USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 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 19 GLN : amide:sc= -1.51 X(o=-1.9,f=-2.2) USER MOD Set 1.2: A 23 SER OG : rot -37:sc= -0.366 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0506 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 106:sc= 0.0124 USER MOD Single : A 16 SER OG : rot 180:sc= -0.576 USER MOD Single : A 17 SER OG : rot -179:sc= 1.23 USER MOD Single : A 18 CYS SG : rot -80:sc= 0.0584 USER MOD Single : A 25 ASN : amide:sc= -0.578 K(o=-0.58,f=-1.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -51:sc= 0.389 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.298 (180deg=-1.77!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 42 GLN : amide:sc= -0.841 X(o=-0.84,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.64 K(o=-2.6,f=-4.3!) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.153 (180deg=-0.559) USER MOD Single : A 55 SER OG : rot 180:sc= 0.038 USER MOD Single : A 64 GLN : amide:sc= -0.153 K(o=-0.15,f=0.77) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.14 K(o=-2.1,f=-4.1!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.101 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= -0.0165 (180deg=-0.196) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= 1.12 (180deg=0.488) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -22:sc= 0.155 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.340 -0.329 -1.566 1.00 64.33 N ATOM 2 CA ALA A 1 0.582 -0.479 -2.686 1.00 35.30 C ATOM 3 C ALA A 1 1.592 -1.590 -2.420 1.00 42.15 C ATOM 4 O ALA A 1 1.866 -1.930 -1.269 1.00 61.32 O ATOM 5 CB ALA A 1 1.298 0.835 -2.960 1.00 21.35 C ATOM 0 H1 ALA A 1 -1.297 -0.608 -1.864 1.00 64.33 H new ATOM 0 H2 ALA A 1 -0.032 -0.935 -0.779 1.00 64.33 H new ATOM 0 H3 ALA A 1 -0.350 0.663 -1.255 1.00 64.33 H new ATOM 0 HA ALA A 1 0.003 -0.754 -3.567 1.00 35.30 H new ATOM 0 HB1 ALA A 1 1.983 0.708 -3.798 1.00 21.35 H new ATOM 0 HB2 ALA A 1 0.565 1.605 -3.203 1.00 21.35 H new ATOM 0 HB3 ALA A 1 1.859 1.135 -2.075 1.00 21.35 H new ATOM 11 N ILE A 2 2.142 -2.151 -3.492 1.00 25.23 N ATOM 12 CA ILE A 2 3.123 -3.223 -3.373 1.00 70.23 C ATOM 13 C ILE A 2 4.476 -2.795 -3.932 1.00 32.01 C ATOM 14 O ILE A 2 5.518 -3.322 -3.540 1.00 15.24 O ATOM 15 CB ILE A 2 2.657 -4.496 -4.105 1.00 43.45 C ATOM 16 CG1 ILE A 2 3.682 -5.618 -3.926 1.00 11.43 C ATOM 17 CG2 ILE A 2 2.435 -4.205 -5.582 1.00 60.43 C ATOM 18 CD1 ILE A 2 3.911 -6.001 -2.480 1.00 40.25 C ATOM 0 H ILE A 2 1.925 -1.881 -4.452 1.00 25.23 H new ATOM 0 HA ILE A 2 3.225 -3.441 -2.310 1.00 70.23 H new ATOM 0 HB ILE A 2 1.711 -4.821 -3.672 1.00 43.45 H new ATOM 0 HG12 ILE A 2 3.347 -6.496 -4.478 1.00 11.43 H new ATOM 0 HG13 ILE A 2 4.630 -5.307 -4.366 1.00 11.43 H new ATOM 0 HG21 ILE A 2 2.106 -5.114 -6.086 1.00 60.43 H new ATOM 0 HG22 ILE A 2 1.673 -3.434 -5.690 1.00 60.43 H new ATOM 0 HG23 ILE A 2 3.367 -3.859 -6.029 1.00 60.43 H new ATOM 0 HD11 ILE A 2 4.649 -6.802 -2.428 1.00 40.25 H new ATOM 0 HD12 ILE A 2 4.276 -5.135 -1.928 1.00 40.25 H new ATOM 0 HD13 ILE A 2 2.974 -6.343 -2.041 1.00 40.25 H new ATOM 30 N THR A 3 4.453 -1.834 -4.850 1.00 45.30 N ATOM 31 CA THR A 3 5.678 -1.333 -5.463 1.00 35.34 C ATOM 32 C THR A 3 6.634 -0.783 -4.411 1.00 14.13 C ATOM 33 O THR A 3 7.845 -0.733 -4.625 1.00 10.33 O ATOM 34 CB THR A 3 5.379 -0.230 -6.496 1.00 34.45 C ATOM 35 OG1 THR A 3 4.704 0.863 -5.863 1.00 43.23 O ATOM 36 CG2 THR A 3 4.524 -0.771 -7.632 1.00 41.22 C ATOM 0 H THR A 3 3.600 -1.387 -5.186 1.00 45.30 H new ATOM 0 HA THR A 3 6.146 -2.177 -5.969 1.00 35.34 H new ATOM 0 HB THR A 3 6.326 0.118 -6.909 1.00 34.45 H new ATOM 0 HG1 THR A 3 4.519 1.561 -6.526 1.00 43.23 H new ATOM 0 HG21 THR A 3 4.326 0.025 -8.349 1.00 41.22 H new ATOM 0 HG22 THR A 3 5.052 -1.584 -8.130 1.00 41.22 H new ATOM 0 HG23 THR A 3 3.580 -1.143 -7.232 1.00 41.22 H new ATOM 44 N ASP A 4 6.082 -0.372 -3.274 1.00 42.22 N ATOM 45 CA ASP A 4 6.887 0.174 -2.187 1.00 70.33 C ATOM 46 C ASP A 4 7.915 -0.846 -1.708 1.00 22.13 C ATOM 47 O ASP A 4 8.917 -0.487 -1.088 1.00 31.42 O ATOM 48 CB ASP A 4 5.990 0.598 -1.023 1.00 41.03 C ATOM 49 CG ASP A 4 5.364 1.962 -1.242 1.00 24.52 C ATOM 50 OD1 ASP A 4 6.066 2.863 -1.747 1.00 63.21 O ATOM 51 OD2 ASP A 4 4.173 2.127 -0.908 1.00 54.24 O ATOM 0 H ASP A 4 5.081 -0.407 -3.081 1.00 42.22 H new ATOM 0 HA ASP A 4 7.417 1.049 -2.564 1.00 70.33 H new ATOM 0 HB2 ASP A 4 5.202 -0.143 -0.887 1.00 41.03 H new ATOM 0 HB3 ASP A 4 6.575 0.613 -0.104 1.00 41.03 H new ATOM 56 N ILE A 5 7.660 -2.117 -1.998 1.00 31.41 N ATOM 57 CA ILE A 5 8.563 -3.188 -1.596 1.00 63.42 C ATOM 58 C ILE A 5 9.129 -3.915 -2.812 1.00 32.34 C ATOM 59 O ILE A 5 10.335 -4.148 -2.904 1.00 32.42 O ATOM 60 CB ILE A 5 7.857 -4.209 -0.685 1.00 15.14 C ATOM 61 CG1 ILE A 5 6.728 -3.532 0.096 1.00 22.24 C ATOM 62 CG2 ILE A 5 8.856 -4.851 0.266 1.00 14.45 C ATOM 63 CD1 ILE A 5 6.036 -4.452 1.078 1.00 65.21 C ATOM 0 H ILE A 5 6.835 -2.430 -2.510 1.00 31.41 H new ATOM 0 HA ILE A 5 9.378 -2.722 -1.042 1.00 63.42 H new ATOM 0 HB ILE A 5 7.424 -4.992 -1.308 1.00 15.14 H new ATOM 0 HG12 ILE A 5 7.133 -2.676 0.636 1.00 22.24 H new ATOM 0 HG13 ILE A 5 5.991 -3.145 -0.608 1.00 22.24 H new ATOM 0 HG21 ILE A 5 8.341 -5.570 0.903 1.00 14.45 H new ATOM 0 HG22 ILE A 5 9.628 -5.363 -0.308 1.00 14.45 H new ATOM 0 HG23 ILE A 5 9.315 -4.081 0.886 1.00 14.45 H new ATOM 0 HD11 ILE A 5 5.248 -3.905 1.595 1.00 65.21 H new ATOM 0 HD12 ILE A 5 5.601 -5.295 0.542 1.00 65.21 H new ATOM 0 HD13 ILE A 5 6.760 -4.819 1.805 1.00 65.21 H new ATOM 75 N LEU A 6 8.251 -4.270 -3.743 1.00 52.02 N ATOM 76 CA LEU A 6 8.662 -4.969 -4.956 1.00 22.24 C ATOM 77 C LEU A 6 8.859 -3.990 -6.109 1.00 33.33 C ATOM 78 O LEU A 6 8.744 -2.777 -5.933 1.00 21.42 O ATOM 79 CB LEU A 6 7.622 -6.023 -5.338 1.00 74.21 C ATOM 80 CG LEU A 6 7.971 -7.470 -4.987 1.00 1.20 C ATOM 81 CD1 LEU A 6 8.468 -7.566 -3.553 1.00 12.02 C ATOM 82 CD2 LEU A 6 6.767 -8.376 -5.198 1.00 52.21 C ATOM 0 H LEU A 6 7.250 -4.085 -3.682 1.00 52.02 H new ATOM 0 HA LEU A 6 9.613 -5.462 -4.757 1.00 22.24 H new ATOM 0 HB2 LEU A 6 6.681 -5.769 -4.850 1.00 74.21 H new ATOM 0 HB3 LEU A 6 7.451 -5.962 -6.413 1.00 74.21 H new ATOM 0 HG LEU A 6 8.770 -7.802 -5.650 1.00 1.20 H new ATOM 0 HD11 LEU A 6 8.712 -8.603 -3.321 1.00 12.02 H new ATOM 0 HD12 LEU A 6 9.359 -6.949 -3.434 1.00 12.02 H new ATOM 0 HD13 LEU A 6 7.691 -7.215 -2.874 1.00 12.02 H new ATOM 0 HD21 LEU A 6 7.034 -9.402 -4.943 1.00 52.21 H new ATOM 0 HD22 LEU A 6 5.947 -8.046 -4.560 1.00 52.21 H new ATOM 0 HD23 LEU A 6 6.456 -8.331 -6.242 1.00 52.21 H new ATOM 94 N SER A 7 9.153 -4.526 -7.289 1.00 42.31 N ATOM 95 CA SER A 7 9.367 -3.699 -8.471 1.00 61.44 C ATOM 96 C SER A 7 8.323 -4.002 -9.542 1.00 63.51 C ATOM 97 O SER A 7 8.116 -5.157 -9.913 1.00 34.44 O ATOM 98 CB SER A 7 10.772 -3.929 -9.033 1.00 14.12 C ATOM 99 OG SER A 7 11.637 -2.859 -8.694 1.00 23.42 O ATOM 0 H SER A 7 9.248 -5.528 -7.452 1.00 42.31 H new ATOM 0 HA SER A 7 9.268 -2.654 -8.176 1.00 61.44 H new ATOM 0 HB2 SER A 7 11.175 -4.864 -8.643 1.00 14.12 H new ATOM 0 HB3 SER A 7 10.722 -4.031 -10.117 1.00 14.12 H new ATOM 0 HG SER A 7 12.529 -3.030 -9.063 1.00 23.42 H new ATOM 105 N ALA A 8 7.669 -2.956 -10.035 1.00 44.21 N ATOM 106 CA ALA A 8 6.649 -3.108 -11.064 1.00 74.34 C ATOM 107 C ALA A 8 7.249 -3.654 -12.356 1.00 14.51 C ATOM 108 O ALA A 8 6.544 -4.230 -13.185 1.00 43.13 O ATOM 109 CB ALA A 8 5.956 -1.778 -11.322 1.00 61.31 C ATOM 0 H ALA A 8 7.828 -1.993 -9.738 1.00 44.21 H new ATOM 0 HA ALA A 8 5.911 -3.826 -10.705 1.00 74.34 H new ATOM 0 HB1 ALA A 8 5.197 -1.907 -12.093 1.00 61.31 H new ATOM 0 HB2 ALA A 8 5.485 -1.429 -10.403 1.00 61.31 H new ATOM 0 HB3 ALA A 8 6.690 -1.044 -11.655 1.00 61.31 H new ATOM 115 N LYS A 9 8.554 -3.467 -12.521 1.00 73.43 N ATOM 116 CA LYS A 9 9.250 -3.941 -13.712 1.00 12.32 C ATOM 117 C LYS A 9 9.742 -5.372 -13.521 1.00 42.23 C ATOM 118 O LYS A 9 10.194 -6.014 -14.469 1.00 65.13 O ATOM 119 CB LYS A 9 10.431 -3.023 -14.036 1.00 54.21 C ATOM 120 CG LYS A 9 10.696 -2.877 -15.524 1.00 45.53 C ATOM 121 CD LYS A 9 9.580 -2.114 -16.218 1.00 20.01 C ATOM 122 CE LYS A 9 10.095 -1.351 -17.429 1.00 12.13 C ATOM 123 NZ LYS A 9 10.063 -2.183 -18.663 1.00 52.24 N ATOM 0 H LYS A 9 9.151 -2.991 -11.845 1.00 73.43 H new ATOM 0 HA LYS A 9 8.546 -3.926 -14.544 1.00 12.32 H new ATOM 0 HB2 LYS A 9 10.242 -2.037 -13.611 1.00 54.21 H new ATOM 0 HB3 LYS A 9 11.327 -3.412 -13.552 1.00 54.21 H new ATOM 0 HG2 LYS A 9 11.642 -2.358 -15.677 1.00 45.53 H new ATOM 0 HG3 LYS A 9 10.798 -3.864 -15.975 1.00 45.53 H new ATOM 0 HD2 LYS A 9 8.801 -2.810 -16.530 1.00 20.01 H new ATOM 0 HD3 LYS A 9 9.123 -1.417 -15.515 1.00 20.01 H new ATOM 0 HE2 LYS A 9 9.491 -0.456 -17.578 1.00 12.13 H new ATOM 0 HE3 LYS A 9 11.116 -1.018 -17.242 1.00 12.13 H new ATOM 0 HZ1 LYS A 9 10.422 -1.627 -19.466 1.00 52.24 H new ATOM 0 HZ2 LYS A 9 10.660 -3.024 -18.530 1.00 52.24 H new ATOM 0 HZ3 LYS A 9 9.085 -2.479 -18.857 1.00 52.24 H new ATOM 137 N ASP A 10 9.650 -5.865 -12.291 1.00 72.55 N ATOM 138 CA ASP A 10 10.084 -7.222 -11.978 1.00 15.05 C ATOM 139 C ASP A 10 8.884 -8.139 -11.761 1.00 22.44 C ATOM 140 O ASP A 10 8.929 -9.325 -12.092 1.00 1.51 O ATOM 141 CB ASP A 10 10.972 -7.221 -10.733 1.00 3.22 C ATOM 142 CG ASP A 10 12.258 -6.444 -10.940 1.00 15.13 C ATOM 143 OD1 ASP A 10 12.540 -6.060 -12.094 1.00 53.23 O ATOM 144 OD2 ASP A 10 12.981 -6.219 -9.947 1.00 72.21 O ATOM 0 H ASP A 10 9.279 -5.346 -11.495 1.00 72.55 H new ATOM 0 HA ASP A 10 10.658 -7.598 -12.824 1.00 15.05 H new ATOM 0 HB2 ASP A 10 10.421 -6.790 -9.897 1.00 3.22 H new ATOM 0 HB3 ASP A 10 11.212 -8.249 -10.460 1.00 3.22 H new ATOM 149 N ILE A 11 7.814 -7.584 -11.202 1.00 3.03 N ATOM 150 CA ILE A 11 6.604 -8.352 -10.941 1.00 34.42 C ATOM 151 C ILE A 11 6.001 -8.886 -12.236 1.00 64.21 C ATOM 152 O ILE A 11 5.533 -10.023 -12.292 1.00 1.33 O ATOM 153 CB ILE A 11 5.547 -7.506 -10.207 1.00 53.11 C ATOM 154 CG1 ILE A 11 6.082 -7.047 -8.849 1.00 42.44 C ATOM 155 CG2 ILE A 11 4.260 -8.299 -10.034 1.00 52.22 C ATOM 156 CD1 ILE A 11 5.546 -5.702 -8.412 1.00 13.33 C ATOM 0 H ILE A 11 7.761 -6.605 -10.921 1.00 3.03 H new ATOM 0 HA ILE A 11 6.893 -9.189 -10.305 1.00 34.42 H new ATOM 0 HB ILE A 11 5.329 -6.623 -10.808 1.00 53.11 H new ATOM 0 HG12 ILE A 11 5.827 -7.793 -8.096 1.00 42.44 H new ATOM 0 HG13 ILE A 11 7.170 -6.998 -8.894 1.00 42.44 H new ATOM 0 HG21 ILE A 11 3.523 -7.687 -9.514 1.00 52.22 H new ATOM 0 HG22 ILE A 11 3.872 -8.581 -11.013 1.00 52.22 H new ATOM 0 HG23 ILE A 11 4.462 -9.198 -9.451 1.00 52.22 H new ATOM 0 HD11 ILE A 11 5.968 -5.440 -7.441 1.00 13.33 H new ATOM 0 HD12 ILE A 11 5.824 -4.944 -9.145 1.00 13.33 H new ATOM 0 HD13 ILE A 11 4.460 -5.751 -8.335 1.00 13.33 H new ATOM 168 N GLU A 12 6.019 -8.058 -13.276 1.00 20.01 N ATOM 169 CA GLU A 12 5.475 -8.448 -14.571 1.00 62.04 C ATOM 170 C GLU A 12 6.342 -9.521 -15.224 1.00 75.34 C ATOM 171 O GLU A 12 5.871 -10.287 -16.065 1.00 70.32 O ATOM 172 CB GLU A 12 5.371 -7.231 -15.493 1.00 11.01 C ATOM 173 CG GLU A 12 4.060 -6.475 -15.357 1.00 74.54 C ATOM 174 CD GLU A 12 4.156 -5.046 -15.853 1.00 3.54 C ATOM 175 OE1 GLU A 12 5.284 -4.514 -15.916 1.00 43.02 O ATOM 176 OE2 GLU A 12 3.103 -4.458 -16.177 1.00 72.30 O ATOM 0 H GLU A 12 6.404 -7.114 -13.247 1.00 20.01 H new ATOM 0 HA GLU A 12 4.478 -8.859 -14.409 1.00 62.04 H new ATOM 0 HB2 GLU A 12 6.196 -6.552 -15.279 1.00 11.01 H new ATOM 0 HB3 GLU A 12 5.487 -7.558 -16.526 1.00 11.01 H new ATOM 0 HG2 GLU A 12 3.284 -6.998 -15.916 1.00 74.54 H new ATOM 0 HG3 GLU A 12 3.753 -6.473 -14.311 1.00 74.54 H new ATOM 183 N SER A 13 7.610 -9.569 -14.831 1.00 63.41 N ATOM 184 CA SER A 13 8.544 -10.545 -15.381 1.00 24.14 C ATOM 185 C SER A 13 8.475 -11.859 -14.608 1.00 12.21 C ATOM 186 O SER A 13 9.252 -12.780 -14.857 1.00 74.11 O ATOM 187 CB SER A 13 9.971 -9.994 -15.344 1.00 0.21 C ATOM 188 OG SER A 13 10.099 -8.854 -16.176 1.00 52.02 O ATOM 0 H SER A 13 8.015 -8.944 -14.134 1.00 63.41 H new ATOM 0 HA SER A 13 8.262 -10.737 -16.416 1.00 24.14 H new ATOM 0 HB2 SER A 13 10.237 -9.732 -14.320 1.00 0.21 H new ATOM 0 HB3 SER A 13 10.670 -10.765 -15.668 1.00 0.21 H new ATOM 0 HG SER A 13 10.152 -8.048 -15.621 1.00 52.02 H new ATOM 194 N ALA A 14 7.538 -11.936 -13.668 1.00 71.44 N ATOM 195 CA ALA A 14 7.364 -13.137 -12.860 1.00 4.21 C ATOM 196 C ALA A 14 5.912 -13.601 -12.872 1.00 21.51 C ATOM 197 O ALA A 14 5.562 -14.596 -12.235 1.00 3.13 O ATOM 198 CB ALA A 14 7.828 -12.884 -11.433 1.00 52.40 C ATOM 0 H ALA A 14 6.888 -11.181 -13.448 1.00 71.44 H new ATOM 0 HA ALA A 14 7.974 -13.929 -13.294 1.00 4.21 H new ATOM 0 HB1 ALA A 14 7.693 -13.789 -10.841 1.00 52.40 H new ATOM 0 HB2 ALA A 14 8.882 -12.607 -11.437 1.00 52.40 H new ATOM 0 HB3 ALA A 14 7.242 -12.074 -10.998 1.00 52.40 H new ATOM 204 N LEU A 15 5.070 -12.876 -13.599 1.00 72.24 N ATOM 205 CA LEU A 15 3.654 -13.214 -13.694 1.00 12.12 C ATOM 206 C LEU A 15 3.415 -14.263 -14.775 1.00 22.53 C ATOM 207 O LEU A 15 3.052 -15.402 -14.479 1.00 55.31 O ATOM 208 CB LEU A 15 2.829 -11.961 -13.993 1.00 2.30 C ATOM 209 CG LEU A 15 2.298 -11.201 -12.777 1.00 44.51 C ATOM 210 CD1 LEU A 15 1.963 -9.765 -13.150 1.00 1.22 C ATOM 211 CD2 LEU A 15 1.078 -11.903 -12.200 1.00 53.33 C ATOM 0 H LEU A 15 5.343 -12.050 -14.132 1.00 72.24 H new ATOM 0 HA LEU A 15 3.340 -13.628 -12.736 1.00 12.12 H new ATOM 0 HB2 LEU A 15 3.441 -11.279 -14.583 1.00 2.30 H new ATOM 0 HB3 LEU A 15 1.982 -12.248 -14.615 1.00 2.30 H new ATOM 0 HG LEU A 15 3.077 -11.184 -12.014 1.00 44.51 H new ATOM 0 HD11 LEU A 15 1.587 -9.239 -12.272 1.00 1.22 H new ATOM 0 HD12 LEU A 15 2.860 -9.265 -13.515 1.00 1.22 H new ATOM 0 HD13 LEU A 15 1.202 -9.760 -13.930 1.00 1.22 H new ATOM 0 HD21 LEU A 15 0.714 -11.348 -11.335 1.00 53.33 H new ATOM 0 HD22 LEU A 15 0.295 -11.952 -12.956 1.00 53.33 H new ATOM 0 HD23 LEU A 15 1.350 -12.913 -11.894 1.00 53.33 H new ATOM 223 N SER A 16 3.624 -13.873 -16.028 1.00 25.11 N ATOM 224 CA SER A 16 3.431 -14.780 -17.153 1.00 53.34 C ATOM 225 C SER A 16 4.766 -15.333 -17.641 1.00 61.14 C ATOM 226 O SER A 16 4.981 -15.497 -18.842 1.00 42.33 O ATOM 227 CB SER A 16 2.715 -14.060 -18.298 1.00 42.21 C ATOM 228 OG SER A 16 1.850 -14.941 -18.993 1.00 12.00 O ATOM 0 H SER A 16 3.927 -12.935 -16.290 1.00 25.11 H new ATOM 0 HA SER A 16 2.815 -15.613 -16.815 1.00 53.34 H new ATOM 0 HB2 SER A 16 2.143 -13.221 -17.903 1.00 42.21 H new ATOM 0 HB3 SER A 16 3.450 -13.647 -18.989 1.00 42.21 H new ATOM 0 HG SER A 16 1.404 -14.456 -19.718 1.00 12.00 H new ATOM 234 N SER A 17 5.660 -15.620 -16.700 1.00 41.54 N ATOM 235 CA SER A 17 6.977 -16.151 -17.033 1.00 74.02 C ATOM 236 C SER A 17 7.073 -17.630 -16.671 1.00 12.13 C ATOM 237 O SER A 17 8.022 -18.314 -17.056 1.00 74.20 O ATOM 238 CB SER A 17 8.067 -15.364 -16.304 1.00 40.41 C ATOM 239 OG SER A 17 8.218 -14.068 -16.858 1.00 75.13 O ATOM 0 H SER A 17 5.496 -15.494 -15.701 1.00 41.54 H new ATOM 0 HA SER A 17 7.122 -16.047 -18.108 1.00 74.02 H new ATOM 0 HB2 SER A 17 7.816 -15.284 -15.246 1.00 40.41 H new ATOM 0 HB3 SER A 17 9.013 -15.902 -16.367 1.00 40.41 H new ATOM 0 HG SER A 17 8.932 -13.591 -16.385 1.00 75.13 H new ATOM 245 N CYS A 18 6.085 -18.116 -15.928 1.00 