.359 3.455 -1.355 1.00 0.00 H new ATOM 445 N ILE A 27 12.644 3.279 4.940 1.00 0.00 N ATOM 446 CA ILE A 27 13.935 3.937 4.574 1.00 0.00 C ATOM 447 C ILE A 27 14.658 3.127 3.495 1.00 0.00 C ATOM 448 O ILE A 27 15.543 2.344 3.776 1.00 0.00 O ATOM 449 CB ILE A 27 14.817 4.050 5.821 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.300 5.196 6.689 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.266 4.336 5.416 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.832 4.949 7.037 1.00 0.00 C ATOM 0 H ILE A 27 12.665 2.727 5.798 1.00 0.00 H new ATOM 0 HA ILE A 27 13.730 4.933 4.180 1.00 0.00 H new ATOM 0 HB ILE A 27 14.782 3.112 6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.893 5.272 7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.405 6.143 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.885 4.415 6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.635 3.525 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.310 5.273 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.462 5.766 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.245 4.894 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.741 4.010 7.583 1.00 0.00 H new ATOM 464 N GLY A 28 14.299 3.327 2.260 1.00 0.00 N ATOM 465 CA GLY A 28 14.970 2.583 1.155 1.00 0.00 C ATOM 466 C GLY A 28 15.712 3.574 0.255 1.00 0.00 C ATOM 467 O GLY A 28 15.266 4.684 0.043 1.00 0.00 O ATOM 0 H GLY A 28 13.568 3.975 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.668 1.853 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.233 2.028 0.574 1.00 0.00 H new ATOM 471 N ALA A 29 16.841 3.188 -0.275 1.00 0.00 N ATOM 472 CA ALA A 29 17.601 4.121 -1.155 1.00 0.00 C ATOM 473 C ALA A 29 18.822 3.402 -1.741 1.00 0.00 C ATOM 474 O ALA A 29 19.076 2.259 -1.418 1.00 0.00 O ATOM 475 CB ALA A 29 18.040 5.332 -0.338 1.00 0.00 C ATOM 0 H ALA A 29 17.268 2.272 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 29 16.967 4.453 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.597 6.019 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.162 5.839 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.676 5.005 0.485 1.00 0.00 H new ATOM 481 N PRO A 30 19.525 4.083 -2.617 1.00 0.00 N ATOM 482 CA PRO A 30 19.214 5.474 -3.009 1.00 0.00 C ATOM 483 C PRO A 30 17.923 5.536 -3.816 1.00 0.00 C ATOM 484 O PRO A 30 17.326 6.582 -3.977 1.00 0.00 O ATOM 485 CB PRO A 30 20.428 5.898 -3.843 1.00 0.00 C ATOM 486 CG PRO A 30 21.094 4.593 -4.331 1.00 0.00 C ATOM 487 CD PRO A 30 20.681 3.500 -3.328 1.00 0.00 C ATOM 0 HA PRO A 30 19.050 6.132 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.123 6.518 -4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.122 6.490 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.765 4.341 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.178 4.699 -4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.411 2.574 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.493 3.262 -2.641 1.00 0.00 H new ATOM 495 N ASP A 31 17.485 4.425 -4.319 1.00 0.00 N ATOM 496 CA ASP A 31 16.232 4.415 -5.108 1.00 0.00 C ATOM 497 C ASP A 31 15.557 3.040 -4.991 1.00 0.00 C ATOM 498 O ASP A 31 15.836 2.139 -5.756 1.00 0.00 O ATOM 499 CB ASP A 31 16.572 4.723 -6.563 1.00 0.00 C ATOM 500 CG ASP A 31 17.363 3.565 -7.175 1.00 0.00 C ATOM 501 OD1 ASP A 31 18.512 3.396 -6.804 1.00 0.00 O ATOM 502 OD2 ASP A 31 16.805 2.866 -8.005 1.00 0.00 O ATOM 0 H ASP A 31 17.942 3.519 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 31 15.541 5.168 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.657 4.889 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.154 5.642 -6.622 1.00 0.00 H new ATOM 507 N PRO A 32 14.689 2.920 -4.019 1.00 0.00 N ATOM 508 CA PRO A 32 13.958 1.669 -3.758 1.00 0.00 C ATOM 509 C PRO A 32 12.757 1.546 -4.696 1.00 0.00 C ATOM 510 O PRO A 32 12.585 2.326 -5.612 1.00 0.00 O ATOM 511 CB PRO A 32 13.474 1.836 -2.317 1.00 0.00 C ATOM 512 CG PRO A 32 13.432 3.359 -2.049 1.00 0.00 C ATOM 513 CD PRO A 32 14.357 4.017 -3.089 1.00 0.00 C ATOM 0 HA PRO A 32 14.570 0.780 -3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.488 1.390 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.147 1.337 -1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.415 3.740 -2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.767 3.583 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.858 4.839 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.252 4.429 -2.623 1.00 0.00 H new ATOM 521 N THR A 33 11.914 0.582 -4.457 1.00 0.00 N ATOM 522 CA THR A 33 10.707 0.410 -5.311 1.00 0.00 C ATOM 523 C THR A 33 9.587 -0.192 -4.464 1.00 0.00 C ATOM 524 O THR A 33 9.664 -1.325 -4.036 1.00 0.00 O ATOM 525 CB THR A 33 11.019 -0.524 -6.479 1.00 0.00 C ATOM 526 OG1 THR A 33 11.925 0.114 -7.367 1.00 0.00 O ATOM 527 CG2 THR A 33 9.720 -0.852 -7.214 1.00 0.00 C ATOM 0 H THR A 33 12.010 -0.098 -3.703 1.00 0.00 H new ATOM 0 HA THR A 33 10.400 1.378 -5.707 1.00 0.00 H new ATOM 0 HB THR A 33 11.471 -1.443 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.168 0.994 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.933 -1.519 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.027 -1.340 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.272 0.068 -7.589 1.00 0.00 H new ATOM 535 N ALA A 34 8.552 0.558 -4.211 1.00 0.00 N ATOM 536 CA ALA A 34 7.434 0.027 -3.381 1.00 0.00 C ATOM 537 C ALA A 34 6.316 -0.486 -4.288 1.00 0.00 C ATOM 538 O ALA A 34 5.867 0.198 -5.187 1.00 0.00 O ATOM 539 CB ALA A 34 6.898 1.139 -2.477 1.00 0.00 C ATOM 0 H ALA A 34 8.431 1.515 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 34 7.799 -0.795 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.080 0.752 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.696 1.495 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.535 1.964 -3.091 1.00 0.00 H new ATOM 545 N THR A 35 5.866 -1.691 -4.063 1.00 0.00 N ATOM 546 CA THR A 35 4.781 -2.252 -4.914 1.00 0.00 C ATOM 547 C THR A 35 3.460 -2.248 -4.142 1.00 0.00 C ATOM 548 O THR A 35 3.331 -2.870 -3.105 1.00 0.00 O ATOM 549 CB THR A 35 5.135 -3.688 -5.308 1.00 0.00 C ATOM 550 OG1 THR A 35 6.263 -3.676 -6.173 1.00 0.00 O ATOM 551 CG2 THR A 35 3.947 -4.331 -6.024 1.00 0.00 C ATOM 0 H THR A 35 6.204 -2.310 -3.326 1.00 0.00 H new ATOM 0 HA THR A 35 4.675 -1.641 -5.810 1.00 0.00 H new ATOM 0 HB THR A 35 5.370 -4.263 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.492 -4.595 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.201 -5.353 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.083 -4.341 -5.359 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.709 -3.758 -6.920 1.00 0.00 H new ATOM 559 N TRP A 36 2.476 -1.553 -4.647 1.00 0.00 N ATOM 560 CA TRP A 36 1.153 -1.505 -3.962 1.00 0.00 C ATOM 561 C TRP A 36 0.216 -2.525 -4.618 1.00 0.00 C ATOM 562 O TRP A 36 -0.416 -2.244 -5.619 1.00 0.00 O ATOM 563 CB TRP A 36 0.557 -0.103 -4.111 1.00 0.00 C ATOM 564 CG TRP A 36 1.005 0.773 -2.981 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.745 1.899 -3.117 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.753 0.626 -1.552 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.955 2.450 -1.870 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.365 1.706 -0.875 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.061 -0.326 -0.786 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.291 1.837 0.510 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.014 -0.196 0.610 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.598 