USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.654 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 170:sc= -0.341 USER MOD Single : A 10 CYS SG : rot -41:sc= -0.424 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.638 USER MOD Single : A 17 GLN : amide:sc= -2.65 K(o=-2.6,f=-4.3!) USER MOD Single : A 20 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD Single : A 25 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.45) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.19) USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= -0.473 (180deg=-1.65!) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc=0.000549 (180deg=-0.476) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.82) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.295 K(o=0.29,f=-1) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.38) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.869 -15.198 2.253 1.00 0.00 N ATOM 2 CA GLY A 1 -20.002 -16.264 2.721 1.00 0.00 C ATOM 3 C GLY A 1 -18.533 -15.935 2.548 1.00 0.00 C ATOM 4 O GLY A 1 -17.820 -16.616 1.810 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.862 -15.472 2.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.671 -14.329 2.788 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.696 -15.029 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.206 -16.458 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.232 -17.180 2.178 1.00 0.00 H new ATOM 8 N SER A 2 -18.078 -14.888 3.228 1.00 0.00 N ATOM 9 CA SER A 2 -16.685 -14.466 3.141 1.00 0.00 C ATOM 10 C SER A 2 -15.929 -14.822 4.418 1.00 0.00 C ATOM 11 O SER A 2 -16.217 -14.292 5.491 1.00 0.00 O ATOM 12 CB SER A 2 -16.600 -12.960 2.887 1.00 0.00 C ATOM 13 OG SER A 2 -17.221 -12.231 3.932 1.00 0.00 O ATOM 0 H SER A 2 -18.654 -14.316 3.846 1.00 0.00 H new ATOM 0 HA SER A 2 -16.223 -14.994 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.555 -12.661 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.079 -12.720 1.938 1.00 0.00 H new ATOM 0 HG SER A 2 -17.080 -12.695 4.783 1.00 0.00 H new ATOM 19 N SER A 3 -14.960 -15.723 4.293 1.00 0.00 N ATOM 20 CA SER A 3 -14.164 -16.153 5.437 1.00 0.00 C ATOM 21 C SER A 3 -12.694 -15.793 5.242 1.00 0.00 C ATOM 22 O SER A 3 -12.278 -15.404 4.152 1.00 0.00 O ATOM 23 CB SER A 3 -14.308 -17.662 5.647 1.00 0.00 C ATOM 24 OG SER A 3 -15.668 -18.026 5.814 1.00 0.00 O ATOM 0 H SER A 3 -14.707 -16.169 3.411 1.00 0.00 H new ATOM 0 HA SER A 3 -14.533 -15.633 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.888 -18.193 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.736 -17.967 6.524 1.00 0.00 H new ATOM 0 HG SER A 3 -15.734 -18.995 5.945 1.00 0.00 H new ATOM 30 N GLY A 4 -11.913 -15.927 6.310 1.00 0.00 N ATOM 31 CA GLY A 4 -10.498 -15.612 6.237 1.00 0.00 C ATOM 32 C GLY A 4 -10.236 -14.269 5.585 1.00 0.00 C ATOM 33 O GLY A 4 -9.484 -14.178 4.614 1.00 0.00 O ATOM 0 H GLY A 4 -12.235 -16.248 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.076 -15.613 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.984 -16.392 5.675 1.00 0.00 H new ATOM 37 N SER A 5 -10.857 -13.222 6.119 1.00 0.00 N ATOM 38 CA SER A 5 -10.692 -11.877 5.580 1.00 0.00 C ATOM 39 C SER A 5 -9.255 -11.395 5.756 1.00 0.00 C ATOM 40 O SER A 5 -8.800 -11.163 6.876 1.00 0.00 O ATOM 41 CB SER A 5 -11.656 -10.908 6.266 1.00 0.00 C ATOM 42 OG SER A 5 -12.965 -11.030 5.736 1.00 0.00 O ATOM 0 H SER A 5 -11.479 -13.279 6.925 1.00 0.00 H new ATOM 0 HA SER A 5 -10.918 -11.908 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.674 -11.106 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.302 -9.885 6.137 1.00 0.00 H new ATOM 0 HG SER A 5 -13.563 -10.401 6.192 1.00 0.00 H new ATOM 48 N SER A 6 -8.547 -11.245 4.642 1.00 0.00 N ATOM 49 CA SER A 6 -7.161 -10.793 4.672 1.00 0.00 C ATOM 50 C SER A 6 -7.041 -9.453 5.391 1.00 0.00 C ATOM 51 O SER A 6 -6.306 -9.323 6.368 1.00 0.00 O ATOM 52 CB SER A 6 -6.610 -10.673 3.250 1.00 0.00 C ATOM 53 OG SER A 6 -5.258 -10.249 3.260 1.00 0.00 O ATOM 0 H SER A 6 -8.910 -11.430 3.707 1.00 0.00 H new ATOM 0 HA SER A 6 -6.576 -11.532 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.689 -11.635 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.212 -9.964 2.682 1.00 0.00 H new ATOM 0 HG SER A 6 -4.882 -10.334 2.359 1.00 0.00 H new ATOM 59 N GLY A 7 -7.772 -8.457 4.898 1.00 0.00 N ATOM 60 CA GLY A 7 -7.735 -7.139 5.504 1.00 0.00 C ATOM 61 C GLY A 7 -8.145 -6.045 4.538 1.00 0.00 C ATOM 62 O GLY A 7 -8.426 -6.312 3.370 1.00 0.00 O ATOM 0 H GLY A 7 -8.389 -8.540 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.397 -7.122 6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.728 -6.938 5.869 1.00 0.00 H new ATOM 66 N ARG A 8 -8.182 -4.810 5.027 1.00 0.00 N ATOM 67 CA ARG A 8 -8.564 -3.672 4.200 1.00 0.00 C ATOM 68 C ARG A 8 -7.547 -3.444 3.085 1.00 0.00 C ATOM 69 O ARG A 8 -6.421 -3.940 3.146 1.00 0.00 O ATOM 70 CB ARG A 8 -8.689 -2.410 5.056 1.00 0.00 C ATOM 71 CG ARG A 8 -9.866 -2.441 6.018 1.00 0.00 C ATOM 72 CD ARG A 8 -11.183 -2.208 5.294 1.00 0.00 C ATOM 73 NE ARG A 8 -12.306 -2.834 5.986 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.572 -2.690 5.612 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.875 -1.946 4.556 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.539 -3.291 6.292 1.00 0.00 N ATOM 0 H ARG A 8 -7.952 -4.572 5.992 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.531 -3.893 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.769 -2.274 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.789 -1.545 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.895 -3.404 6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.731 -1.678 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.363 -1.137 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.115 -2.605 4.281 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.107 -3.414 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.135 -1.483 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.848 -1.837 4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.311 -3.865 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.511 -3.179 6.003 1.00 0.00 H new ATOM 90 N LEU A 9 -7.951 -2.691 2.068 1.00 0.00 N ATOM 91 CA LEU A 9 -7.075 -2.397 0.939 1.00 0.00 C ATOM 92 C LEU A 9 -6.851 -0.895 0.800 1.00 0.00 C ATOM 93 O LEU A 9 -7.528 -0.094 1.446 1.00 0.00 O ATOM 94 CB LEU A 9 -7.672 -2.957 -0.354 1.00 0.00 C ATOM 95 CG LEU A 9 -7.578 -4.472 -0.535 1.00 0.00 C ATOM 96 CD1 LEU A 9 -6.138 -4.890 -0.791 1.00 0.00 C ATOM 97 CD2 LEU A 9 -8.136 -5.191 0.684 1.00 0.00 C ATOM 0 H LEU A 9 -8.879 -2.273 2.002 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.112 -2.873 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.723 -2.670 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.174 -2.479 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.176 -4.753 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.090 -5.972 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.773 -4.402 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.518 -4.596 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.061 -6.268 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.566 -4.905 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.182 -4.916 0.822 1.00 0.00 H new ATOM 109 N CYS A 10 -5.898 -0.520 -0.047 1.00 0.00 N ATOM 110 CA CYS A 10 -5.586 0.887 -0.272 1.00 0.00 C ATOM 111 C CYS A 10 -4.737 1.062 -1.527 1.00 0.00 C ATOM 112 O CYS A 10 -4.121 0.112 -2.010 1.00 0.00 O ATOM 113 CB CYS A 10 -4.853 1.468 0.939 1.00 0.00 C ATOM 114 SG CYS A 10 -3.249 0.702 1.268 1.00 0.00 S ATOM 0 H CYS A 10 -5.329 -1.170 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.524 1.424 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.708 2.537 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.485 1.356 1.820 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.337 -0.583 1.089 1.00 0.00 H new ATOM 120 N LYS A 11 -4.712 2.282 -2.053 1.00 0.00 N ATOM 121 CA LYS A 11 -3.940 2.582 -3.252 1.00 0.00 C ATOM 122 C LYS A 11 -2.827 3.580 -2.948 1.00 0.00 C ATOM 123 O LYS A 11 -3.063 4.617 -2.329 1.00 0.00 O ATOM 124 CB LYS A 11 -4.854 3.141 -4.345 1.00 0.00 C ATOM 125 CG LYS A 11 -4.102 3.782 -5.498 1.00 0.00 C ATOM 126 CD LYS A 11 -4.919 3.757 -6.780 1.00 0.00 C ATOM 127 CE LYS A 11 -5.952 4.873 -6.804 1.00 0.00 C ATOM 128 NZ LYS A 11 -5.388 6.138 -7.352 1.00 0.00 N ATOM 0 H LYS A 11 -5.218 3.079 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.487 1.655 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.478 2.335 