13.21 N ATOM 246 CA CYS A 18 6.057 -19.514 -15.512 1.00 10.53 C ATOM 247 C CYS A 18 4.752 -20.181 -15.935 1.00 4.15 C ATOM 248 O CYS A 18 4.228 -21.042 -15.229 1.00 10.14 O ATOM 249 CB CYS A 18 6.230 -19.619 -13.996 1.00 23.41 C ATOM 250 SG CYS A 18 7.618 -18.662 -13.343 1.00 24.40 S ATOM 0 H CYS A 18 5.293 -17.563 -15.601 1.00 13.21 H new ATOM 0 HA CYS A 18 6.883 -20.030 -16.001 1.00 10.53 H new ATOM 0 HB2 CYS A 18 5.312 -19.284 -13.512 1.00 23.41 H new ATOM 0 HB3 CYS A 18 6.367 -20.667 -13.729 1.00 23.41 H new ATOM 0 HG CYS A 18 8.725 -19.316 -13.536 1.00 24.40 H new ATOM 256 N GLN A 19 4.234 -19.776 -17.089 1.00 72.14 N ATOM 257 CA GLN A 19 2.989 -20.334 -17.604 1.00 51.24 C ATOM 258 C GLN A 19 3.244 -21.178 -18.849 1.00 22.25 C ATOM 259 O GLN A 19 2.338 -21.413 -19.648 1.00 24.24 O ATOM 260 CB GLN A 19 1.999 -19.213 -17.928 1.00 61.43 C ATOM 261 CG GLN A 19 2.625 -18.044 -18.671 1.00 63.44 C ATOM 262 CD GLN A 19 3.134 -18.432 -20.046 1.00 4.33 C ATOM 263 OE1 GLN A 19 2.377 -18.918 -20.887 1.00 4.53 O ATOM 264 NE2 GLN A 19 4.424 -18.218 -20.282 1.00 34.23 N ATOM 0 H GLN A 19 4.656 -19.064 -17.685 1.00 72.14 H new ATOM 0 HA GLN A 19 2.562 -20.976 -16.833 1.00 51.24 H new ATOM 0 HB2 GLN A 19 1.185 -19.620 -18.528 1.00 61.43 H new ATOM 0 HB3 GLN A 19 1.559 -18.849 -17.000 1.00 61.43 H new ATOM 0 HG2 GLN A 19 1.889 -17.246 -18.772 1.00 63.44 H new ATOM 0 HG3 GLN A 19 3.450 -17.644 -18.082 1.00 63.44 H new ATOM 0 HE21 GLN A 19 5.015 -17.813 -19.556 1.00 34.23 H new ATOM 0 HE22 GLN A 19 4.823 -18.459 -21.189 1.00 34.23 H new ATOM 273 N ALA A 20 4.484 -21.631 -19.006 1.00 33.30 N ATOM 274 CA ALA A 20 4.858 -22.451 -20.152 1.00 14.21 C ATOM 275 C ALA A 20 5.894 -23.499 -19.762 1.00 63.11 C ATOM 276 O ALA A 20 6.165 -23.708 -18.580 1.00 61.41 O ATOM 277 CB ALA A 20 5.388 -21.574 -21.277 1.00 74.41 C ATOM 0 H ALA A 20 5.246 -21.444 -18.354 1.00 33.30 H new ATOM 0 HA ALA A 20 3.967 -22.972 -20.502 1.00 14.21 H new ATOM 0 HB1 ALA A 20 5.664 -22.199 -22.126 1.00 74.41 H new ATOM 0 HB2 ALA A 20 4.616 -20.867 -21.582 1.00 74.41 H new ATOM 0 HB3 ALA A 20 6.264 -21.027 -20.930 1.00 74.41 H new ATOM 283 N ALA A 21 6.471 -24.156 -20.764 1.00 14.53 N ATOM 284 CA ALA A 21 7.478 -25.181 -20.525 1.00 65.21 C ATOM 285 C ALA A 21 8.886 -24.610 -20.661 1.00 12.14 C ATOM 286 O ALA A 21 9.822 -25.080 -20.013 1.00 53.31 O ATOM 287 CB ALA A 21 7.285 -26.345 -21.486 1.00 34.24 C ATOM 0 H ALA A 21 6.257 -23.996 -21.748 1.00 14.53 H new ATOM 0 HA ALA A 21 7.357 -25.542 -19.504 1.00 65.21 H new ATOM 0 HB1 ALA A 21 8.044 -27.103 -21.296 1.00 34.24 H new ATOM 0 HB2 ALA A 21 6.295 -26.778 -21.339 1.00 34.24 H new ATOM 0 HB3 ALA A 21 7.377 -25.989 -22.512 1.00 34.24 H new ATOM 293 N ASP A 22 9.028 -23.595 -21.506 1.00 24.11 N ATOM 294 CA ASP A 22 10.322 -22.959 -21.726 1.00 23.40 C ATOM 295 C ASP A 22 10.294 -21.501 -21.278 1.00 65.34 C ATOM 296 O ASP A 22 11.194 -20.725 -21.601 1.00 20.31 O ATOM 297 CB ASP A 22 10.712 -23.045 -23.202 1.00 62.34 C ATOM 298 CG ASP A 22 12.208 -22.923 -23.414 1.00 43.12 C ATOM 299 OD1 ASP A 22 12.939 -23.862 -23.036 1.00 4.44 O ATOM 300 OD2 ASP A 22 12.648 -21.888 -23.958 1.00 23.02 O ATOM 0 H ASP A 22 8.263 -23.195 -22.050 1.00 24.11 H new ATOM 0 HA ASP A 22 11.066 -23.489 -21.131 1.00 23.40 H new ATOM 0 HB2 ASP A 22 10.366 -23.994 -23.611 1.00 62.34 H new ATOM 0 HB3 ASP A 22 10.204 -22.255 -23.756 1.00 62.34 H new ATOM 305 N SER A 23 9.255 -21.136 -20.535 1.00 3.53 N ATOM 306 CA SER A 23 9.107 -19.769 -20.047 1.00 25.30 C ATOM 307 C SER A 23 9.867 -19.574 -18.738 1.00 64.45 C ATOM 308 O SER A 23 10.354 -18.482 -18.447 1.00 10.35 O ATOM 309 CB SER A 23 7.628 -19.434 -19.846 1.00 23.44 C ATOM 310 OG SER A 23 7.450 -18.056 -19.570 1.00 45.20 O ATOM 0 H SER A 23 8.503 -21.767 -20.257 1.00 3.53 H