0.883 1.256 1.00 0.00 C ATOM 0 H TRP A 36 2.533 -1.013 -5.511 1.00 0.00 H new ATOM 0 HA TRP A 36 1.275 -1.739 -2.904 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.865 0.332 -5.062 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.531 -0.162 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.111 2.300 -4.050 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.484 3.306 -1.706 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.416 -1.163 -1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.767 2.672 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.548 -0.935 1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.534 0.978 2.330 1.00 0.00 H new ATOM 583 N THR A 37 0.123 -3.709 -4.074 1.00 0.00 N ATOM 584 CA THR A 37 -0.771 -4.737 -4.684 1.00 0.00 C ATOM 585 C THR A 37 -2.023 -4.913 -3.822 1.00 0.00 C ATOM 586 O THR A 37 -2.070 -4.494 -2.682 1.00 0.00 O ATOM 587 CB THR A 37 -0.028 -6.072 -4.779 1.00 0.00 C ATOM 588 OG1 THR A 37 1.117 -6.036 -3.940 1.00 0.00 O ATOM 589 CG2 THR A 37 0.403 -6.319 -6.226 1.00 0.00 C ATOM 0 H THR A 37 0.625 -4.008 -3.238 1.00 0.00 H new ATOM 0 HA THR A 37 -1.063 -4.410 -5.682 1.00 0.00 H new ATOM 0 HB THR A 37 -0.688 -6.878 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.593 -6.891 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.932 -7.270 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.477 -6.349 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.062 -5.514 -6.552 1.00 0.00 H new ATOM 597 N VAL A 38 -3.041 -5.530 -4.361 1.00 0.00 N ATOM 598 CA VAL A 38 -4.291 -5.725 -3.572 1.00 0.00 C ATOM 599 C VAL A 38 -4.505 -7.214 -3.295 1.00 0.00 C ATOM 600 O VAL A 38 -5.573 -7.751 -3.510 1.00 0.00 O ATOM 601 CB VAL A 38 -5.480 -5.177 -4.358 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.704 -6.036 -5.595 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.734 -5.226 -3.490 1.00 0.00 C ATOM 0 H VAL A 38 -3.061 -5.906 -5.309 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.203 -5.194 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.275 -4.147 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.552 -5.648 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.812 -6.013 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.909 -7.063 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.581 -4.834 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.936 -6.257 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.582 -4.621 -2.596 1.00 0.00 H new ATOM 613 N GLY A 39 -3.498 -7.880 -2.807 1.00 0.00 N ATOM 614 CA GLY A 39 -3.637 -9.332 -2.500 1.00 0.00 C ATOM 615 C GLY A 39 -3.962 -10.110 -3.774 1.00 0.00 C ATOM 616 O GLY A 39 -3.453 -9.822 -4.839 1.00 0.00 O ATOM 0 H GLY A 39 -2.581 -7.481 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.713 -9.709 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.425 -9.482 -1.762 1.00 0.00 H new ATOM 620 N ASP A 40 -4.802 -11.106 -3.668 1.00 0.00 N ATOM 621 CA ASP A 40 -5.161 -11.917 -4.864 1.00 0.00 C ATOM 622 C ASP A 40 -3.933 -12.689 -5.353 1.00 0.00 C ATOM 623 O ASP A 40 -3.961 -13.331 -6.384 1.00 0.00 O ATOM 624 CB ASP A 40 -5.654 -10.990 -5.970 1.00 0.00 C ATOM 625 CG ASP A 40 -6.778 -11.675 -6.749 1.00 0.00 C ATOM 626 OD1 ASP A 40 -6.471 -12.528 -7.566 1.00 0.00 O ATOM 627 OD2 ASP A 40 -7.926 -11.335 -6.516 1.00 0.00 O ATOM 0 H ASP A 40 -5.255 -11.392 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.947 -12.625 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.013 -10.054 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.833 -10.739 -6.641 1.00 0.00 H new ATOM 632 N SER A 41 -2.857 -12.635 -4.618 1.00 0.00 N ATOM 633 CA SER A 41 -1.630 -13.367 -5.034 1.00 0.00 C ATOM 634 C SER A 41 -1.094 -12.778 -6.339 1.00 0.00 C ATOM 635 O SER A 41 -0.655 -13.493 -7.219 1.00 0.00 O ATOM 636 CB SER A 41 -1.970 -14.841 -5.239 1.00 0.00 C ATOM 637 OG SER A 41 -0.788 -15.621 -5.105 1.00 0.00 O ATOM 0 H SER A 41 -2.775 -12.114 -3.745 1.00 0.00 H new ATOM 0 HA SER A 41 -0.869 -13.270 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.714 -15.159 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.408 -14.991 -6.226 1.00 0.00 H new ATOM 0 HG SER A 41 -1.004 -16.568 -5.235 1.00 0.00 H new ATOM 643 N GLY A 42 -1.119 -11.480 -6.473 1.00 0.00 N ATOM 644 CA GLY A 42 -0.603 -10.855 -7.722 1.00 0.00 C ATOM 645 C GLY A 42 -1.466 -9.651 -8.102 1.00 0.00 C ATOM 646 O GLY A 42 -1.022 -8.754 -8.791 1.00 0.00 O ATOM 0 H GLY A 42 -1.473 -10.828 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.431 -10.541 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.606 -11.585 -8.532 1.00 0.00 H new ATOM 650 N ALA A 43 -2.699 -9.620 -7.671 1.00 0.00 N ATOM 651 CA ALA A 43 -3.573 -8.471 -8.028 1.00 0.00 C ATOM 652 C ALA A 43 -2.823 -7.163 -7.784 1.00 0.00 C ATOM 653 O ALA A 43 -2.076 -7.024 -6.834 1.00 0.00 O ATOM 654 CB ALA A 43 -4.845 -8.490 -7.186 1.00 0.00 C ATOM 0 H ALA A 43 -3.134 -10.337 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.844 -8.550 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.475 -7.643 -7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.387 -9.418 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.583 -8.422 -6.130 1.00 0.00 H new ATOM 660 N ALA A 44 -3.019 -6.202 -8.640 1.00 0.00 N ATOM 661 CA ALA A 44 -2.314 -4.900 -8.473 1.00 0.00 C ATOM 662 C ALA A 44 -3.305 -3.820 -8.042 1.00 0.00 C ATOM 663 O ALA A 44 -4.465 -3.839 -8.404 1.00 0.00 O ATOM 664 CB ALA A 44 -1.668 -4.498 -9.800 1.00 0.00 C ATOM 0 H ALA A 44 -3.637 -6.260 -9.449 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.546 -5.005 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.152 -3.546 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.953 -5.263 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.439 -4.399 -10.565 1.00 0.00 H new ATOM 670 N LEU A 45 -2.848 -2.876 -7.269 1.00 0.00 N ATOM 671 CA LEU A 45 -3.744 -1.782 -6.802 1.00 0.00 C ATOM 672 C LEU A 45 -3.738 -0.641 -7.821 1.00 0.00 C ATOM 673 O LEU A 45 -2.862 -0.572 -8.657 1.00 0.00 O ATOM 674 CB LEU A 45 -3.224 -1.259 -5.466 1.00 0.00 C ATOM 675 CG LEU A 45 -4.350 -1.287 -4.443 1.00 0.00 C ATOM 676 CD1 LEU A 45 -3.951 -2.186 -3.278 1.00 0.00 C ATOM 677 CD2 LEU A 45 -4.603 0.131 -3.934 1.00 0.00 C ATOM 0 H LEU A 45 -1.885 -2.815 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.760 -2.162 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.390 -1.871 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.847 -0.243 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.258 -1.675 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.756 -2.208 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.766 -3.196 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.045 -1.798 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.409 0.116 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.696 0.518 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.884 0.773 -4.769 1.00 0.00 H new ATOM 689 N ALA A 46 -4.707 0.253 -7.727 1.00 0.00 N ATOM 690 CA ALA A 46 -4.800 1.439 -8.659 1.00 0.00 C ATOM 691 C ALA A 46 -6.129 1.453 -9.439 1.00 0.00 C ATOM 692 O ALA A 46 -6.752 2.493 -9.551 1.00 0.00 O ATOM 693 CB ALA A 46 -3.647 1.454 -9.669 1.00 0.00 C ATOM 0 H ALA A 46 -5.451 0.210 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.744 2.324 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.747 2.321 -10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.698 1.509 -9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.676 