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.524 3.879 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.854 4.812 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.160 3.257 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.254 3.856 -7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.420 2.794 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.806 4.565 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.322 5.048 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.123 6.874 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.589 6.446 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.058 5.978 -8.325 1.00 0.00 H new ATOM 142 N ALA A 12 -1.614 3.259 -3.387 1.00 0.00 N ATOM 143 CA ALA A 12 -0.466 4.129 -3.164 1.00 0.00 C ATOM 144 C ALA A 12 -0.493 5.326 -4.109 1.00 0.00 C ATOM 145 O ALA A 12 -0.089 5.224 -5.269 1.00 0.00 O ATOM 146 CB ALA A 12 0.828 3.348 -3.335 1.00 0.00 C ATOM 0 H ALA A 12 -1.401 2.403 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.518 4.505 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.677 4.010 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.857 2.529 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.878 2.944 -4.346 1.00 0.00 H new ATOM 152 N LEU A 13 -0.970 6.459 -3.607 1.00 0.00 N ATOM 153 CA LEU A 13 -1.049 7.677 -4.407 1.00 0.00 C ATOM 154 C LEU A 13 0.335 8.108 -4.882 1.00 0.00 C ATOM 155 O LEU A 13 0.523 8.449 -6.050 1.00 0.00 O ATOM 156 CB LEU A 13 -1.696 8.802 -3.597 1.00 0.00 C ATOM 157 CG LEU A 13 -3.016 8.458 -2.907 1.00 0.00 C ATOM 158 CD1 LEU A 13 -3.493 9.624 -2.054 1.00 0.00 C ATOM 159 CD2 LEU A 13 -4.073 8.080 -3.935 1.00 0.00 C ATOM 0 H LEU A 13 -1.308 6.560 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.664 7.468 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.987 9.130 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.866 9.649 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.849 7.601 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.434 9.360 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.745 9.848 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.642 10.500 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.006 7.838 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.236 8.917 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.735 7.213 -4.503 1.00 0.00 H new ATOM 171 N TYR A 14 1.300 8.087 -3.970 1.00 0.00 N ATOM 172 CA TYR A 14 2.667 8.476 -4.295 1.00 0.00 C ATOM 173 C TYR A 14 3.648 7.360 -3.949 1.00 0.00 C ATOM 174 O TYR A 14 3.514 6.696 -2.921 1.00 0.00 O ATOM 175 CB TYR A 14 3.048 9.755 -3.547 1.00 0.00 C ATOM 176 CG TYR A 14 1.904 10.732 -3.396 1.00 0.00 C ATOM 177 CD1 TYR A 14 0.905 10.522 -2.454 1.00 0.00 C ATOM 178 CD2 TYR A 14 1.823 11.865 -4.196 1.00 0.00 C ATOM 179 CE1 TYR A 14 -0.143 11.412 -2.314 1.00 0.00 C ATOM 180 CE2 TYR A 14 0.780 12.761 -4.063 1.00 0.00 C ATOM 181 CZ TYR A 14 -0.201 12.530 -3.121 1.00 0.00 C ATOM 182 OH TYR A 14 -1.242 13.419 -2.983 1.00 0.00 O ATOM 0 H TYR A 14 1.161 7.805 -3.000 1.00 0.00 H new ATOM 0 HA TYR A 14 2.719 8.662 -5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.421 9.490 -2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.866 10.245 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.948 9.649 -1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.589 12.048 -4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.912 11.234 -1.577 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.733 13.637 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.134 14.152 -3.625 1.00 0.00 H new ATOM 192 N SER A 15 4.636 7.159 -4.816 1.00 0.00 N ATOM 193 CA SER A 15 5.639 6.121 -4.605 1.00 0.00 C ATOM 194 C SER A 15 6.505 6.442 -3.391 1.00 0.00 C ATOM 195 O SER A 15 7.083 7.525 -3.295 1.00 0.00 O ATOM 196 CB SER A 15 6.517 5.972 -5.848 1.00 0.00 C ATOM 197 OG SER A 15 5.734 5.692 -6.996 1.00 0.00 O ATOM 0 H SER A 15 4.763 7.701 -5.671 1.00 0.00 H new ATOM 0 HA SER A 15 5.121 5.180 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.086 6.888 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.240 5.171 -5.693 1.00 0.00 H new ATOM 0 HG SER A 15 6.319 5.603 -7.777 1.00 0.00 H new ATOM 203 N PHE A 16 6.591 5.493 -2.465 1.00 0.00 N ATOM 204 CA PHE A 16 7.386 5.673 -1.256 1.00 0.00 C ATOM 205 C PHE A 16 8.567 4.708 -1.233 1.00 0.00 C ATOM 206 O PHE A 16 8.410 3.513 -1.483 1.00 0.00 O ATOM 207 CB PHE A 16 6.517 5.463 -0.014 1.00 0.00 C ATOM 208 CG PHE A 16 7.245 5.718 1.275 1.00 0.00 C ATOM 209 CD1 PHE A 16 7.614 7.004 1.636 1.00 0.00 C ATOM 210 CD2 PHE A 16 7.560 4.671 2.126 1.00 0.00 C ATOM 211 CE1 PHE A 16 8.283 7.242 2.822 1.00 0.00 C ATOM 212 CE2 PHE A 16 8.229 4.903 3.314 1.00 0.00 C ATOM 213 CZ PHE A 16 8.591 6.189 3.661 1.00 0.00 C ATOM 0 H PHE A 16 6.120 4.591 -2.529 1.00 0.00 H new ATOM 0 HA PHE A 16 7.773 6.692 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.651 6.123 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.139 4.441 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.376 7.830 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.280 3.663 1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.564 8.249 3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.468 4.079 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.115 6.372 4.588 1.00 0.00 H new ATOM 223 N GLN A 17 9.749 5.236 -0.933 1.00 0.00 N ATOM 224 CA GLN A 17 10.958 4.422 -0.878 1.00 0.00 C ATOM 225 C GLN A 17 11.257 3.987 0.552 1.00 0.00 C ATOM 226 O GLN A 17 11.365 4.817 1.454 1.00 0.00 O ATOM 227 CB GLN A 17 12.147 5.198 -1.447 1.00 0.00 C ATOM 228 CG GLN A 17 13.476 4.479 -1.285 1.00 0.00 C ATOM 229 CD GLN A 17 14.172 4.827 0.017 1.00 0.00 C ATOM 230 OE1 GLN A 17 13.599 5.488 0.883 1.00 0.00 O ATOM 231 NE2 GLN A 17 15.415 4.383 0.160 1.00 0.00 N ATOM 0 H GLN A 17 9.896 6.224 -0.724 1.00 0.00 H new ATOM 0 HA GLN A 17 10.793 3.530 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.973 5.388 -2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.206 6.169 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.310 3.403 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.127 4.735 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.851 3.838 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.934 4.586 1.014 1.00 0.00 H new ATOM 240 N ALA A 18 11.390 2.679 0.752 1.00 0.00 N ATOM 241 CA ALA A 18 11.678 2.134 2.073 1.00 0.00 C ATOM 242 C ALA A 18 13.179 2.113 2.342 1.00 0.00 C ATOM 243 O ALA A 18 13.917 1.337 1.735 1.00 0.00 O ATOM 244 CB ALA A 18 11.097 0.735 2.205 1.00 0.00 C ATOM 0 H ALA A 18 11.303 1.978 0.016 1.00 0.00 H new ATOM 0 HA ALA A 18 11.211 2.781 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.320 0.341 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.017 0.775 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.537 0.085 1.449 1.00 0.00 H new ATOM 250 N ARG A 19 13.624 2.970 3.255 1.00 0.00 N ATOM 251 CA ARG A 19 15.038 3.050 3.603 1.00 0.00 C ATOM 252 C ARG A 19 15.593 1.670 3.945 1.00 0.00 C ATOM 253 O ARG A 19 16.642 1.271 3.441 1.00 0.00 O ATOM 254 CB ARG A 19 15.241 4.000 4.784 1.00 0.00 C ATOM 255 CG ARG A 19 14.766 5.419 4.514 1.00 0.00 C ATOM 256 CD ARG A 19 15.809 6.219 3.749 1.00 0.00 C ATOM 257 NE ARG A 19 16.865 6.720 4.626 1.00 0.00 N ATOM 258 CZ ARG A 19 17.758 7.630 4.254 1.00 0.00 C ATOM 259 NH1 ARG A 19 17.723 8.137 3.029 1.00 0.00 N ATOM 260 NH2 ARG A 19 18.689 8.035 5.108 1.00 0.00 N ATOM 0 H ARG A 19 13.026 3.619 3.767 1.00 0.00 H new ATOM 0 HA ARG A 19 15.578 3.436 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.710 3.607 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.300 4.023 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.837 5.391 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.545 5.916 5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.249 5.593 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.326 7.057 3.247 1.00 0.00 H new ATOM 0 HE ARG A 19 16.919 6.351 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.009 7.828 2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.410 8.836 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.719 7.647 6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.374 8.734 4.822 1.00 0.00 H new ATOM 274 N GLN A 20 14.881 0.948 4.805 1.00 0.00 N ATOM 275 CA GLN A 20 15.304 -0.386 5.214 1.00 0.00 C ATOM 276 C GLN A 20 14.124 -1.353 5.219 1.00 0.00 C ATOM 277 O GLN A 20 12.993 -0.969 4.921 1.00 0.00 O ATOM 278 CB GLN A 20 15.944 -0.337 6.603 1.00 0.00 C ATOM 279 CG GLN A 20 17.326 0.296 6.613 1.00 0.00 C ATOM 280 CD GLN A 20 18.429 -0.707 6.340 1.00 0.00 C ATOM 281 OE1 