new ATOM 0 HA SER A 23 9.526 -19.095 -20.794 1.00 25.30 H new ATOM 0 HB2 SER A 23 7.066 -19.705 -20.740 1.00 23.44 H new ATOM 0 HB3 SER A 23 7.226 -20.027 -19.025 1.00 23.44 H new ATOM 0 HG SER A 23 8.190 -17.736 -19.012 1.00 45.20 H new ATOM 316 N PHE A 24 9.965 -20.642 -17.954 1.00 21.33 N ATOM 317 CA PHE A 24 10.665 -20.590 -16.675 1.00 74.12 C ATOM 318 C PHE A 24 12.114 -21.042 -16.829 1.00 71.23 C ATOM 319 O PHE A 24 12.457 -22.180 -16.512 1.00 61.11 O ATOM 320 CB PHE A 24 9.952 -21.467 -15.644 1.00 30.04 C ATOM 321 CG PHE A 24 10.659 -21.531 -14.320 1.00 64.12 C ATOM 322 CD1 PHE A 24 11.122 -20.376 -13.710 1.00 74.12 C ATOM 323 CD2 PHE A 24 10.862 -22.746 -13.686 1.00 32.20 C ATOM 324 CE1 PHE A 24 11.774 -20.432 -12.493 1.00 34.51 C ATOM 325 CE2 PHE A 24 11.513 -22.809 -12.468 1.00 52.22 C ATOM 326 CZ PHE A 24 11.968 -21.650 -11.871 1.00 23.15 C ATOM 0 H PHE A 24 9.569 -21.554 -18.181 1.00 21.33 H new ATOM 0 HA PHE A 24 10.661 -19.557 -16.328 1.00 74.12 H new ATOM 0 HB2 PHE A 24 8.943 -21.085 -15.490 1.00 30.04 H new ATOM 0 HB3 PHE A 24 9.853 -22.476 -16.043 1.00 30.04 H new ATOM 0 HD1 PHE A 24 10.971 -19.421 -14.191 1.00 74.12 H new ATOM 0 HD2 PHE A 24 10.507 -23.655 -14.149 1.00 32.20 H new ATOM 0 HE1 PHE A 24 12.131 -19.525 -12.029 1.00 34.51 H new ATOM 0 HE2 PHE A 24 11.665 -23.763 -11.984 1.00 52.22 H new ATOM 0 HZ PHE A 24 12.475 -21.696 -10.919 1.00 23.15 H new ATOM 336 N ASN A 25 12.959 -20.142 -17.319 1.00 45.55 N ATOM 337 CA ASN A 25 14.372 -20.447 -17.517 1.00 73.23 C ATOM 338 C ASN A 25 15.195 -20.022 -16.305 1.00 43.15 C ATOM 339 O ASN A 25 14.673 -19.417 -15.368 1.00 65.34 O ATOM 340 CB ASN A 25 14.895 -19.749 -18.774 1.00 51.21 C ATOM 341 CG ASN A 25 16.062 -20.486 -19.402 1.00 31.21 C ATOM 342 OD1 ASN A 25 16.126 -21.715 -19.365 1.00 70.15 O ATOM 343 ND2 ASN A 25 16.992 -19.737 -19.982 1.00 2.33 N ATOM 0 H ASN A 25 12.691 -19.195 -17.587 1.00 45.55 H new ATOM 0 HA ASN A 25 14.471 -21.525 -17.641 1.00 73.23 H new ATOM 0 HB2 ASN A 25 14.088 -19.665 -19.502 1.00 51.21 H new ATOM 0 HB3 ASN A 25 15.203 -18.735 -18.521 1.00 51.21 H new ATOM 0 HD21 ASN A 25 17.801 -20.177 -20.421 1.00 2.33 H new ATOM 0 HD22 ASN A 25 16.898 -18.721 -19.989 1.00 2.33 H new ATOM 350 N TYR A 26 16.484 -20.341 -16.332 1.00 23.43 N ATOM 351 CA TYR A 26 17.380 -19.994 -15.235 1.00 22.30 C ATOM 352 C TYR A 26 17.503 -18.481 -15.090 1.00 41.51 C ATOM 353 O TYR A 26 17.718 -17.965 -13.993 1.00 11.20 O ATOM 354 CB TYR A 26 18.762 -20.610 -15.463 1.00 52.20 C ATOM 355 CG TYR A 26 19.364 -20.265 -16.806 1.00 61.14 C ATOM 356 CD1 TYR A 26 19.999 -19.047 -17.013 1.00 41.13 C ATOM 357 CD2 TYR A 26 19.299 -21.159 -17.869 1.00 12.54 C ATOM 358 CE1 TYR A 26 20.550 -18.728 -18.239 1.00 51.43 C ATOM 359 CE2 TYR A 26 19.848 -20.848 -19.098 1.00 21.43 C ATOM 360 CZ TYR A 26 20.472 -19.632 -19.278 1.00 41.42 C ATOM 361 OH TYR A 26 21.021 -19.318 -20.500 1.00 51.15 O ATOM 0 H TYR A 26 16.932 -20.839 -17.101 1.00 23.43 H new ATOM 0 HA TYR A 26 16.958 -20.396 -14.314 1.00 22.30 H new ATOM 0 HB2 TYR A 26 19.435 -20.273 -14.675 1.00 52.20 H new ATOM 0 HB3 TYR A 26 18.686 -21.694 -15.376 1.00 52.20 H new ATOM 0 HD1 TYR A 26 20.063 -18.337 -16.202 1.00 41.13 H new ATOM 0 HD2 TYR A 26 18.811 -22.113 -17.732 1.00 12.54 H new ATOM 0 HE1 TYR A 26 21.039 -17.776 -18.383 1.00 51.43 H new ATOM 0 HE2 TYR A 26 19.789 -21.554 -19.913 1.00 21.43 H new ATOM 0 HH TYR A 26 20.881 -20.062 -21.122 1.00 51.15 H new ATOM 371 N LYS A 27 17.365 -17.773 -16.206 1.00 54.12 N ATOM 372 CA LYS A 27 17.458 -16.318 -16.207 1.00 15.24 C ATOM 373 C LYS A 27 16.254 -15.696 -15.506 1.00 0.50 C ATOM 374 O LYS A 27 16.402 -14.791 -14.684 1.00 35.31 O ATOM 375 CB LYS A 27 17.554 -15.793 -17.641 1.00 13.21 C ATOM 376 CG LYS A 27 18.969 -15.440 -18.066 1.00 33.21 