0.543 -10.267 1.00 0.00 H new ATOM 699 N PRO A 47 -6.524 0.320 -9.981 1.00 0.00 N ATOM 700 CA PRO A 47 -7.759 0.231 -10.790 1.00 0.00 C ATOM 701 C PRO A 47 -9.011 0.385 -9.924 1.00 0.00 C ATOM 702 O PRO A 47 -10.123 0.344 -10.411 1.00 0.00 O ATOM 703 CB PRO A 47 -7.669 -1.150 -11.445 1.00 0.00 C ATOM 704 CG PRO A 47 -6.694 -1.980 -10.583 1.00 0.00 C ATOM 705 CD PRO A 47 -5.816 -0.969 -9.819 1.00 0.00 C ATOM 0 HA PRO A 47 -7.840 1.029 -11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.650 -1.624 -11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.309 -1.070 -12.471 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.239 -2.622 -9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.082 -2.631 -11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.718 -1.241 -8.768 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.808 -0.925 -10.232 1.00 0.00 H new ATOM 713 N GLU A 48 -8.838 0.592 -8.653 1.00 0.00 N ATOM 714 CA GLU A 48 -10.009 0.786 -7.761 1.00 0.00 C ATOM 715 C GLU A 48 -9.718 1.980 -6.857 1.00 0.00 C ATOM 716 O GLU A 48 -10.278 2.113 -5.789 1.00 0.00 O ATOM 717 CB GLU A 48 -10.226 -0.467 -6.910 1.00 0.00 C ATOM 718 CG GLU A 48 -10.611 -1.639 -7.814 1.00 0.00 C ATOM 719 CD GLU A 48 -10.944 -2.858 -6.953 1.00 0.00 C ATOM 720 OE1 GLU A 48 -12.044 -2.905 -6.427 1.00 0.00 O ATOM 721 OE2 GLU A 48 -10.094 -3.725 -6.833 1.00 0.00 O ATOM 0 H GLU A 48 -7.930 0.635 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.909 0.965 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.318 -0.705 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.011 -0.288 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.469 -1.370 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.791 -1.873 -8.493 1.00 0.00 H new ATOM 728 N LEU A 49 -8.829 2.844 -7.281 1.00 0.00 N ATOM 729 CA LEU A 49 -8.477 4.026 -6.448 1.00 0.00 C ATOM 730 C LEU A 49 -7.177 4.640 -6.974 1.00 0.00 C ATOM 731 O LEU A 49 -6.741 4.339 -8.067 1.00 0.00 O ATOM 732 CB LEU A 49 -8.294 3.581 -5.000 1.00 0.00 C ATOM 733 CG LEU A 49 -7.471 2.295 -4.955 1.00 0.00 C ATOM 734 CD1 LEU A 49 -6.001 2.642 -4.721 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.979 1.414 -3.814 1.00 0.00 C ATOM 0 H LEU A 49 -8.333 2.778 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.272 4.770 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.794 4.364 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.266 3.418 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.569 1.760 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.412 1.726 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.643 3.275 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.899 3.173 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.395 0.494 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.876 1.947 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.028 1.171 -3.981 1.00 0.00 H new ATOM 747 N LEU A 50 -6.549 5.496 -6.212 1.00 0.00 N ATOM 748 CA LEU A 50 -5.275 6.115 -6.694 1.00 0.00 C ATOM 749 C LEU A 50 -4.119 5.633 -5.817 1.00 0.00 C ATOM 750 O LEU A 50 -4.326 5.059 -4.767 1.00 0.00 O ATOM 751 CB LEU A 50 -5.357 7.648 -6.636 1.00 0.00 C ATOM 752 CG LEU A 50 -6.795 8.098 -6.368 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.847 9.626 -6.304 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.703 7.606 -7.497 1.00 0.00 C ATOM 0 H LEU A 50 -6.857 5.792 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.110 5.817 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.700 8.024 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.006 8.073 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.135 7.681 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.871 9.948 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.200 9.979 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.507 10.042 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.727 7.926 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.363 8.023 -8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.666 6.518 -7.545 1.00 0.00 H new ATOM 766 N VAL A 51 -2.901 5.847 -6.238 1.00 0.00 N ATOM 767 CA VAL A 51 -1.751 5.377 -5.415 1.00 0.00 C ATOM 768 C VAL A 51 -0.563 6.336 -5.545 1.00 0.00 C ATOM 769 O VAL A 51 -0.308 6.895 -6.593 1.00 0.00 O ATOM 770 CB VAL A 51 -1.335 3.983 -5.890 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.150 3.488 -5.061 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.509 3.017 -5.722 1.00 0.00 C ATOM 0 H VAL A 51 -2.655 6.322 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.055 5.344 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.047 4.032 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.143 2.495 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.688 4.175 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.436 3.441 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.214 2.024 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.796 2.972 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.355 3.366 -6.315 1.00 0.00 H new ATOM 782 N ASP A 52 0.170 6.511 -4.477 1.00 0.00 N ATOM 783 CA ASP A 52 1.358 7.412 -4.505 1.00 0.00 C ATOM 784 C ASP A 52 2.494 6.733 -3.736 1.00 0.00 C ATOM 785 O ASP A 52 2.267 5.864 -2.917 1.00 0.00 O ATOM 786 CB ASP A 52 1.010 8.745 -3.838 1.00 0.00 C ATOM 787 CG ASP A 52 -0.133 9.416 -4.601 1.00 0.00 C ATOM 788 OD1 ASP A 52 0.137 10.011 -5.632 1.00 0.00 O ATOM 789 OD2 ASP A 52 -1.260 9.325 -4.142 1.00 0.00 O ATOM 0 H ASP A 52 -0.006 6.063 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 52 1.661 7.602 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.720 8.580 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.884 9.396 -3.825 1.00 0.00 H new ATOM 794 N ALA A 53 3.719 7.095 -3.983 1.00 0.00 N ATOM 795 CA ALA A 53 4.815 6.419 -3.242 1.00 0.00 C ATOM 796 C ALA A 53 6.106 7.243 -3.294 1.00 0.00 C ATOM 797 O ALA A 53 6.388 7.928 -4.257 1.00 0.00 O ATOM 798 CB ALA A 53 5.037 5.039 -3.856 1.00 0.00 C ATOM 0 H ALA A 53 4.005 7.812 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 53 4.534 6.319 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.839 4.529 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.120 4.454 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.310 5.147 -4.906 1.00 0.00 H new ATOM 804 N LYS A 54 6.887 7.177 -2.245 1.00 0.00 N ATOM 805 CA LYS A 54 8.164 7.951 -2.195 1.00 0.00 C ATOM 806 C LYS A 54 9.352 7.006 -1.954 1.00 0.00 C ATOM 807 O LYS A 54 9.205 5.908 -1.457 1.00 0.00 O ATOM 808 CB LYS A 54 8.092 8.971 -1.057 1.00 0.00 C ATOM 809 CG LYS A 54 8.139 10.386 -1.637 1.00 0.00 C ATOM 810 CD LYS A 54 8.094 11.406 -0.497 1.00 0.00 C ATOM 811 CE LYS A 54 9.491 11.559 0.106 1.00 0.00 C ATOM 812 NZ LYS A 54 9.378 11.730 1.582 1.00 0.00 N ATOM 0 H LYS A 54 6.693 6.616 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 54 8.305 8.463 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.174 8.831 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.923 8.821 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.048 10.520 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.298 10.542 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.740 12.367 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.389 11.081 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.096 10.682 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.996 12.419 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.328 11.834 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.815 