GLN A 20 18.203 -1.917 6.360 1.00 0.00 O ATOM 282 NE2 GLN A 20 19.633 -0.208 6.083 1.00 0.00 N ATOM 0 H GLN A 20 14.010 1.264 5.231 1.00 0.00 H new ATOM 0 HA GLN A 20 16.041 -0.743 4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 20 15.292 0.222 7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 20 16.015 -1.351 6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 20 17.365 1.086 5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 20 17.499 0.766 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.776 0.802 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.415 -0.835 5.892 1.00 0.00 H new ATOM 291 N ASP A 21 14.396 -2.608 5.560 1.00 0.00 N ATOM 292 CA ASP A 21 13.357 -3.630 5.605 1.00 0.00 C ATOM 293 C ASP A 21 12.163 -3.156 6.427 1.00 0.00 C ATOM 294 O ASP A 21 11.026 -3.172 5.955 1.00 0.00 O ATOM 295 CB ASP A 21 13.914 -4.928 6.192 1.00 0.00 C ATOM 296 CG ASP A 21 14.393 -4.758 7.620 1.00 0.00 C ATOM 297 OD1 ASP A 21 15.171 -3.815 7.876 1.00 0.00 O ATOM 298 OD2 ASP A 21 13.992 -5.568 8.482 1.00 0.00 O ATOM 0 H ASP A 21 15.327 -2.942 5.809 1.00 0.00 H new ATOM 0 HA ASP A 21 13.021 -3.817 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.143 -5.698 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.741 -5.278 5.574 1.00 0.00 H new ATOM 303 N ASP A 22 12.429 -2.736 7.659 1.00 0.00 N ATOM 304 CA ASP A 22 11.376 -2.257 8.547 1.00 0.00 C ATOM 305 C ASP A 22 10.319 -1.481 7.768 1.00 0.00 C ATOM 306 O ASP A 22 9.128 -1.571 8.062 1.00 0.00 O ATOM 307 CB ASP A 22 11.970 -1.373 9.646 1.00 0.00 C ATOM 308 CG ASP A 22 12.959 -0.361 9.103 1.00 0.00 C ATOM 309 OD1 ASP A 22 14.130 -0.735 8.885 1.00 0.00 O ATOM 310 OD2 ASP A 22 12.563 0.805 8.897 1.00 0.00 O ATOM 0 H ASP A 22 13.364 -2.718 8.065 1.00 0.00 H new ATOM 0 HA ASP A 22 10.899 -3.123 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.165 -0.849 10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.467 -2.002 10.385 1.00 0.00 H new ATOM 315 N GLU A 23 10.765 -0.718 6.775 1.00 0.00 N ATOM 316 CA GLU A 23 9.856 0.076 5.955 1.00 0.00 C ATOM 317 C GLU A 23 9.417 -0.704 4.719 1.00 0.00 C ATOM 318 O GLU A 23 10.104 -1.626 4.276 1.00 0.00 O ATOM 319 CB GLU A 23 10.525 1.386 5.535 1.00 0.00 C ATOM 320 CG GLU A 23 10.385 2.497 6.562 1.00 0.00 C ATOM 321 CD GLU A 23 10.836 3.843 6.029 1.00 0.00 C ATOM 322 OE1 GLU A 23 12.036 3.984 5.713 1.00 0.00 O ATOM 323 OE2 GLU A 23 9.990 4.756 5.929 1.00 0.00 O ATOM 0 H GLU A 23 11.749 -0.633 6.519 1.00 0.00 H new ATOM 0 HA GLU A 23 8.973 0.303 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.584 1.202 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.093 1.719 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.344 2.566 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.971 2.246 7.446 1.00 0.00 H new ATOM 330 N LEU A 24 8.269 -0.327 4.166 1.00 0.00 N ATOM 331 CA LEU A 24 7.738 -0.991 2.981 1.00 0.00 C ATOM 332 C LEU A 24 7.804 -0.070 1.766 1.00 0.00 C ATOM 333 O LEU A 24 7.469 1.111 1.851 1.00 0.00 O ATOM 334 CB LEU A 24 6.293 -1.430 3.223 1.00 0.00 C ATOM 335 CG LEU A 24 5.829 -2.666 2.451 1.00 0.00 C ATOM 336 CD1 LEU A 24 4.758 -3.413 3.232 1.00 0.00 C ATOM 337 CD2 LEU A 24 5.310 -2.271 1.076 1.00 0.00 C ATOM 0 H LEU A 24 7.689 0.434 4.519 1.00 0.00 H new ATOM 0 HA LEU A 24 8.350 -1.870 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.167 -1.623 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.635 -0.599 2.969 1.00 0.00 H new ATOM 0 HG LEU A 24 6.683 -3.330 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.440 -4.289 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.162 -3.728 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.903 -2.757 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.984 -3.163 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.469 -1.587 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.105 -1.780 0.514 1.00 0.00 H new ATOM 349 N ASN A 25 8.236 -0.620 0.636 1.00 0.00 N ATOM 350 CA ASN A 25 8.344 0.151 -0.597 1.00 0.00 C ATOM 351 C ASN A 25 7.001 0.218 -1.317 1.00 0.00 C ATOM 352 O ASN A 25 6.334 -0.801 -1.506 1.00 0.00 O ATOM 353 CB ASN A 25 9.399 -0.465 -1.518 1.00 0.00 C ATOM 354 CG ASN A 25 9.682 0.397 -2.733 1.00 0.00 C ATOM 355 OD1 ASN A 25 8.902 0.421 -3.685 1.00 0.00 O ATOM 356 ND2 ASN A 25 10.801 1.111 -2.704 1.00 0.00 N ATOM 0 H ASN A 25 8.517 -1.597 0.549 1.00 0.00 H new ATOM 0 HA ASN A 25 8.647 1.165 -0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.323 -0.614 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.062 -1.449 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.044 1.711 -3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.418 1.060 -1.893 1.00 0.00 H new ATOM 363 N LEU A 26 6.609 1.422 -1.717 1.00 0.00 N ATOM 364 CA LEU A 26 5.345 1.623 -2.417 1.00 0.00 C ATOM 365 C LEU A 26 5.575 2.261 -3.783 1.00 0.00 C ATOM 366 O LEU A 26 6.631 2.839 -4.039 1.00 0.00 O ATOM 367 CB LEU A 26 4.410 2.499 -1.582 1.00 0.00 C ATOM 368 CG LEU A 26 4.202 2.066 -0.131 1.00 0.00 C ATOM 369 CD1 LEU A 26 3.613 3.205 0.687 1.00 0.00 C ATOM 370 CD2 LEU A 26 3.304 0.839 -0.064 1.00 0.00 C ATOM 0 H LEU A 26 7.149 2.275 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 26 4.881 0.648 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.800 3.517 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.438 2.530 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 26 5.172 1.805 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.472 2.878 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.293 4.057 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.652 3.497 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.167 0.545 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.335 1.073 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.766 0.020 -0.615 1.00 0.00 H new ATOM 382 N GLU A 27 4.578 2.155 -4.656 1.00 0.00 N ATOM 383 CA GLU A 27 4.671 2.723 -5.995 1.00 0.00 C ATOM 384 C GLU A 27 3.327 3.292 -6.440 1.00 0.00 C ATOM 385 O GLU A 27 2.271 2.753 -6.108 1.00 0.00 O ATOM 386 CB GLU A 27 5.144 1.663 -6.992 1.00 0.00 C ATOM 387 CG GLU A 27 4.899 2.039 -8.443 1.00 0.00 C ATOM 388 CD GLU A 27 5.888 1.388 -9.390 1.00 0.00 C ATOM 389 OE1 GLU A 27 7.008 1.060 -8.945 1.00 0.00 O ATOM 390 OE2 GLU A 27 5.542 1.207 -10.576 1.00 0.00 O ATOM 0 H GLU A 27 3.697 1.681 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 27 5.398 3.535 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.210 1.489 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.635 0.723 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.887 1.747 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.960 3.122 -8.549 1.00 0.00 H new ATOM 397 N LYS A 28 3.374 4.385 -7.195 1.00 0.00 N ATOM 398 CA LYS A 28 2.162 5.028 -7.687 1.00 0.00 C ATOM 399 C LYS A 28 1.249 4.016 -8.372 1.00 0.00 C ATOM 400 O LYS A 28 1.559 3.518 -9.454 1.00 0.00 O ATOM 401 CB LYS A 28 2.517 6.153 -8.662 1.00 0.00 C ATOM 402 CG LYS A 28 1.317 6.967 -9.114 1.00 0.00 C ATOM 403 CD LYS A 28 1.737 8.312 -9.682 1.00 0.00 C ATOM 404 CE LYS A 28 2.069 9.304 -8.578 1.00 0.00 C ATOM 405 NZ LYS A 28 2.606 10.581 -9.123 1.00 0.00 N ATOM 0 H LYS A 28 4.239 4.844 -7.479 1.00 0.00 H new ATOM 0 HA LYS A 28 1.632 5.449 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.239 6.818 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.005 5.724 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.762 6.410 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.643 7.121 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.605 8.180 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.936 8.712 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.173 9.508 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.800 8.862 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.820 11.230 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.475 10.390 -9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.899 11.016 -9.749 1.00 0.00 H new ATOM 419 N GLY A 29 0.120 3.717 -7.736 1.00 0.00 N ATOM 420 CA GLY A 29 -0.820 2.767 -8.300 1.00 0.00 C ATOM 421 C GLY A 29 -0.555 1.347 -7.843 1.00 0.00 C ATOM 422 O GLY A 29 -0.661 0.405 -8.628 1.00 0.00 O ATOM 0 H GLY A 29 -0.160 4.116 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.833 3.053 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.767 2.811 -9.388 1.00 0.00 H new ATOM 426 N ASP A 30 -0.208 1.193 -6.570 1.00 0.00 N ATOM 427 CA ASP A 30 0.074 -0.124 -6.008 1.00 0.00 C ATOM 428 C ASP A 30 -0.894 -0.450 -4.875 1.00 0.00 C ATOM 429 O ASP A 30 -1.017 0.309 -3.913 1.00 0.00 O ATOM 430 CB ASP A 30 1.515 -0.186 -5.499 1.00 0.00 C ATOM 431 CG ASP A 30 2.509 -0.472 -6.608 1.00 0.00 C ATOM 432 OD1 ASP A 30 2.366 0.119 -7.699 1.00 0.00 O ATOM 433 OD2 ASP A 30 3.429 -1.287 -6.385 1.00 0.00 O ATOM 0 H ASP A 30 -0.115 1.963 -5.908 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.057 -0.865 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.770 0.760 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.595 -0.960 -4.735 1.00 0.00 H new ATOM 438 N ILE A 31 -1.578 -1.582 -4.996 1.00 0.00 N ATOM 439 CA ILE A 31 -2.534 -2.008 -3.982 1.00 0.00 C ATOM 440 C ILE A 31 -1.838 -2.752 -2.848 1.00 0.00 C ATOM 441 O ILE A 31 -1.183 -3.771 -3.069 1.00 0.00 O ATOM 442 CB ILE A 31 -3.625 -2.915 -4.582 1.00 0.00 C ATOM 443 CG1 ILE A 31 -4.299 -2.223 -5.768 1.00 0.00 C ATOM 444 CG2 ILE A 31 -4.652 -3.281 -3.521 1.00 0.00 C ATOM 445 CD1 ILE A 31 -4.866 -0.861 -5.431 1.00 0.00 C ATOM 0 H ILE A 31 -1.488 -2.221 -5.786 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.000 -1.104 -3.589 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.158 -3.833 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.575 -2.116 -6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.101 -2.859 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.416 -3.922 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.160 -3.810 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.117 -2.373 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.328 -0.430 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.614 -0.963 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.064 -0.208 -5.086 1.00 0.00 H new ATOM 457 N VAL A 32 -1.985 -2.237 -1.631 1.00 0.00 N ATOM 458 CA VAL A 32 -1.373 -2.854 -0.460 1.00 0.00 C ATOM 459 C VAL A 32 -2.430 -3.448 0.464 1.00 0.00 C ATOM 460 O VAL A 32 -3.468 -2.832 0.713 1.00 0.00 O ATOM 461 CB VAL A 32 -0.527 -1.839 0.331 1.00 0.00 C ATOM 462 CG1 VAL A 32 0.193 -2.526 1.482 1.00 0.00 C ATOM 463 CG2 VAL A 32 0.465 -1.142 -0.588 1.00 0.00 C ATOM 0 H VAL A 32 -2.523 -1.394 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.724 -3.651 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.193 -1.084 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.786 -1.793 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.539 -2.975 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.849 -3.303 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.055 -0.428 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.128 -1.882 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.076 -0.615 -1.375 1.00 0.00 H new ATOM 473 N ILE A 33 -2.160 -4.646 0.971 1.00 0.00 N ATOM 474 CA ILE A 33 -3.087 -5.322 1.870 1.00 0.00 C ATOM 475 C ILE A 33 -2.944 -4.805 3.297 1.00 0.00 C ATOM 476 O ILE A 33 -1.994 -5.151 4.001 1.00 0.00 O ATOM 477 CB ILE A 33 -2.868 -6.846 1.863 1.00 0.00 C ATOM 478 CG1 ILE A 33 -3.130 -7.415 0.467 1.00 0.00 C ATOM 479 CG2 ILE A 33 -3.767 -7.515 2.891 1.00 0.00 C ATOM 480 CD1 ILE A 33 -2.523 -8.783 0.248 1.00 0.00 C ATOM 0 H ILE A 33 -1.306 -5.169 0.774 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.092 -5.107 1.507 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.831 -7.050 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.206 -7.474 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.731 -6.726 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.601 -8.592 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.536 -7.128 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.810 -7.305 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.749 -9.124 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.442 -8.727 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.940 -9.486 0.969 1.00 0.00 H new ATOM 492 N ILE A 34 -3.894 -3.977 3.719 1.00 0.00 N ATOM 493 CA ILE A 34 -3.875 -3.416 5.064 1.00 0.00 C ATOM 494 C ILE A 34 -4.036 -4.506 6.118 1.00 0.00 C ATOM 495 O ILE A 34 -5.107 -5.097 6.257 1.00 0.00 O ATOM 496 CB ILE A 34 -4.988 -2.368 5.252 1.00 0.00 C ATOM 497 CG1 ILE A 34 -4.763 -1.179 4.316 1.00 0.00 C ATOM 498 CG2 ILE A 34 -5.042 -1.906 6.701 1.00 0.00 C ATOM 499 CD1 ILE A 34 -5.939 -0.229 4.252 1.00 0.00 C ATOM 0 H ILE A 34 -4.686 -3.680 3.149 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.906 -2.933 5.190 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.944 -2.827 5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.880 -0.630 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.552 -1.551 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.833 -1.166 6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.245 -2.760 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.086 -1.461 6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.709 0.589 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.819 -0.763 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.137 0.172 5.246 1.00 0.00 H new ATOM 511 N HIS A 35 -2.964 -4.768 6.859 1.00 0.00 N ATOM 512 CA HIS A 35 -2.986 -5.787 7.903 1.00 0.00 C ATOM 513 C HIS A 35 -3.368 -5.177 9.248 1.00 0.00 C ATOM 514 O HIS A 35 -4.274 -5.663 9.924 1.00 0.00 O ATOM 515 CB HIS A 35 -1.622 -6.469 8.008 1.00 0.00 C ATOM 516 CG HIS A 35 -1.466 -7.641 7.088 1.00 0.00 C ATOM 517 ND1 HIS A 35 -1.556 -8.949 7.515 1.00 0.00 N ATOM 518 CD2 HIS A 35 -1.226 -7.696 5.757 1.00 0.00 C ATOM 519 CE1 HIS A 35 -1.377 -9.759 6.486 1.00 0.00 C ATOM 520 NE2 HIS A 35 -1.175 -9.023 5.408 1.00 0.00 N ATOM 0 H HIS A 35 -2.069 -4.289 6.756 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.736 -6.531 7.635 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.842 -5.739 7.789 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.469 -6.801 9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.098 -6.853 5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.393 -10.838 6.521 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.008 -9.382 4.468 1.00 0.00 H new ATOM 529 N GLU A 36 -2.671 -4.112 9.629 1.00 0.00 N ATOM 530 CA GLU A 36 -2.938 -3.438 10.895 1.00 0.00 C ATOM 531 C GLU A 36 -2.443 -1.995 10.858 1.00 0.00 C ATOM 532 O GLU A 36 -1.405 -1.697 10.266 1.00 0.00 O ATOM 533 CB GLU A 36 -2.269 -4.189 12.048 1.00 0.00 C ATOM 534 CG GLU A 36 -2.637 -5.661 12.111 1.00 0.00 C ATOM 535 CD GLU A 36 -2.137 -6.335 13.374 1.00 0.00 C ATOM 536 OE1 GLU A 36 -2.772 -6.156 14.434 1.00 0.00 O ATOM 537 OE2 GLU A 36 -1.109 -7.041 13.302 1.00 0.00 O ATOM 0 H GLU A 36 -1.918 -3.697 9.080 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.016 -3.430 11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.187 -4.098 11.951 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.546 -3.714 12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.721 -5.763 12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.222 -6.173 11.242 1.00 0.00 H new ATOM 544 N LYS A 37 -3.193 -1.102 11.495 1.00 0.00 N ATOM 545 CA LYS A 37 -2.833 0.310 11.537 1.00 0.00 C ATOM 546 C LYS A 37 -2.970 0.865 12.951 1.00 0.00 C ATOM 547 O LYS A 37 -3.883 1.639 13.240 1.00 0.00 O ATOM 548 CB LYS A 37 -3.714 1.111 10.576 1.00 0.00 C ATOM 549 CG LYS A 37 -3.855 0.474 9.204 1.00 0.00 C ATOM 550 CD LYS A 37 -4.918 1.171 8.372 1.00 0.00 C ATOM 551 CE LYS A 37 -6.288 0.546 8.582 1.00 0.00 C ATOM 552 NZ LYS A 37 -6.906 0.983 9.865 1.00 0.00 N ATOM 0 H LYS A 37 -4.055 -1.332 11.990 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.792 0.403 11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.704 1.228 11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.296 2.111 10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.899 0.515 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.112 -0.579 9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.954 2.228 8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.650 1.116 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.942 0.817 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.197 -0.540 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.942 0.972 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.619 0.335 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.589 1.947 10.093 1.00 0.00 H new ATOM 566 N LYS A 38 -2.056 0.466 13.829 1.00 0.00 N ATOM 567 CA LYS A 38 -2.072 0.925 15.213 1.00 0.00 C ATOM 568 C LYS A 38 -1.615 2.377 15.310 1.00 0.00 C ATOM 569 O LYS A 38 -2.292 3.210 15.910 1.00 0.00 O ATOM 570 CB LYS A 38 -1.173 0.037 16.076 1.00 0.00 C ATOM 571 CG LYS A 38 -1.531 -1.437 16.013 1.00 0.00 C ATOM 572 CD LYS A 38 -0.781 -2.146 14.897 1.00 0.00 C ATOM 573 CE LYS A 38 -0.643 -3.635 15.177 1.00 0.00 C ATOM 574 NZ LYS A 38 0.404 -4.264 14.326 1.00 0.00 N ATOM 0 H LYS A 38 -1.294 -0.175 13.606 