12.579 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.912 10.896 1.993 1.00 0.00 H new ATOM 826 N SER A 55 10.531 7.431 -2.314 1.00 0.00 N ATOM 827 CA SER A 55 11.739 6.572 -2.133 1.00 0.00 C ATOM 828 C SER A 55 11.843 6.040 -0.695 1.00 0.00 C ATOM 829 O SER A 55 12.035 4.862 -0.479 1.00 0.00 O ATOM 830 CB SER A 55 12.988 7.393 -2.454 1.00 0.00 C ATOM 831 OG SER A 55 13.000 8.562 -1.645 1.00 0.00 O ATOM 0 H SER A 55 10.713 8.345 -2.730 1.00 0.00 H new ATOM 0 HA SER A 55 11.655 5.719 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.884 6.800 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.997 7.666 -3.509 1.00 0.00 H new ATOM 0 HG SER A 55 13.800 9.091 -1.846 1.00 0.00 H new ATOM 837 N SER A 56 11.751 6.890 0.290 1.00 0.00 N ATOM 838 CA SER A 56 11.884 6.402 1.697 1.00 0.00 C ATOM 839 C SER A 56 10.508 6.250 2.347 1.00 0.00 C ATOM 840 O SER A 56 10.379 6.272 3.557 1.00 0.00 O ATOM 841 CB SER A 56 12.716 7.402 2.500 1.00 0.00 C ATOM 842 OG SER A 56 14.092 7.219 2.196 1.00 0.00 O ATOM 0 H SER A 56 11.591 7.892 0.187 1.00 0.00 H new ATOM 0 HA SER A 56 12.375 5.429 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.411 8.421 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.546 7.260 3.567 1.00 0.00 H new ATOM 0 HG SER A 56 14.628 7.860 2.708 1.00 0.00 H new ATOM 848 N THR A 57 9.478 6.096 1.570 1.00 0.00 N ATOM 849 CA THR A 57 8.124 5.952 2.175 1.00 0.00 C ATOM 850 C THR A 57 7.110 5.748 1.058 1.00 0.00 C ATOM 851 O THR A 57 7.471 5.459 -0.057 1.00 0.00 O ATOM 852 CB THR A 57 7.793 7.238 2.942 1.00 0.00 C ATOM 853 OG1 THR A 57 6.658 7.037 3.769 1.00 0.00 O ATOM 854 CG2 THR A 57 7.504 8.356 1.945 1.00 0.00 C ATOM 0 H THR A 57 9.510 6.063 0.551 1.00 0.00 H new ATOM 0 HA THR A 57 8.096 5.100 2.855 1.00 0.00 H new ATOM 0 HB THR A 57 8.642 7.510 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.590 7.771 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.268 9.273 2.485 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.380 8.520 1.318 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.657 8.075 1.319 1.00 0.00 H new ATOM 862 N THR A 58 5.848 5.913 1.339 1.00 0.00 N ATOM 863 CA THR A 58 4.833 5.751 0.267 1.00 0.00 C ATOM 864 C THR A 58 3.431 5.888 0.857 1.00 0.00 C ATOM 865 O THR A 58 3.216 5.683 2.034 1.00 0.00 O ATOM 866 CB THR A 58 4.972 4.377 -0.399 1.00 0.00 C ATOM 867 OG1 THR A 58 4.184 4.347 -1.574 1.00 0.00 O ATOM 868 CG2 THR A 58 4.491 3.290 0.557 1.00 0.00 C ATOM 0 H THR A 58 5.479 6.152 2.259 1.00 0.00 H new ATOM 0 HA THR A 58 4.993 6.526 -0.482 1.00 0.00 H new ATOM 0 HB THR A 58 6.018 4.201 -0.650 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.308 3.488 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.591 2.315 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.092 3.313 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.445 3.464 0.809 1.00 0.00 H new ATOM 876 N SER A 59 2.474 6.223 0.039 1.00 0.00 N ATOM 877 CA SER A 59 1.078 6.367 0.532 1.00 0.00 C ATOM 878 C SER A 59 0.149 6.266 -0.662 1.00 0.00 C ATOM 879 O SER A 59 0.494 6.651 -1.758 1.00 0.00 O ATOM 880 CB SER A 59 0.901 7.720 1.222 1.00 0.00 C ATOM 881 OG SER A 59 2.170 8.201 1.645 1.00 0.00 O ATOM 0 H SER A 59 2.600 6.404 -0.957 1.00 0.00 H new ATOM 0 HA SER A 59 0.850 5.585 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.439 8.432 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.233 7.620 2.078 1.00 0.00 H new ATOM 0 HG SER A 59 2.431 7.749 2.474 1.00 0.00 H new ATOM 887 N ILE A 60 -1.014 5.725 -0.488 1.00 0.00 N ATOM 888 CA ILE A 60 -1.894 5.583 -1.665 1.00 0.00 C ATOM 889 C ILE A 60 -3.303 6.099 -1.369 1.00 0.00 C ATOM 890 O ILE A 60 -3.694 6.284 -0.233 1.00 0.00 O ATOM 891 CB ILE A 60 -1.852 4.116 -2.103 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.660 3.232 -1.154 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.388 3.656 -2.055 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.644 1.793 -1.672 1.00 0.00 C ATOM 0 H ILE A 60 -1.387 5.382 0.397 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.544 6.199 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.276 4.031 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.238 3.275 -0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.685 3.595 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.324 2.612 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.209 4.270 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.007 3.759 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.219 1.157 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.086 1.760 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.616 1.435 -1.719 1.00 0.00 H new ATOM 906 N PHE A 61 -4.021 6.428 -2.409 1.00 0.00 N ATOM 907 CA PHE A 61 -5.365 7.052 -2.246 1.00 0.00 C ATOM 908 C PHE A 61 -6.527 6.108 -2.549 1.00 0.00 C ATOM 909 O PHE A 61 -6.416 5.191 -3.333 1.00 0.00 O ATOM 910 CB PHE A 61 -5.427 8.211 -3.227 1.00 0.00 C ATOM 911 CG PHE A 61 -5.096 9.475 -2.505 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.868 9.593 -1.856 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.012 10.522 -2.482 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.549 10.765 -1.178 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.702 11.700 -1.807 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.467 11.827 -1.150 1.00 0.00 C ATOM 0 H PHE A 61 -3.729 6.289 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.474 7.352 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.725 8.050 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.421 8.278 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.164 8.774 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.962 10.421 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.598 10.858 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.410 12.515 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.224 12.739 -0.625 1.00 0.00 H new ATOM 926 N PHE A 62 -7.664 6.393 -1.945 1.00 0.00 N ATOM 927 CA PHE A 62 -8.904 5.596 -2.181 1.00 0.00 C ATOM 928 C PHE A 62 -10.105 6.550 -2.182 1.00 0.00 C ATOM 929 O PHE A 62 -11.083 6.281 -1.516 1.00 0.00 O ATOM 930 CB PHE A 62 -9.193 4.598 -1.051 1.00 0.00 C ATOM 931 CG PHE A 62 -8.000 3.763 -0.649 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.776 4.353 -0.310 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.147 2.372 -0.582 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.705 3.549 0.093 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.076 1.571 -0.183 1.00 0.00 C ATOM 936 CZ PHE A 62 -5.856 2.157 0.156 1.00 0.00 C ATOM 0 H PHE A 62 -7.779 7.163 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.756 5.064 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.551 5.146 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.999 3.934 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.659 5.426 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.092 1.918 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.760 4.001 0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.192 0.498 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.028 1.538 0.467 1.00 0.00 H new ATOM 946 N PRO A 63 -10.020 7.627 -2.915 1.00 0.00 N ATOM 947 CA PRO A 63 -11.125 8.599 -2.993 1.00 0.00 C ATOM 948 C PRO A 63 -12.342 7.937 -3.631 1.00 0.00 C ATOM 949 O PRO A 63 -13.447 8.440 -3.582 1.00 0.00 O ATOM 950 CB PRO A 63 -10.552 9.734 -3.846 1.00 0.00 C ATOM 951 CG PRO A 63 -9.374 9.114 -4.624 1.00 0.00 C ATOM 952 CD PRO A 63 -8.853 7.970 -3.739 1.00 0.00 C ATOM 0 HA PRO A 63 -11.467 8.968 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.305 10.132 -4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.217 10.563 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.698 8.742 -5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.594 9.853 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.517 7.121 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.007 8.286 -3.128 1.00 0.00 H new ATOM 960 N SER A 64 -12.140 6.789 -4.204 1.00 0.00 N ATOM 961 CA SER A 64 -13.266 6.046 -4.825 1.00 0.00 C ATOM 962 C SER A 64 -13.370 4.670 -4.160 1.00 0.00 C ATOM 963 O SER A 64 -13.521 3.665 -4.827 1.00 0.00 O ATOM 964 CB SER A 64 -13.001 5.867 -6.321 1.00 0.00 C ATOM 965 OG SER A 64 -14.218 6.037 -7.037 1.00 0.00 O ATOM 0 H SER A 64 -11.233 6.328 -4.270 1.00 0.00 H new ATOM 0 HA SER A 64 -14.195 6.600 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.262 6.592 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.588 4.877 -6.513 1.00 0.00 H new ATOM 0 HG SER A 64 -14.052 5.924 -7.996 1.00 0.00 H new ATOM 971 N ALA A 65 -13.285 4.605 -2.852 1.00 0.00 N ATOM 972 CA ALA A 65 -13.375 3.282 -2.180 1.00 0.00 C ATOM 973 C ALA A 65 -14.831 2.851 -2.098 1.00 0.00 C ATOM 974 O ALA A 65 -15.712 3.648 -1.833 1.00 0.00 O ATOM 975 CB ALA A 65 -12.798 3.361 -0.770 1.00 0.00 C ATOM 0 H ALA A 65 -13.159 5.405 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.804 2.557 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.871 2.384 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.752 3.662 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.358 4.093 -0.188 1.00 0.00 H new ATOM 981 N LYS A 66 -15.073 1.590 -2.319 1.00 0.00 N ATOM 982 CA LYS A 66 -16.461 1.050 -2.267 1.00 0.00 C ATOM 983 C LYS A 66 -16.402 -0.434 -1.902 1.00 0.00 C ATOM 984 O LYS A 66 -15.340 -1.007 -1.776 1.00 0.00 O ATOM 985 CB LYS A 66 -17.121 1.205 -3.640 1.00 0.00 C ATOM 986 CG LYS A 66 -18.116 2.367 -3.611 1.00 0.00 C ATOM 987 CD LYS A 66 -18.779 2.504 -4.984 1.00 0.00 C ATOM 988 CE LYS A 66 -20.295 2.368 -4.838 1.00 0.00 C ATOM 989 NZ LYS A 66 -20.964 3.506 -5.530 1.00 0.00 N ATOM 0 H LYS A 66 -14.356 0.898 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.041 1.595 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.361 1.384 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.634 0.283 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.872 2.193 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.603 3.292 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.531 3.470 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.399 1.739 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.629 1.422 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.570 2.357 -3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.995 3.414 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.654 4.402 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.711 3.496 -6.539 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.532 -1.060 -1.731 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.536 -2.507 -1.372 1.00 0.00 C ATOM 1005 C ARG A 67 -16.500 -3.256 -2.217 1.00 0.00 C ATOM 1006 O ARG A 67 -15.746 -4.067 -1.716 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.927 -3.090 -1.631 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.472 -2.558 -2.959 1.00 0.00 C ATOM 1009 CD ARG A 67 -19.606 -3.712 -3.955 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.922 -4.385 -3.763 1.00 0.00 N ATOM 1011 CZ ARG A 67 -20.968 -5.630 -3.374 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -20.794 -5.926 -2.115 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -21.187 -6.578 -4.243 1.00 0.00 N ATOM 0 H ARG A 67 -18.454 -0.633 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.283 -2.618 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.876 -4.178 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.601 -2.822 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -20.441 -2.084 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.804 -1.795 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.523 -3.337 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.796 -4.427 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.787 -3.872 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.622 -5.185 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.830 -6.899 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.322 -6.346 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.223 -7.551 -3.938 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.463 -2.998 -3.495 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.490 -3.699 -4.375 1.00 0.00 C ATOM 1029 C ALA A 68 -14.055 -3.428 -3.911 1.00 0.00 C ATOM 1030 O ALA A 68 -13.223 -4.313 -3.893 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.657 -3.202 -5.811 1.00 0.00 C ATOM 0 H ALA A 68 -17.069 -2.328 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.681 -4.771 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.945 -3.714 -6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.671 -3.409 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.474 -2.128 -5.848 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.752 -2.212 -3.547 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.365 -1.892 -3.100 1.00 0.00 C ATOM 1039 C ASP A 69 -11.968 -2.803 -1.938 1.00 0.00 C ATOM 1040 O ASP A 69 -10.802 -2.966 -1.640 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.296 -0.433 -2.645 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.481 0.488 -3.853 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -13.461 0.316 -4.559 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.640 1.349 -4.052 1.00 0.00 O ATOM 0 H ASP A 69 -14.403 -1.427 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.679 -2.049 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.069 -0.236 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.337 -0.235 -2.167 1.00 0.00 H new ATOM 1049 N SER A 70 -12.922 -3.396 -1.276 1.00 0.00 N ATOM 1050 CA SER A 70 -12.586 -4.291 -0.133 1.00 0.00 C ATOM 1051 C SER A 70 -11.642 -5.398 -0.609 1.00 0.00 C ATOM 1052 O SER A 70 -12.071 -6.457 -1.020 1.00 0.00 O ATOM 1053 CB SER A 70 -13.867 -4.918 0.419 1.00 0.00 C ATOM 1054 OG SER A 70 -14.327 -5.918 -0.481 1.00 0.00 O ATOM 0 H SER A 70 -13.918 -3.300 -1.476 1.00 0.00 H new ATOM 0 HA SER A 70 -12.099 -3.710 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.678 -5.354 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.632 -4.153 0.552 1.00 0.00 H new ATOM 0 HG SER A 70 -13.676 -6.649 -0.518 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.358 -5.161 -0.559 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.394 -6.201 -1.011 1.00 0.00 C ATOM 1062 C GLY A 71 -8.199 -6.265 -0.054 1.00 0.00 C ATOM 1063 O GLY A 71 -8.079 -5.485 0.883 1.00 0.00 O ATOM 0 H GLY A 71 -9.938 -4.294 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.888 -7.172 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.050 -5.974 -2.020 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.302 -7.184 -0.293 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.108 -7.302 0.583 1.00 0.00 C ATOM 1069 C ASN A 72 -5.027 -6.374 0.041 1.00 0.00 C ATOM 1070 O ASN A 72 -4.219 -6.754 -0.781 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.609 -8.750 0.583 1.00 0.00 C ATOM 1072 CG ASN A 72 -4.179 -8.805 1.127 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -3.711 -7.861 1.733 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -3.462 -9.878 0.937 1.00 0.00 N ATOM 0 H ASN A 72 -7.347 -7.857 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.358 -7.023 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.265 -9.370 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.639 -9.155 -0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.509 -9.925 1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.855 -10.670 0.429 1.00 0.00 H new ATOM 1081 N TYR A 73 -5.017 -5.154 0.489 1.00 0.00 N ATOM 1082 CA TYR A 73 -4.003 -4.190 -0.002 1.00 0.00 C ATOM 1083 C TYR A 73 -2.647 -4.525 0.608 1.00 0.00 C ATOM 1084 O TYR A 73 -2.309 -4.077 1.685 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.417 -2.770 0.393 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.561 -2.317 -0.483 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.717 -3.102 -0.599 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.466 -1.110 -1.180 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.773 -2.677 -1.412 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.522 -0.687 -1.993 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.676 -1.470 -2.110 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.717 -1.050 -2.912 1.00 0.00 O ATOM 0 H TYR A 73 -5.671 -4.782 1.178 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.932 -4.253 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.715 -2.745 1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.572 -2.090 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.792 -4.035 -0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.577 -0.504 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.663 -3.282 -1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.447 0.246 -2.532 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.537 -1.523 -2.658 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.861 -5.301 -0.081 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.517 -5.652 0.452 1.00 0.00 C ATOM 1104 C LYS A 74 0.514 -4.762 -0.226 1.00 0.00 C ATOM 1105 O LYS A 74 0.269 -4.212 -1.280 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.188 -7.121 0.165 1.00 0.00 C ATOM 1107 CG LYS A 74 -0.917 -7.587 -1.095 1.00 0.00 C ATOM 1108 CD LYS A 74 -0.391 -8.964 -1.509 1.00 0.00 C ATOM 1109 CE LYS A 74 1.107 -8.871 -1.806 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.855 -9.765 -0.877 1.00 0.00 N ATOM 0 H LYS A 74 -2.090 -5.707 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.505 -5.502 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.888 -7.243 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.481 -7.740 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.990 -7.636 -0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.765 -6.870 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.570 -9.688 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.926 -9.319 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.302 -9.158 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.448 -7.842 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.873 -9.702 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.678 -9.472 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.536 -10.746 -1.008 1.00 0.00 H new ATOM 1124 N LEU A 75 1.660 -4.605 0.362 1.00 0.00 N ATOM 1125 CA LEU A 75 2.688 -3.738 -0.268 1.00 0.00 C ATOM 1126 C LEU A 75 4.066 -4.358 -0.048 1.00 0.00 C ATOM 1127 O LEU A 75 4.333 -4.948 0.976 1.00 0.00 O ATOM 1128 CB LEU A 75 2.619 -2.348 0.368 1.00 0.00 C ATOM 1129 CG LEU A 75 3.879 -1.552 0.038 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.498 -0.287 -0.723 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.578 -1.167 1.340 1.00 0.00 C ATOM 0 H LEU A 75 1.930 -5.036 1.246 1.00 0.00 H new ATOM 0 HA LEU A 75 2.508 -3.649 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.739 -1.817 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.511 -2.440 1.449 1.00 0.00 H new ATOM 0 HG LEU A 75 4.546 -2.157 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.398 0.281 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.988 -0.558 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.835 0.322 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.480 -0.598 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.907 -0.559 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.847 -2.069 1.889 1.00 0.00 H new ATOM 1143 N LYS A 76 4.942 -4.237 -1.005 1.00 0.00 N ATOM 1144 CA LYS A 76 6.298 -4.827 -0.841 1.00 0.00 C ATOM 1145 C LYS A 76 7.335 -3.902 -1.475 1.00 0.00 C ATOM 1146 O LYS A 76 7.426 -3.792 -2.682 1.00 0.00 O ATOM 1147 CB LYS A 76 6.346 -6.195 -1.525 1.00 0.00 C ATOM 1148 CG LYS A 76 5.724 -6.092 -2.919 1.00 0.00 C ATOM 1149 CD LYS A 76 5.353 -7.491 -3.417 1.00 0.00 C ATOM 1150 CE LYS A 76 6.605 -8.369 -3.452 1.00 0.00 C ATOM 1151 NZ LYS A 76 7.467 -7.958 -4.596 1.00 0.00 N ATOM 0 H LYS A 76 4.779 -3.757 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 76 6.517 -4.945 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.377 -6.540 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.807 -6.931 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.837 -5.459 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.426 -5.623 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.603 -7.935 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.911 -7.429 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.155 -8.274 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.324 -9.417 -3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.228 -8.655 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.893 -7.907 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.882 -7.025 -4.400 1.00 0.00 H new ATOM 1165 N VAL A 77 8.120 -3.234 -0.675 1.00 0.00 N ATOM 1166 CA VAL A 77 9.146 -2.322 -1.244 1.00 0.00 C ATOM 1167 C VAL A 77 10.524 -2.973 -1.137 1.00 0.00 C ATOM 1168 O VAL A 77 10.935 -3.419 -0.085 1.00 0.00 O ATOM 1169 CB VAL A 77 9.123 -0.982 -0.498 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.678 -0.625 -0.162 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.929 -1.078 0.799 1.00 0.00 C ATOM 0 H VAL A 77 8.094 -3.281 0.344 1.00 0.00 H new ATOM 0 HA VAL A 77 8.926 -2.136 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 77 9.566 -0.215 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.652 0.327 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.100 -0.543 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.248 -1.404 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.902 -0.119 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.498 -1.847 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.962 -1.336 0.567 1.00 0.00 H new ATOM 1181 N LYS A 78 11.232 -3.038 -2.226 1.00 0.00 N ATOM 1182 CA LYS A 78 12.582 -3.670 -2.205 1.00 0.00 C ATOM 1183 C LYS A 78 13.626 -2.680 -2.726 1.00 0.00 C ATOM 1184 O LYS A 78 13.299 -1.619 -3.222 1.00 0.00 O ATOM 1185 CB LYS A 78 12.569 -4.915 -3.097 1.00 0.00 C ATOM 1186 CG LYS A 78 13.727 -5.836 -2.708 1.00 0.00 C ATOM 1187 CD LYS A 78 14.797 -5.800 -3.801 1.00 0.00 C ATOM 1188 CE LYS A 78 15.337 -7.212 -4.034 1.00 0.00 C ATOM 1189 NZ LYS A 78 15.681 -7.381 -5.474 1.00 0.00 N ATOM 0 H LYS A 78 10.935 -2.680 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 78 12.835 -3.952 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.621 -5.441 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.657 -4.626 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.154 -5.519 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.365 -6.855 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.375 -5.404 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.608 -5.133 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.219 -7.382 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.593 -7.951 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.048 -8.341 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.830 -7.236 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.405 -6.685 -5.742 1.00 0.00 H new ATOM 1203 N ASN A 79 14.882 -3.021 -2.615 1.00 0.00 N ATOM 1204 CA ASN A 79 15.952 -2.105 -3.101 1.00 0.00 C ATOM 1205 C ASN A 79 17.274 -2.879 -3.183 1.00 0.00 C ATOM 1206 O ASN A 79 17.597 -3.646 -2.304 1.00 0.00 O ATOM 1207 CB ASN A 79 16.064 -0.907 -2.132 1.00 0.00 C ATOM 1208 CG ASN A 79 17.373 -0.946 -1.326 1.00 0.00 C ATOM 1209 OD1 ASN A 79 17.627 -1.975 -0.565 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 18.167 -0.030 -1.393 1.00 0.00 N flip ATOM 0 H ASN A 79 15.213 -3.896 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 79 15.713 -1.725 -4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.012 0.024 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.215 -0.912 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 79 17.969 0.774 -1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 79 19.033 -0.065 -0.854 1.00 0.00 H new ATOM 1217 N GLU A 80 18.034 -2.672 -4.229 1.00 0.00 N ATOM 1218 CA GLU A 80 19.343 -3.383 -4.378 1.00 0.00 C ATOM 1219 C GLU A 80 19.262 -4.794 -3.783 1.00 0.00 C ATOM 1220 O GLU A 80 18.883 -5.737 -4.449 1.00 0.00 O ATOM 1221 CB GLU A 80 20.435 -2.591 -3.656 1.00 0.00 C ATOM 1222 CG GLU A 80 21.736 -3.396 -3.660 1.00 0.00 C ATOM 1223 CD GLU A 80 22.914 -2.466 -3.957 1.00 0.00 C ATOM 1224 OE1 GLU A 80 23.174 -1.594 -3.144 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.535 -2.641 -4.992 1.00 0.00 O ATOM 0 H GLU A 80 17.803 -2.036 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 80 19.579 -3.463 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.588 -1.630 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.129 -2.380 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.878 -3.882 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.685 -4.185 -4.410 1.00 0.00 H new ATOM 1232 N LEU A 81 19.621 -4.945 -2.534 1.00 0.00 N ATOM 1233 CA LEU A 81 19.568 -6.295 -1.901 1.00 0.00 C ATOM 1234 C LEU A 81 18.707 -6.246 -0.636 1.00 0.00 C ATOM 1235 O LEU A 81 18.357 -7.264 -0.073 1.00 0.00 O ATOM 1236 CB LEU A 81 20.985 -6.742 -1.538 1.00 0.00 C ATOM 1237 CG LEU A 81 21.284 -8.085 -2.207 1.00 0.00 C ATOM 1238 CD1 LEU A 81 20.362 -9.160 -1.629 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.047 -7.968 -3.714 1.00 0.00 C ATOM 0 H LEU A 81 19.948 -4.193 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 81 19.129 -7.003 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.708 -5.993 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.083 -6.833 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 81 22.323 -8.359 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 81 20.575 -10.117 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.530 -9.244 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.323 -8.886 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.260 -8.925 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.008 -7.694 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.704 -7.202 -4.127 1.00 0.00 H new ATOM 1251 N GLY A 82 18.356 -5.074 -0.187 1.00 0.00 N ATOM 1252 CA GLY A 82 17.511 -4.966 1.037 1.00 0.00 C ATOM 1253 C GLY A 82 16.044 -5.141 0.645 1.00 0.00 C ATOM 1254 O GLY A 82 15.653 -4.838 -0.465 1.00 0.00 O ATOM 0 H GLY A 82 18.617 -4.185 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.800 -5.726 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.661 -3.997 1.514 1.00 0.00 H new ATOM 1258 N GLU A 83 15.225 -5.631 1.536 1.00 0.00 N ATOM 1259 CA GLU A 83 13.790 -5.822 1.184 1.00 0.00 C ATOM 1260 C GLU A 83 12.905 -5.627 2.418 1.00 0.00 C ATOM 1261 O GLU A 83 13.270 -5.969 3.525 1.00 0.00 O ATOM 1262 CB GLU A 83 13.587 -7.236 0.633 1.00 0.00 C ATOM 1263 CG GLU A 83 13.938 -8.262 1.713 1.00 0.00 C ATOM 1264 CD GLU A 83 12.907 -9.392 1.698 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.846 -9.192 1.131 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.197 -10.439 2.255 1.00 0.00 O ATOM 0 H GLU A 83 15.485 -5.905 2.484 1.00 0.00 H new ATOM 0 HA GLU A 83 13.511 -5.085 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.553 -7.368 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.214 -7.389 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.936 -8.664 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.955 -7.784 2.692 1.00 0.00 H new ATOM 1273 N ASP A 84 11.735 -5.085 2.220 1.00 0.00 N ATOM 1274 CA ASP A 84 10.791 -4.863 3.351 1.00 0.00 C ATOM 1275 C ASP A 84 9.376 -4.766 2.776 1.00 0.00 C ATOM 1276 O ASP A 84 9.194 -4.369 1.644 1.00 0.00 O ATOM 1277 CB ASP A 84 11.148 -3.565 4.075 1.00 0.00 C ATOM 1278 CG ASP A 84 11.524 -3.877 5.525 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.801 -4.630 6.155 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.528 -3.356 5.981 1.00 0.00 O ATOM 0 H ASP A 84 11.389 -4.782 1.310 1.00 0.00 H new ATOM 0 HA ASP A 84 10.853 -5.686 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.979 -3.071 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.304 -2.876 4.047 1.00 0.00 H new ATOM 1285 N GLU A 85 8.374 -5.135 3.528 1.00 0.00 N ATOM 1286 CA GLU A 85 6.986 -5.071 2.984 1.00 0.00 C ATOM 1287 C GLU A 85 5.979 -4.844 4.114 1.00 0.00 C ATOM 1288 O GLU A 85 6.250 -5.104 5.269 1.00 0.00 O ATOM 1289 CB GLU A 85 6.649 -6.397 2.289 1.00 0.00 C ATOM 1290 CG GLU A 85 7.722 -6.738 1.251 1.00 0.00 C ATOM 1291 CD GLU A 85 8.914 -7.400 1.943 1.00 0.00 C ATOM 1292 OE1 GLU A 85 8.777 -7.759 3.101 1.00 0.00 O ATOM 1293 OE2 GLU A 85 9.945 -7.536 1.304 1.00 0.00 O ATOM 0 H GLU A 85 8.454 -5.475 4.486 1.00 0.00 H new ATOM 0 HA GLU A 85 6.929 -4.244 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.580 -7.196 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.675 -6.325 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.311 -7.406 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.044 -5.833 0.736 1.00 0.00 H new ATOM 1300 N ALA A 86 4.808 -4.376 3.775 1.00 0.00 N ATOM 1301 CA ALA A 86 3.758 -4.142 4.803 1.00 0.00 C ATOM 1302 C ALA A 86 2.468 -4.836 4.354 1.00 0.00 C ATOM 1303 O ALA A 86 2.351 -5.278 3.225 1.00 0.00 O ATOM 1304 CB ALA A 86 3.515 -2.640 4.951 1.00 0.00 C ATOM 0 H ALA A 86 4.533 -4.144 2.820 1.00 0.00 H new ATOM 0 HA ALA A 86 4.078 -4.545 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.746 -2.468 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.439 -2.150 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.186 -2.229 3.997 1.00 0.00 H new ATOM 1310 N ILE A 87 1.498 -4.939 5.222 1.00 0.00 N ATOM 1311 CA ILE A 87 0.225 -5.612 4.834 1.00 0.00 C ATOM 1312 C ILE A 87 -0.956 -4.702 5.165 1.00 0.00 C ATOM 1313 O ILE A 87 -1.000 -4.086 6.209 1.00 0.00 O ATOM 1314 CB ILE A 87 0.089 -6.925 5.607 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.318 -7.492 5.404 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.322 -6.668 7.097 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -1.516 -8.704 6.316 1.00 0.00 C ATOM 0 H ILE A 87 1.531 -4.588 6.179 1.00 0.00 H new ATOM 0 HA ILE