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.096 0.860 15.580 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.138 0.165 15.758 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.232 0.372 17.111 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.298 -1.910 16.967 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.604 -1.545 15.857 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.307 -1.999 13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.208 -1.703 14.783 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.396 -3.786 16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.599 -4.128 15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.200 -5.278 14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.410 -3.810 13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.334 -4.144 14.775 1.00 0.00 H new ATOM 588 N GLU A 39 -0.464 2.671 14.715 1.00 0.00 N ATOM 589 CA GLU A 39 0.082 4.024 14.734 1.00 0.00 C ATOM 590 C GLU A 39 -0.854 4.998 14.025 1.00 0.00 C ATOM 591 O GLU A 39 -1.895 4.604 13.501 1.00 0.00 O ATOM 592 CB GLU A 39 1.461 4.051 14.073 1.00 0.00 C ATOM 593 CG GLU A 39 2.588 3.617 14.995 1.00 0.00 C ATOM 594 CD GLU A 39 2.580 4.362 16.316 1.00 0.00 C ATOM 595 OE1 GLU A 39 2.812 5.589 16.307 1.00 0.00 O ATOM 596 OE2 GLU A 39 2.341 3.718 17.359 1.00 0.00 O ATOM 0 H GLU A 39 0.109 1.992 14.214 1.00 0.00 H new ATOM 0 HA GLU A 39 0.180 4.334 15.774 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.448 3.401 13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.664 5.061 13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.505 2.547 15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.544 3.779 14.496 1.00 0.00 H new ATOM 603 N GLU A 40 -0.475 6.272 14.014 1.00 0.00 N ATOM 604 CA GLU A 40 -1.281 7.303 13.371 1.00 0.00 C ATOM 605 C GLU A 40 -1.327 7.094 11.860 1.00 0.00 C ATOM 606 O GLU A 40 -2.394 6.891 11.283 1.00 0.00 O ATOM 607 CB GLU A 40 -0.720 8.691 13.688 1.00 0.00 C ATOM 608 CG GLU A 40 -0.600 8.974 15.176 1.00 0.00 C ATOM 609 CD GLU A 40 -0.548 10.457 15.486 1.00 0.00 C ATOM 610 OE1 GLU A 40 -1.161 11.243 14.733 1.00 0.00 O ATOM 611 OE2 GLU A 40 0.106 10.832 16.482 1.00 0.00 O ATOM 0 H GLU A 40 0.385 6.615 14.443 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.296 7.231 13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.263 8.790 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.362 9.446 13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.447 8.528 15.696 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.300 8.494 15.562 1.00 0.00 H new ATOM 618 N GLY A 41 -0.159 7.146 11.226 1.00 0.00 N ATOM 619 CA GLY A 41 -0.088 6.961 9.788 1.00 0.00 C ATOM 620 C GLY A 41 0.634 5.685 9.402 1.00 0.00 C ATOM 621 O GLY A 41 0.277 5.035 8.420 1.00 0.00 O ATOM 0 H GLY A 41 0.738 7.313 11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.097 6.942 9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.423 7.813 9.340 1.00 0.00 H new ATOM 625 N TRP A 42 1.653 5.328 10.176 1.00 0.00 N ATOM 626 CA TRP A 42 2.429 4.121 9.908 1.00 0.00 C ATOM 627 C TRP A 42 1.519 2.902 9.804 1.00 0.00 C ATOM 628 O TRP A 42 1.136 2.314 10.816 1.00 0.00 O ATOM 629 CB TRP A 42 3.469 3.905 11.008 1.00 0.00 C ATOM 630 CG TRP A 42 4.281 5.129 11.307 1.00 0.00 C ATOM 631 CD1 TRP A 42 3.978 6.116 12.201 1.00 0.00 C ATOM 632 CD2 TRP A 42 5.529 5.496 10.709 1.00 0.00 C ATOM 633 NE1 TRP A 42 4.962 7.074 12.195 1.00 0.00 N ATOM 634 CE2 TRP A 42 5.926 6.717 11.289 1.00 0.00 C ATOM 635 CE3 TRP A 42 6.351 4.911 9.742 1.00 0.00 C ATOM 636 CZ2 TRP A 42 7.107 7.362 10.931 1.00 0.00 C ATOM 637 CZ3 TRP A 42 7.523 5.552 9.388 1.00 0.00 C ATOM 638 CH2 TRP A 42 7.893 6.767 9.982 1.00 0.00 C ATOM 0 H TRP A 42 1.961 5.856 10.993 1.00 0.00 H new ATOM 0 HA TRP A 42 2.941 4.251 8.955 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.963 3.582 11.918 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.138 3.097 10.712 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.094 6.140 12.822 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.973 7.915 12.772 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.075 3.975 9.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.393 8.299 11.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.165 5.109 8.641 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.816 7.242 9.685 1.00 0.00 H new ATOM 649 N TRP A 43 1.179 2.526 8.576 1.00 0.00 N ATOM 650 CA TRP A 43 0.315 1.375 8.342 1.00 0.00 C ATOM 651 C TRP A 43 1.139 0.114 8.110 1.00 0.00 C ATOM 652 O TRP A 43 2.285 0.182 7.667 1.00 0.00 O ATOM 653 CB TRP A 43 -0.596 1.632 7.140 1.00 0.00 C ATOM 654 CG TRP A 43 -1.671 2.640 7.414 1.00 0.00 C ATOM 655 CD1 TRP A 43 -1.760 3.471 8.494 1.00 0.00 C ATOM 656 CD2 TRP A 43 -2.812 2.920 6.595 1.00 0.00 C ATOM 657 NE1 TRP A 43 -2.887 4.251 8.396 1.00 0.00 N ATOM 658 CE2 TRP A 43 -3.549 3.933 7.239 1.00 0.00 C ATOM 659 CE3 TRP A 43 -3.281 2.416 5.379 1.00 0.00 C ATOM 660 CZ2 TRP A 43 -4.728 4.448 6.708 1.00 0.00 C ATOM 661 CZ3 TRP A 43 -4.452 2.927 4.853 1.00 0.00 C ATOM 662 CH2 TRP A 43 -5.165 3.935 5.517 1.00 0.00 C ATOM 0 H TRP A 43 1.488 3.001 7.728 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.299 1.226 9.230 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.009 1.976 6.301 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.058 0.693 6.836 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.049 3.509 9.306 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.183 4.953 9.074 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.738 1.641 4.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.278 5.225 7.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.824 2.543 3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.077 4.314 5.080 1.00 0.00 H new ATOM 673 N PHE A 44 0.548 -1.037 8.413 1.00 0.00 N ATOM 674 CA PHE A 44 1.229 -2.315 8.238 1.00 0.00 C ATOM 675 C PHE A 44 0.454 -3.219 7.283 1.00 0.00 C ATOM 676 O PHE A 44 -0.708 -3.545 7.526 1.00 0.00 O ATOM 677 CB PHE A 44 1.405 -3.012 9.588 1.00 0.00 C ATOM 678 CG PHE A 44 2.206 -4.281 9.509 1.00 0.00 C ATOM 679 CD1 PHE A 44 3.557 -4.244 9.203 1.00 0.00 C ATOM 680 CD2 PHE A 44 1.607 -5.509 9.739 1.00 0.00 C ATOM 681 CE1 PHE A 44 4.297 -5.409 9.129 1.00 0.00 C ATOM 682 CE2 PHE A 44 2.342 -6.677 9.666 1.00 0.00 C ATOM 683 CZ PHE A 44 3.688 -6.628 9.360 1.00 0.00 C ATOM 0 H PHE A 44 -0.401 -1.111 8.781 1.00 0.00 H new ATOM 0 HA PHE A 44 2.211 -2.119 7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.893 -2.326 10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.422 -3.237 10.002 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.037 -3.294 9.020 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.555 -5.554 9.978 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.350 -5.367 8.891 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.864 -7.628 9.848 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.263 -7.540 9.301 1.00 0.00 H new ATOM 693 N GLY A 45 1.106 -3.619 6.196 1.00 0.00 N ATOM 694 CA GLY A 45 0.463 -4.480 5.221 1.00 0.00 C ATOM 695 C GLY A 45 1.432 -5.000 4.178 1.00 0.00 C ATOM 696 O GLY A 45 2.610 -4.641 4.182 1.00 0.00 O ATOM 0 H GLY A 45 2.068 -3.362 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.000 -5.323 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.337 -3.929 4.726 1.00 0.00 H new ATOM 700 N SER A 46 0.937 -5.849 3.283 1.00 0.00 N ATOM 701 CA SER A 46 1.770 -6.423 2.232 1.00 0.00 C ATOM 702 C SER A 46 1.392 -5.854 0.868 1.00 0.00 C ATOM 703 O SER A 46 0.240 -5.946 0.441 1.00 0.00 O ATOM 704 CB SER A 46 1.631 -7.947 2.218 1.00 0.00 C ATOM 705 OG SER A 46 2.248 -8.504 1.071 1.00 0.00 O ATOM 0 H SER A 46 -0.036 -6.155 3.264 1.00 0.00 H new ATOM 0 HA SER A 46 2.807 -6.161 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.083 -8.365 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.576 -8.219 2.236 1.00 0.00 H new ATOM 0 HG SER A 46 2.147 -9.479 1.086 1.00 0.00 H new ATOM 711 N LEU A 47 2.370 -5.267 0.187 1.00 0.00 N ATOM 712 CA LEU A 47 2.142 -4.682 -1.130 1.00 0.00 C ATOM 713 C LEU A 47 2.060 -5.766 -2.200 1.00 0.00 C ATOM 714 O LEU A 47 0.977 -6.094 -2.684 1.00 0.00 O ATOM 715 CB LEU A 47 3.259 -3.695 -1.472 1.00 0.00 C ATOM 716 CG LEU A 47 3.429 -3.361 -2.954 1.00 0.00 C ATOM 717 CD1 LEU A 47 2.083 -3.051 -3.589 1.00 0.00 C ATOM 718 CD2 LEU A 47 4.387 -2.192 -3.131 1.00 0.00 C ATOM 0 H LEU A 47 3.329 -5.183 0.525 1.00 0.00 H new ATOM 0 HA LEU A 47 1.191 -4.150 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.075 -2.767 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.201 -4.100 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 47 3.853 -4.231 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.224 -2.816 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.428 -3.917 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.630 -2.198 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.496 -1.968 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.993 -1.317 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.360 -2.452 -2.713 1.00 0.00 H new ATOM 730 N ASN A 48 3.212 -6.320 -2.563 1.00 0.00 N ATOM 731 CA ASN A 48 3.271 -7.369 -3.574 1.00 0.00 C ATOM 732 C ASN A 48 3.866 -8.650 -2.997 1.00 0.00 C ATOM 733 O ASN A 48 4.769 -9.246 -3.583 1.00 0.00 O ATOM 734 CB ASN A 48 4.099 -6.904 -4.774 1.00 0.00 C ATOM 735 CG ASN A 48 3.253 -6.217 -5.829 1.00 0.00 C ATOM 736 OD1 ASN A 48 2.140 -6.649 -6.126 1.00 0.00 O ATOM 737 ND2 ASN A 48 3.780 -5.140 -6.400 1.00 0.00 N ATOM 0 H ASN A 48 4.117 -6.060 -2.172 1.00 0.00 H new ATOM 0 HA ASN A 48 2.253 -7.579 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.876 -6.220 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.603 -7.762 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.258 -4.635 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.707 -4.817 -6.122 1.00 0.00 H new ATOM 744 N GLY A 49 3.354 -9.067 -1.843 1.00 0.00 N ATOM 745 CA GLY A 49 3.846 -10.274 -1.205 1.00 0.00 C ATOM 746 C GLY A 49 4.840 -9.981 -0.099 1.00 0.00 C ATOM 747 O GLY A 49 5.333 -10.895 0.562 1.00 0.00 O ATOM 0 H GLY A 49 2.607 -8.590 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.005 -10.833 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.317 -10.911 -1.954 1.00 0.00 H new ATOM 751 N LYS A 50 5.138 -8.702 0.103 1.00 0.00 N ATOM 752 CA LYS A 50 6.080 -8.289 1.137 1.00 0.00 C ATOM 753 C LYS A 50 5.413 -7.349 2.137 1.00 0.00 C ATOM 754 O LYS A 50 4.883 -6.303 1.763 1.00 0.00 O ATOM 755 CB LYS A 50 7.293 -7.602 0.506 1.00 0.00 C ATOM 756 CG LYS A 50 8.178 -8.544 -0.291 1.00 0.00 C ATOM 757 CD LYS A 50 9.622 -8.069 -0.312 1.00 0.00 C ATOM 758 CE LYS A 50 9.709 -6.558 -0.460 1.00 0.00 C ATOM 759 NZ LYS A 50 11.070 -6.119 -0.877 1.00 0.00 N ATOM 0 H LYS A 50 4.740 -7.933 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 50 6.411 -9.181 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.947 -6.801 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.887 -7.137 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.129 -9.543 0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.804 -8.619 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.120 -8.375 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.152 -8.548 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.978 -6.222 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.449 -6.085 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.088 -5.083 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.765 -6.417 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.308 -6.550 -1.793 1.00 0.00 H new ATOM 773 N LYS A 51 5.445 -7.728 3.410 1.00 0.00 N ATOM 774 CA LYS A 51 4.847 -6.918 4.465 1.00 0.00 C ATOM 775 C LYS A 51 5.850 -5.905 5.008 1.00 0.00 C ATOM 776 O LYS A 51 7.059 -6.069 4.851 1.00 0.00 O ATOM 777 CB LYS A 51 4.343 -7.813 5.599 1.00 0.00 C ATOM 778 CG LYS A 51 2.891 -8.231 5.445 1.00 0.00 C ATOM 779 CD LYS A 51 2.265 -8.576 6.786 1.00 0.00 C ATOM 780 CE LYS A 51 2.598 -9.999 7.207 1.00 0.00 C ATOM 781 NZ LYS A 51 1.746 -10.455 8.340 1.00 0.00 N ATOM 0 H LYS A 51 5.879 -8.591 3.736 1.00 0.00 H new ATOM 0 HA LYS A 51 4.004 -6.374 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.966 -8.706 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.462 -7.287 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.327 -7.425 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.828 -9.093 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.620 -7.879 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.183 -8.457 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.464 -10.670 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.648 -10.056 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.003 -11.429 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.893 -9.830 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.746 -10.425 8.056 1.00 0.00 H new ATOM 795 N GLY A 52 5.339 -4.859 5.651 1.00 0.00 N ATOM 796 CA GLY A 52 6.205 -3.837 6.209 1.00 0.00 C ATOM 797 C GLY A 52 5.436 -2.611 6.663 1.00 0.00 C ATOM 798 O GLY A 52 4.205 -2.607 6.664 1.00 0.00 O ATOM 0 H GLY A 52 4.342 -4.701 5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.754 -4.252 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.943 -3.543 5.463 1.00 0.00 H new ATOM 802 N HIS A 53 6.164 -1.569 7.051 1.00 0.00 N ATOM 803 CA HIS A 53 5.543 -0.332 7.511 1.00 0.00 C ATOM 804 C HIS A 53 5.616 0.746 6.433 1.00 0.00 C ATOM 805 O HIS A 53 6.681 1.007 5.873 1.00 0.00 O ATOM 806 CB HIS A 53 6.223 0.161 8.788 1.00 0.00 C ATOM 807 CG HIS A 53 6.166 -0.823 9.915 1.00 0.00 C ATOM 808 ND1 HIS A 53 7.262 -1.545 10.340 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.137 -1.203 10.708 1.00 0.00 C ATOM 810 CE1 HIS A 53 6.909 -2.327 11.344 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.624 -2.139 11.588 1.00 0.00 N ATOM 0 H HIS A 53 7.184 -1.556 7.056 1.00 0.00 H new ATOM 0 HA HIS A 53 4.494 -0.538 7.724 1.00 0.00 H new ATOM 0 HB2 HIS A 53 7.266 0.390 8.569 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.752 1.091 9.105 1.00 0.00 H new ATOM 0 HD1 HIS A 53 8.199 -1.484 9.941 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.122 -0.838 10.658 1.00 0.00 H new ATOM 0 HE1 HIS A 53 7.560 -3.005 11.875 1.00 0.00 H new ATOM 820 N PHE A 54 4.477 1.367 6.146 1.00 0.00 N ATOM 821 CA PHE A 54 4.411 2.415 5.134 1.00 0.00 C ATOM 822 C PHE A 54 3.524 3.566 5.600 1.00 0.00 C ATOM 823 O PHE A 54 2.625 3.397 6.424 1.00 0.00 O ATOM 824 CB PHE A 54 3.880 1.848 3.816 1.00 0.00 C ATOM 825 CG PHE A 54 2.585 1.101 3.963 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.380 1.782 4.016 1.00 0.00 C ATOM 827 CD2 PHE A 54 2.574 -0.282 4.049 1.00 0.00 C ATOM 828 CE1 PHE A 54 0.186 1.097 4.151 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.384 -0.971 4.184 1.00 0.00 C ATOM 830 CZ PHE A 54 0.189 -0.281 4.236 1.00 0.00 C ATOM 0 H PHE A 54 3.587 1.163 6.600 1.00 0.00 H new ATOM 0 HA PHE A 54 5.419 2.798 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.740 2.665 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.629 1.181 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.373 2.860 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.506 -0.827 4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.747 1.639 4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.388 -2.049 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.742 -0.818 4.343 1.00 0.00 H new ATOM 840 N PRO A 55 3.782 4.767 5.060 1.00 0.00 N ATOM 841 CA PRO A 55 3.019 5.970 5.405 1.00 0.00 C ATOM 842 C PRO A 55 1.593 5.926 4.867 1.00 0.00 C ATOM 843 O PRO A 55 1.348 5.422 3.771 1.00 0.00 O ATOM 844 CB PRO A 55 3.810 7.096 4.733 1.00 0.00 C ATOM 845 CG PRO A 55 4.524 6.436 3.604 1.00 0.00 C ATOM 846 CD PRO A 55 4.839 5.042 4.072 1.00 0.00 C ATOM 0 HA PRO A 55 2.912 6.090 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.149 7.886 4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.511 7.557 5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.903 6.416 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.435 6.977 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.816 4.327 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.832 4.983 4.518 1.00 0.00 H new ATOM 854 N ALA A 56 0.655 6.457 5.645 1.00 0.00 N ATOM 855 CA ALA A 56 -0.746 6.480 5.245 1.00 0.00 C ATOM 856 C ALA A 56 -1.004 7.570 4.211 1.00 0.00 C ATOM 857 O ALA A 56 -1.523 7.302 3.128 1.00 0.00 O ATOM 858 CB ALA A 56 -1.639 6.681 6.461 1.00 0.00 C ATOM 0 H ALA A 56 0.841 6.877 6.556 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.983 5.519 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.683 6.696 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.484 5.864 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.391 7.627 6.942 1.00 0.00 H new ATOM 864 N ALA A 57 -0.638 8.802 4.552 1.00 0.00 N ATOM 865 CA ALA A 57 -0.829 9.932 3.652 1.00 0.00 C ATOM 866 C ALA A 57 -0.444 9.567 2.223 1.00 0.00 C ATOM 867 O ALA A 57 -0.904 10.191 1.266 1.00 0.00 O ATOM 868 CB ALA A 57 -0.019 11.129 4.129 1.00 0.00 C ATOM 0 H ALA A 57 -0.208 9.042 5.445 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.887 10.196 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.171 11.966 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.344 11.413 5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.039 10.867 4.151 1.00 0.00 H new ATOM 874 N TYR A 58 0.404 8.553 2.084 1.00 0.00 N ATOM 875 CA TYR A 58 0.853 8.107 0.770 1.00 0.00 C ATOM 876 C TYR A 58 -0.183 7.195 0.121 1.00 0.00 C ATOM 877 O TYR A 58 -0.410 7.255 -1.088 1.00 0.00 O ATOM 878 CB TYR A 58 2.191 7.376 0.887 1.00 0.00 C ATOM 879 CG TYR A 58 3.379 8.303 1.016 1.00 0.00 C ATOM 880 CD1 TYR A 58 3.506 9.153 2.108 1.00 0.00 C ATOM 881 CD2 TYR A 58 4.373 8.329 0.046 1.00 0.00 C ATOM 882 CE1 TYR A 58 4.589 10.002 2.229 1.00 0.00 C ATOM 883 CE2 TYR A 58 5.460 9.174 0.160 1.00 0.00 C ATOM 884 CZ TYR A 58 5.563 10.009 1.253 1.00 0.00 C ATOM 885 OH TYR A 58 6.644 10.853 1.369 1.00 0.00 O ATOM 0 H TYR A 58 0.794 8.025 2.865 1.00 0.00 H new ATOM 0 HA TYR A 58 0.981 8.987 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.160 6.716 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.328 6.744 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.745 9.150 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.295 7.678 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.672 10.657 3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.225 9.181 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 58 7.237 10.733 0.598 1.00 0.00 H new ATOM 895 N VAL A 59 -0.810 6.350 0.933 1.00 0.00 N ATOM 896 CA VAL A 59 -1.824 5.425 0.440 1.00 0.00 C ATOM 897 C VAL A 59 -3.225 5.895 0.814 1.00 0.00 C ATOM 898 O VAL A 59 -3.401 6.655 1.766 1.00 0.00 O ATOM 899 CB VAL A 59 -1.605 4.005 0.995 1.00 0.00 C ATOM 900 CG1 VAL A 59 -0.228 3.487 0.610 1.00 0.00 C ATOM 901 CG2 VAL A 59 -1.787 3.989 2.505 1.00 0.00 C ATOM 0 H VAL A 59 -0.634 6.287 1.936 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.730 5.401 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.351 3.343 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.092 2.483 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.140 3.459 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.537 4.148 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.629 2.978 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.066 4.664 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.797 4.314 2.753 1.00 0.00 H new ATOM 911 N GLU A 60 -4.218 5.437 0.059 1.00 0.00 N ATOM 912 CA GLU A 60 -5.604 5.812 0.312 1.00 0.00 C ATOM 913 C GLU A 60 -6.478 4.574 0.491 1.00 0.00 C ATOM 914 O GLU A 60 -6.544 3.716 -0.388 1.00 0.00 O ATOM 915 CB GLU A 60 -6.143 6.667 -0.837 1.00 0.00 C ATOM 916 CG GLU A 60 -7.606 7.046 -0.680 1.00 0.00 C ATOM 917 CD GLU A 60 -7.799 8.285 0.173 1.00 0.00 C ATOM 918 OE1 GLU A 60 -7.051 8.447 1.160 1.00 0.00 O ATOM 919 OE2 GLU A 60 -8.698 9.091 -0.145 1.00 0.00 O ATOM 0 H GLU A 60 -4.089 4.806 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.633 6.394 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.547 7.576 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.016 6.124 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.041 7.216 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.147 6.213 -0.232 1.00 0.00 H new ATOM 926 N GLU A 61 -7.147 4.489 1.638 1.00 0.00 N ATOM 927 CA GLU A 61 -8.015 3.356 1.933 1.00 0.00 C ATOM 928 C GLU A 61 -9.085 3.195 0.857 1.00 0.00 C ATOM 929 O GLU A 61 -9.719 4.168 0.446 1.00 0.00 O ATOM 930 CB GLU A 61 -8.675 3.534 3.302 1.00 0.00 C ATOM 931 CG GLU A 61 -9.000 2.222 3.996 1.00 0.00 C ATOM 932 CD GLU A 61 -10.016 2.387 5.110 1.00 0.00 C ATOM 933 OE1 GLU A 61 -11.229 2.344 4.817 1.00 0.00 O ATOM 934 OE2 GLU A 61 -9.598 2.560 6.273 1.00 0.00 O ATOM 0 H GLU A 61 -7.104 5.191 2.377 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.401 2.455 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.014 4.119 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.593 4.109 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.383 1.512 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.084 1.795 4.405 1.00 0.00 H new ATOM 941 N LEU A 62 -9.280 1.962 0.404 1.00 0.00 N ATOM 942 CA LEU A 62 -10.272 1.672 -0.625 1.00 0.00 C ATOM 943 C LEU A 62 -11.376 0.771 -0.079 1.00 0.00 C ATOM 944 O LEU A 62 -11.169 -0.014 0.846 1.00 0.00 O ATOM 945 CB LEU A 62 -9.606 1.008 -1.831 1.00 0.00 C ATOM 946 CG LEU A 62 -8.562 1.847 -2.567 1.00 0.00 C ATOM 947 CD1 LEU A 62 -7.847 1.009 -3.617 1.00 0.00 C ATOM 948 CD2 LEU A 62 -9.211 3.066 -3.207 1.00 0.00 C ATOM 0 H LEU A 62 -8.764 1.146 0.733 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.720 2.615 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.131 0.085 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.384 0.727 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.825 2.191 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.107 1.623 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.348 0.169 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.572 0.634 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.452 3.651 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.970 2.742 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.676 3.678 -2.434 1.00 0.00 H new ATOM 960 N PRO A 63 -12.577 0.884 -0.665 1.00 0.00 N ATOM 961 CA PRO A 63 -13.736 0.086 -0.256 1.00 0.00 C ATOM 962 C PRO A 63 -13.586 -1.386 -0.625 1.00 0.00 C ATOM 963 O PRO A 63 -12.772 -1.742 -1.477 1.00 0.00 O ATOM 964 CB PRO A 63 -14.894 0.717 -1.034 1.00 0.00 C ATOM 965 CG PRO A 63 -14.253 1.340 -2.226 1.00 0.00 C ATOM 966 CD PRO A 63 -12.895 1.800 -1.774 1.00 0.00 C ATOM 0 HA PRO A 63 -13.876 0.095 0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.630 -0.032 -1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.417 1.460 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.170 0.624 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.846 2.177 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.160 1.731 -2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.911 2.839 -1.445 1.00 0.00 H new ATOM 974 N SER A 64 -14.375 -2.237 0.023 1.00 0.00 N ATOM 975 CA SER A 64 -14.327 -3.671 -0.235 1.00 0.00 C ATOM 976 C SER A 64 -14.172 -3.950 -1.727 1.00 0.00 C ATOM 977 O SER A 64 -15.093 -3.724 -2.510 1.00 0.00 O ATOM 978 CB SER A 64 -15.593 -4.349 0.294 1.00 0.00 C ATOM 979 OG SER A 64 -15.465 -5.760 0.268 1.00 0.00 O ATOM 0 H SER A 64 -15.055 -1.958 0.730 1.00 0.00 H new ATOM 0 HA SER A 64 -13.461 -4.080 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.788 -4.017 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.450 -4.047 -0.309 1.00 0.00 H new ATOM 0 HG SER A 64 -16.286 -6.169 0.612 1.00 0.00 H new ATOM 985 N ASN A 65 -13.000 -4.444 -2.112 1.00 0.00 N ATOM 986 CA ASN A 65 -12.723 -4.754 -3.509 1.00 0.00 C ATOM 987 C ASN A 65 -13.038 -6.215 -3.815 1.00 0.00 C ATOM 988 O ASN A 65 -12.864 -7.089 -2.966 1.00 0.00 O ATOM 989 CB ASN A 65 -11.259 -4.456 -3.839 1.00 0.00 C ATOM 990 CG ASN A 65 -10.342 -5.617 -3.501 1.00 0.00 C ATOM 991 OD1 ASN A 65 -9.843 -6.307 -4.390 1.00 0.00 O ATOM 992 ND2 ASN A 65 -10.118 -5.837 -2.211 1.00 0.00 N ATOM 0 H ASN A 65 -12.227 -4.638 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.363 -4.126 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.169 -4.222 -4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.938 -3.571 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.511 -6.604 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.553 -5.239 -1.509 1.00 0.00 H new ATOM 999 N ALA A 66 -13.501 -6.472 -5.034 1.00 0.00 N ATOM 1000 CA ALA A 66 -13.837 -7.827 -5.453 1.00 0.00 C ATOM 1001 C ALA A 66 -13.869 -7.940 -6.974 1.00 0.00 C ATOM 1002 O ALA A 66 -13.965 -6.936 -7.678 1.00 0.00 O ATOM 1003 CB ALA A 66 -15.176 -8.245 -4.864 1.00 0.00 C ATOM 0 H ALA A 66 -13.652 -5.760 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.063 -8.498 -5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.414 -9.259 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -15.121 -8.213 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -15.954 -7.563 -5.208 1.00 0.00 H new ATOM 1009 N GLY A 67 -13.786 -9.169 -7.474 1.00 0.00 N ATOM 1010 CA GLY A 67 -13.806 -9.389 -8.908 1.00 0.00 C ATOM 1011 C GLY A 67 -12.437 -9.227 -9.539 1.00 0.00 C ATOM 1012 O GLY A 67 -11.938 -10.138 -10.197 1.00 0.00 O ATOM 0 H GLY A 67 -13.705 -10.016 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.181 -10.392 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.501 -8.688 -9.370 1.00 0.00 H new ATOM 1016 N ASN A 68 -11.829 -8.062 -9.338 1.00 0.00 N ATOM 1017 CA ASN A 68 -10.510 -7.783 -9.895 1.00 0.00 C ATOM 