A 87 0.234 -5.818 3.764 1.00 0.00 H new ATOM 0 HB ILE A 87 0.827 -7.639 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.064 -6.730 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.459 -7.780 4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.225 -7.604 7.647 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.323 -6.263 7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.416 -5.954 7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.518 -9.108 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.778 -9.468 6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.393 -8.401 7.356 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.910 -4.602 4.282 1.00 0.00 N ATOM 1330 CA PHE A 88 -3.077 -3.720 4.554 1.00 0.00 C ATOM 1331 C PHE A 88 -4.355 -4.376 4.034 1.00 0.00 C ATOM 1332 O PHE A 88 -4.709 -4.230 2.885 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.889 -2.375 3.843 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.461 -1.903 3.985 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.421 -2.619 3.381 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.178 -0.745 4.717 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.900 -2.179 3.509 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.145 -0.304 4.845 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.184 -1.022 4.241 1.00 0.00 C ATOM 0 H PHE A 88 -1.932 -5.091 3.387 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.154 -3.562 5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.143 -2.475 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.568 -1.634 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.639 -3.513 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.980 -0.191 5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.701 -2.733 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.364 0.590 5.410 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.204 -0.682 4.340 1.00 0.00 H new ATOM 1349 N GLU A 89 -5.072 -5.071 4.869 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.341 -5.693 4.395 1.00 0.00 C ATOM 1351 C GLU A 89 -7.392 -4.589 4.362 1.00 0.00 C ATOM 1352 O GLU A 89 -7.993 -4.269 5.364 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.776 -6.795 5.365 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.422 -7.940 4.582 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.431 -9.099 4.460 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -5.271 -8.898 4.781 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -6.849 -10.169 4.049 1.00 0.00 O ATOM 0 H GLU A 89 -4.840 -5.235 5.849 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.212 -6.140 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.915 -7.163 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.482 -6.395 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.328 -8.274 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.718 -7.595 3.591 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.598 -3.977 3.228 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.582 -2.862 3.173 1.00 0.00 C ATOM 1366 C VAL A 90 -9.969 -3.397 2.845 1.00 0.00 C ATOM 1367 O VAL A 90 -10.221 -3.885 1.766 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.144 -1.849 2.110 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.984 -0.576 2.238 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.668 -1.505 2.322 1.00 0.00 C ATOM 0 H VAL A 90 -7.133 -4.198 2.347 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.622 -2.372 4.146 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.285 -2.277 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.671 0.144 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.037 -0.819 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.843 -0.145 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.350 -0.784 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.534 -1.075 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.067 -2.410 2.234 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.878 -3.291 3.770 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.255 -3.774 3.507 1.00 0.00 C ATOM 1382 C ILE A 91 -13.150 -2.564 3.283 1.00 0.00 C ATOM 1383 O ILE A 91 -12.780 -1.444 3.581 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.774 -4.574 4.699 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.055 -5.924 4.764 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.274 -4.803 4.521 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.598 -6.192 6.199 1.00 0.00 C ATOM 0 H ILE A 91 -10.725 -2.891 4.696 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.256 -4.420 2.629 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.588 -4.026 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.721 -6.719 4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.197 -5.923 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.658 -5.374 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.785 -3.842 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.451 -5.357 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.086 -7.153 6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.917 -5.403 6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.465 -6.211 6.859 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.320 -2.767 2.754 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.208 -1.608 2.511 1.00 0.00 C ATOM 1401 C VAL A 92 -16.630 -1.917 2.970 1.00 0.00 C ATOM 1402 O VAL A 92 -17.183 -2.955 2.668 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.193 -1.280 1.024 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.842 0.085 0.793 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.740 -1.251 0.549 1.00 0.00 C ATOM 0 H VAL A 92 -14.695 -3.676 2.483 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.849 -0.751 3.080 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.751 -2.033 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.830 0.318 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.872 0.063 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.287 0.849 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.710 -1.017 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.191 -0.490 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.282 -2.225 0.720 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.222 -1.015 3.703 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.611 -1.244 4.191 1.00 0.00 C ATOM 1417 C GLN A 93 -19.470 -0.017 3.877 1.00 0.00 C ATOM 1418 O GLN A 93 -20.301 -0.112 2.989 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.588 -1.478 5.704 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.886 -2.162 6.137 1.00 0.00 C ATOM 1421 CD GLN A 93 -19.702 -3.680 6.098 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.707 -4.278 5.041 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -19.537 -4.333 7.216 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.282 0.996 4.530 1.00 0.00 O ATOM 0 H GLN A 93 -16.804 -0.129 3.985 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.032 -2.119 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.732 -2.096 5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -18.473 -0.529 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.159 -1.844 7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -20.702 -1.867 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -19.533 -3.831 8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -19.412 -5.345 7.202 1.00 0.00 H new TER 1433 GLN A 93