1018 C ASN A 68 -9.477 -8.775 -9.370 1.00 0.00 C ATOM 1019 O ASN A 68 -8.801 -9.453 -10.145 1.00 0.00 O ATOM 1020 CB ASN A 68 -10.081 -6.354 -9.552 1.00 0.00 C ATOM 1021 CG ASN A 68 -10.606 -5.338 -10.548 1.00 0.00 C ATOM 1022 OD1 ASN A 68 -10.058 -5.183 -11.639 1.00 0.00 O ATOM 1023 ND2 ASN A 68 -11.673 -4.641 -10.175 1.00 0.00 N ATOM 0 H ASN A 68 -12.228 -7.297 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.571 -7.888 -10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.439 -6.100 -8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.993 -6.301 -9.523 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.071 -3.943 -10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.094 -4.804 -9.260 1.00 0.00 H new ATOM 1030 N THR A 69 -9.361 -8.857 -8.049 1.00 0.00 N ATOM 1031 CA THR A 69 -8.411 -9.766 -7.420 1.00 0.00 C ATOM 1032 C THR A 69 -8.555 -11.180 -7.971 1.00 0.00 C ATOM 1033 O THR A 69 -9.634 -11.578 -8.410 1.00 0.00 O ATOM 1034 CB THR A 69 -8.594 -9.802 -5.891 1.00 0.00 C ATOM 1035 OG1 THR A 69 -7.576 -10.612 -5.294 1.00 0.00 O ATOM 1036 CG2 THR A 69 -9.965 -10.349 -5.523 1.00 0.00 C ATOM 0 H THR A 69 -9.913 -8.305 -7.393 1.00 0.00 H new ATOM 0 HA THR A 69 -7.414 -9.389 -7.650 1.00 0.00 H new ATOM 0 HB THR A 69 -8.514 -8.782 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.699 -10.628 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.071 -10.365 -4.438 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.738 -9.713 -5.954 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.069 -11.362 -5.913 1.00 0.00 H new ATOM 1044 N ALA A 70 -7.463 -11.936 -7.943 1.00 0.00 N ATOM 1045 CA ALA A 70 -7.469 -13.307 -8.437 1.00 0.00 C ATOM 1046 C ALA A 70 -7.205 -14.299 -7.309 1.00 0.00 C ATOM 1047 O ALA A 70 -6.078 -14.759 -7.124 1.00 0.00 O ATOM 1048 CB ALA A 70 -6.437 -13.475 -9.543 1.00 0.00 C ATOM 0 H ALA A 70 -6.562 -11.622 -7.583 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.458 -13.515 -8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.453 -14.504 -9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.672 -12.800 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.446 -13.242 -9.154 1.00 0.00 H new ATOM 1054 N THR A 71 -8.251 -14.624 -6.556 1.00 0.00 N ATOM 1055 CA THR A 71 -8.131 -15.559 -5.445 1.00 0.00 C ATOM 1056 C THR A 71 -7.511 -16.875 -5.898 1.00 0.00 C ATOM 1057 O THR A 71 -8.179 -17.712 -6.506 1.00 0.00 O ATOM 1058 CB THR A 71 -9.501 -15.845 -4.801 1.00 0.00 C ATOM 1059 OG1 THR A 71 -10.149 -14.614 -4.461 1.00 0.00 O ATOM 1060 CG2 THR A 71 -9.344 -16.702 -3.554 1.00 0.00 C ATOM 0 H THR A 71 -9.191 -14.253 -6.696 1.00 0.00 H new ATOM 0 HA THR A 71 -7.481 -15.090 -4.706 1.00 0.00 H new ATOM 0 HB THR A 71 -10.111 -16.389 -5.523 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.020 -14.804 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.324 -16.891 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.877 -17.650 -3.821 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.718 -16.180 -2.830 1.00 0.00 H new ATOM 1068 N LYS A 72 -6.229 -17.054 -5.599 1.00 0.00 N ATOM 1069 CA LYS A 72 -5.517 -18.271 -5.975 1.00 0.00 C ATOM 1070 C LYS A 72 -4.679 -18.791 -4.812 1.00 0.00 C ATOM 1071 O LYS A 72 -4.159 -18.014 -4.012 1.00 0.00 O ATOM 1072 CB LYS A 72 -4.621 -18.008 -7.187 1.00 0.00 C ATOM 1073 CG LYS A 72 -5.384 -17.571 -8.425 1.00 0.00 C ATOM 1074 CD LYS A 72 -5.863 -18.764 -9.235 1.00 0.00 C ATOM 1075 CE LYS A 72 -4.764 -19.300 -10.140 1.00 0.00 C ATOM 1076 NZ LYS A 72 -5.171 -20.561 -10.819 1.00 0.00 N ATOM 0 H LYS A 72 -5.661 -16.372 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.255 -19.029 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.892 -17.239 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.060 -18.914 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.239 -16.963 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.744 -16.943 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.197 -19.552 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.723 -18.474 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.512 -18.549 -10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.864 -19.478 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.395 -20.894 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.387 -21.286 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.015 -20.385 -11.401 1.00 0.00 H new ATOM 1090 N ALA A 73 -4.551 -20.111 -4.725 1.00 0.00 N ATOM 1091 CA ALA A 73 -3.772 -20.735 -3.662 1.00 0.00 C ATOM 1092 C ALA A 73 -2.474 -19.975 -3.414 1.00 0.00 C ATOM 1093 O ALA A 73 -1.933 -19.339 -4.319 1.00 0.00 O ATOM 1094 CB ALA A 73 -3.479 -22.188 -4.006 1.00 0.00 C ATOM 0 H ALA A 73 -4.977 -20.769 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.361 -20.702 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.897 -22.642 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.417 -22.730 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.913 -22.235 -4.936 1.00 0.00 H new ATOM 1100 N SER A 74 -1.979 -20.044 -2.182 1.00 0.00 N ATOM 1101 CA SER A 74 -0.746 -19.358 -1.814 1.00 0.00 C ATOM 1102 C SER A 74 0.357 -20.361 -1.490 1.00 0.00 C ATOM 1103 O SER A 74 0.109 -21.397 -0.875 1.00 0.00 O ATOM 1104 CB SER A 74 -0.986 -18.441 -0.614 1.00 0.00 C ATOM 1105 OG SER A 74 0.223 -17.845 -0.177 1.00 0.00 O ATOM 0 H SER A 74 -2.413 -20.568 -1.422 1.00 0.00 H new ATOM 0 HA SER A 74 -0.427 -18.755 -2.664 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.701 -17.664 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.429 -19.013 0.202 1.00 0.00 H new ATOM 0 HG SER A 74 0.042 -17.262 0.590 1.00 0.00 H new ATOM 1111 N GLY A 75 1.579 -20.044 -1.909 1.00 0.00 N ATOM 1112 CA GLY A 75 2.703 -20.926 -1.655 1.00 0.00 C ATOM 1113 C GLY A 75 3.914 -20.579 -2.497 1.00 0.00 C ATOM 1114 O GLY A 75 4.226 -21.250 -3.481 1.00 0.00 O ATOM 0 H GLY A 75 1.810 -19.192 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.971 -20.873 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.406 -21.955 -1.858 1.00 0.00 H new ATOM 1118 N PRO A 76 4.620 -19.506 -2.111 1.00 0.00 N ATOM 1119 CA PRO A 76 5.815 -19.046 -2.824 1.00 0.00 C ATOM 1120 C PRO A 76 6.992 -20.001 -2.660 1.00 0.00 C ATOM 1121 O PRO A 76 6.918 -20.967 -1.901 1.00 0.00 O ATOM 1122 CB PRO A 76 6.124 -17.698 -2.167 1.00 0.00 C ATOM 1123 CG PRO A 76 5.529 -17.796 -0.805 1.00 0.00 C ATOM 1124 CD PRO A 76 4.306 -18.659 -0.948 1.00 0.00 C ATOM 0 HA PRO A 76 5.648 -18.983 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.198 -17.518 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.688 -16.873 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.236 -18.235 -0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.268 -16.810 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.128 -19.255 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.410 -18.061 -1.116 1.00 0.00 H new ATOM 1132 N SER A 77 8.078 -19.723 -3.375 1.00 0.00 N ATOM 1133 CA SER A 77 9.270 -20.560 -3.310 1.00 0.00 C ATOM 1134 C SER A 77 9.579 -20.956 -1.869 1.00 0.00 C ATOM 1135 O SER A 77 9.115 -20.316 -0.926 1.00 0.00 O ATOM 1136 CB SER A 77 10.467 -19.827 -3.918 1.00 0.00 C ATOM 1137 OG SER A 77 10.336 -19.714 -5.324 1.00 0.00 O ATOM 0 H SER A 77 8.157 -18.925 -4.005 1.00 0.00 H new ATOM 0 HA SER A 77 9.079 -21.467 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.552 -18.834 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.386 -20.362 -3.677 1.00 0.00 H new ATOM 0 HG SER A 77 11.113 -19.240 -5.688 1.00 0.00 H new ATOM 1143 N SER A 78 10.366 -22.015 -1.709 1.00 0.00 N ATOM 1144 CA SER A 78 10.735 -22.499 -0.384 1.00 0.00 C ATOM 1145 C SER A 78 12.219 -22.271 -0.116 1.00 0.00 C ATOM 1146 O SER A 78 12.593 -21.615 0.855 1.00 0.00 O ATOM 1147 CB SER A 78 10.403 -23.986 -0.251 1.00 0.00 C ATOM 1148 OG SER A 78 9.026 -24.225 -0.484 1.00 0.00 O ATOM 0 H SER A 78 10.760 -22.554 -2.480 1.00 0.00 H new ATOM 0 HA SER A 78 10.161 -21.939 0.354 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.000 -24.560 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.672 -24.334 0.746 1.00 0.00 H new ATOM 0 HG SER A 78 8.841 -25.183 -0.395 1.00 0.00 H new ATOM 1154 N GLY A 79 13.062 -22.820 -0.986 1.00 0.00 N ATOM 1155 CA GLY A 79 14.496 -22.666 -0.827 1.00 0.00 C ATOM 1156 C GLY A 79 14.975 -21.276 -1.193 1.00 0.00 C ATOM 1157 O GLY A 79 15.254 -20.995 -2.359 1.00 0.00 O ATOM 0 H GLY A 79 12.777 -23.368 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.769 -22.880 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.008 -23.399 -1.450 1.00 0.00 H new TER 1161 GLY A 79