C ATOM 377 CD LYS A 27 19.341 -14.027 -17.648 1.00 74.32 C ATOM 378 CE LYS A 27 20.015 -14.008 -16.285 1.00 30.50 C ATOM 379 NZ LYS A 27 20.811 -12.767 -16.077 1.00 72.10 N ATOM 0 H LYS A 27 17.188 -18.184 -17.123 1.00 54.12 H new ATOM 0 HA LYS A 27 18.359 -16.036 -15.663 1.00 15.24 H new ATOM 0 HB2 LYS A 27 17.156 -16.545 -18.322 1.00 13.21 H new ATOM 0 HB3 LYS A 27 16.923 -14.909 -17.739 1.00 13.21 H new ATOM 0 HG2 LYS A 27 19.670 -16.148 -17.623 1.00 33.21 H new ATOM 0 HG3 LYS A 27 19.060 -15.536 -19.148 1.00 33.21 H new ATOM 0 HD2 LYS A 27 20.008 -13.590 -18.391 1.00 74.32 H new ATOM 0 HD3 LYS A 27 18.445 -13.407 -17.621 1.00 74.32 H new ATOM 0 HE2 LYS A 27 19.258 -14.089 -15.505 1.00 30.50 H new ATOM 0 HE3 LYS A 27 20.666 -14.877 -16.190 1.00 30.50 H new ATOM 0 HZ1 LYS A 27 21.254 -12.793 -15.137 1.00 72.10 H new ATOM 0 HZ2 LYS A 27 21.550 -12.702 -16.806 1.00 72.10 H new ATOM 0 HZ3 LYS A 27 20.186 -11.938 -16.143 1.00 72.10 H new ATOM 393 N SER A 28 15.064 -16.187 -15.836 1.00 13.33 N ATOM 394 CA SER A 28 13.835 -15.677 -15.239 1.00 55.24 C ATOM 395 C SER A 28 13.913 -15.716 -13.716 1.00 75.53 C ATOM 396 O SER A 28 13.349 -14.862 -13.032 1.00 34.42 O ATOM 397 CB SER A 28 12.633 -16.492 -15.721 1.00 53.23 C ATOM 398 OG SER A 28 12.070 -15.927 -16.893 1.00 11.45 O ATOM 0 H SER A 28 14.925 -16.937 -16.513 1.00 13.33 H new ATOM 0 HA SER A 28 13.711 -14.640 -15.552 1.00 55.24 H new ATOM 0 HB2 SER A 28 12.942 -17.518 -15.920 1.00 53.23 H new ATOM 0 HB3 SER A 28 11.879 -16.533 -14.935 1.00 53.23 H new ATOM 0 HG SER A 28 11.305 -16.467 -17.182 1.00 11.45 H new ATOM 404 N PHE A 29 14.616 -16.715 -13.192 1.00 13.21 N ATOM 405 CA PHE A 29 14.768 -16.868 -11.750 1.00 13.13 C ATOM 406 C PHE A 29 15.847 -15.932 -11.214 1.00 50.41 C ATOM 407 O PHE A 29 15.834 -15.557 -10.041 1.00 73.33 O ATOM 408 CB PHE A 29 15.116 -18.317 -11.403 1.00 51.03 C ATOM 409 CG PHE A 29 15.057 -18.612 -9.932 1.00 30.32 C ATOM 410 CD1 PHE A 29 16.105 -18.258 -9.098 1.00 42.30 C ATOM 411 CD2 PHE A 29 13.953 -19.245 -9.382 1.00 44.04 C ATOM 412 CE1 PHE A 29 16.054 -18.528 -7.743 1.00 41.34 C ATOM 413 CE2 PHE A 29 13.896 -19.517 -8.029 1.00 24.04 C ATOM 414 CZ PHE A 29 14.949 -19.159 -7.208 1.00 75.12 C ATOM 0 H PHE A 29 15.089 -17.430 -13.744 1.00 13.21 H new ATOM 0 HA PHE A 29 13.819 -16.607 -11.281 1.00 13.13 H new ATOM 0 HB2 PHE A 29 14.430 -18.982 -11.927 1.00 51.03 H new ATOM 0 HB3 PHE A 29 16.118 -18.539 -11.770 1.00 51.03 H new ATOM 0 HD1 PHE A 29 16.972 -17.765 -9.511 1.00 42.30 H new ATOM 0 HD2 PHE A 29 13.128 -19.529 -10.019 1.00 44.04 H new ATOM 0 HE1 PHE A 29 16.878 -18.246 -7.104 1.00 41.34 H new ATOM 0 HE2 PHE A 29 13.029 -20.009 -7.613 1.00 24.04 H new ATOM 0 HZ PHE A 29 14.907 -19.373 -6.150 1.00 75.12 H new ATOM 424 N PHE A 30 16.781 -15.558 -12.082 1.00 2.40 N ATOM 425 CA PHE A 30 17.869 -14.666 -11.697 1.00 64.51 C ATOM 426 C PHE A 30 17.380 -13.225 -11.589 1.00 71.32 C ATOM 427 O PHE A 30 17.930 -12.426 -10.831 1.00 64.54 O ATOM 428 CB PHE A 30 19.012 -14.754 -12.711 1.00 72.42 C ATOM 429 CG PHE A 30 19.911 -15.938 -12.500 1.00 24.53 C ATOM 430 CD1 PHE A 30 20.378 -16.253 -11.234 1.00 23.04 C ATOM 431 CD2 PHE A 30 20.290 -16.737 -13.567 1.00 34.33 C ATOM 432 CE1 PHE A 30 21.207 -17.342 -11.036 1.00 53.45 C ATOM 433 CE2 PHE A 30 21.118 -17.827 -13.376 1.00 35.54 C ATOM 434 CZ PHE A 30 21.576 -18.130 -12.109 1.00 32.55 C ATOM 0 H PHE A 30 16.807 -15.858 -13.056 1.00 2.40 H new ATOM 0 HA PHE A 30 18.234 -14.981 -10.719 1.00 64.51 H new ATOM 0 HB2 PHE A 30 18.593 -14.801 -13.716 1.00 72.42 H new ATOM 0 HB3 PHE A 30 19.607 -13.842 -12.656 1.00 72.42 H new ATOM 0 HD1 PHE A 30 20.091 -15.641 -10.392 1.00 23.04 H new ATOM 0 HD2 PHE A 30 19.934 -16.505 -14.560 1.00 34.33 H new ATOM 0 HE1 PHE A 30 21.565 -17.576 -10.044 1.00 53.45 H new ATOM 0 HE2 PHE A 30 21.406 -18.441 -14.216 1.00 35.54 H new ATOM 0 HZ PHE A 30 22.222 -18.982 -11.957 1.00 32.55 H new ATOM 444 N SER A 31 16.342 -12.900 -12.353 1.00 61.34 N ATOM 445 CA SER A 31 15.780 -11.555 -12.348 1.00 2.32 C ATOM 446 C SER A 31 14.278 -11.594 -12.085 1.00 30.34 C ATOM 447 O SER A 31 13.523 -10.766 -12.595 1.00 45.32 O ATOM 448 CB SER A 31 16.058 -10.858 -13.681 1.00 54.13 C ATOM 449 OG SER A 31 15.762 -9.474 -13.605 1.00 21.13 O ATOM 0 H SER A 31 15.873 -13.550 -12.984 1.00 61.34 H new ATOM 0 HA SER A 31 16.257 -10.992 -11.546 1.00 2.32 H new ATOM 0 HB2 SER A 31 17.104 -10.995 -13.955 1.00 54.13 H new ATOM 0 HB3 SER A 31 15.460 -11.318 -14.467 1.00 54.13 H new ATOM 0 HG SER A 31 14.860 -9.352 -13.241 1.00 21.13 H new ATOM 455 N THR A 32 13.849 -12.565 -11.283 1.00 43.41 N ATOM 456 CA THR A 32 12.438 -12.715 -10.952 1.00 10.31 C ATOM 457 C THR A 32 11.887 -11.449 -10.305 1.00 43.23 C ATOM 458 O THR A 32 12.587 -10.443 -10.192 1.00 5.44 O ATOM 459 CB THR A 32 12.207 -13.905 -10.002 1.00 5.14 C ATOM 460 OG1 THR A 32 13.423 -14.644 -9.838 1.00 2.53 O ATOM 461 CG2 THR A 32 11.119 -14.822 -10.538 1.00 30.53 C ATOM 0 H THR A 32 14.459 -13.259 -10.851 1.00 43.41 H new ATOM 0 HA THR A 32 11.912 -12.900 -11.889 1.00 10.31 H new ATOM 0 HB THR A 32 11.887 -13.514 -9.036 1.00 5.14 H new ATOM 0 HG1 THR A 32 13.268 -15.398 -9.232 1.00 2.53 H new ATOM 0 HG21 THR A 32 10.974 -15.655 -9.850 1.00 30.53 H new ATOM 0 HG22 THR A 32 10.188 -14.264 -10.634 1.00 30.53 H new ATOM 0 HG23 THR A 32 11.415 -15.205 -11.515 1.00 30.53 H new ATOM 469 N VAL A 33 10.628 -11.505 -9.882 1.00 65.50 N ATOM 470 CA VAL A 33 9.984 -10.363 -9.245 1.00 21.44 C ATOM 471 C VAL A 33 10.844 -9.807 -8.115 1.00 72.12 C ATOM 472 O VAL A 33 10.818 -8.610 -7.833 1.00 51.00 O ATOM 473 CB VAL A 33 8.600 -10.741 -8.684 1.00 2.24 C ATOM 474 CG1 VAL A 33 8.695 -11.995 -7.828 1.00 54.01 C ATOM 475 CG2 VAL A 33 8.016 -9.585 -7.886 1.00 54.45 C ATOM 0 H VAL A 33 10.034 -12.330 -9.969 1.00 65.50 H new ATOM 0 HA VAL A 33 9.861 -9.599 -10.013 1.00 21.44 H new ATOM 0 HB VAL A 33 7.933 -10.950 -9.520 1.00 2.24 H new ATOM 0 HG11 VAL A 33 7.708 -12.247 -7.440 1.00 54.01 H new ATOM 0 HG12 VAL A 33 9.069 -12.821 -8.433 1.00 54.01 H new ATOM 0 HG13 VAL A 33 9.377 -11.817 -6.996 1.00 54.01 H new ATOM 0 HG21 VAL A 33 7.038 -9.869 -7.497 1.00 54.45 H new ATOM 0 HG22 VAL A 33 8.680 -9.343 -7.056 1.00 54.45 H new ATOM 0 HG23 VAL A 33 7.910 -8.714 -8.532 1.00 54.45 H new ATOM 485 N GLY A 34 11.607 -10.686 -7.471 1.00 55.33 N ATOM 486 CA GLY A 34 12.464 -10.264 -6.380 1.00 4.44 C ATOM 487 C GLY A 34 11.906 -10.645 -5.023 1.00 1.41 C ATOM 488 O GLY A 34 12.499 -10.333 -3.989 1.00 51.52 O ATOM 0 H GLY A 34 11.646 -11.682 -7.686 1.00 55.33 H new ATOM 0 HA2 GLY A 34 13.450 -10.712 -6.503 1.00 4.44 H new ATOM 0 HA3 GLY A 34 12.597 -9.183 -6.424 1.00 4.44 H new ATOM 492 N LEU A 35 10.762 -11.320 -5.024 1.00 50.42 N ATOM 493 CA LEU A 35 10.122 -11.743 -3.783 1.00 52.35 C ATOM 494 C LEU A 35 10.749 -13.030 -3.258 1.00 62.04 C ATOM 495 O LEU A 35 10.998 -13.167 -2.061 1.00 23.52 O ATOM 496 CB LEU A 35 8.622 -11.946 -4.004 1.00 52.10 C ATOM 497 CG LEU A 35 7.701 -11.362 -2.932 1.00 74.13 C ATOM 498 CD1 LEU A 35 6.289 -11.906 -3.087 1.00 61.45 C ATOM 499 CD2 LEU A 35 8.241 -11.665 -1.542 1.00 51.42 C ATOM 0 H LEU A 35 10.258 -11.586 -5.870 1.00 50.42 H new ATOM 0 HA LEU A 35 10.271 -10.959 -3.040 1.00 52.35 H new ATOM 0 HB2 LEU A 35 8.354 -11.506 -4.964 1.00 52.10 H new ATOM 0 HB3 LEU A 35 8.427 -13.016 -4.078 1.00 52.10 H new ATOM 0 HG LEU A 35 7.668 -10.280 -3.059 1.00 74.13 H new ATOM 0 HD11 LEU A 35 5.648 -11.479 -2.316 1.00 61.45 H new ATOM 0 HD12 LEU A 35 5.902 -11.638 -4.070 1.00 61.45 H new ATOM 0 HD13 LEU A 35 6.304 -12.991 -2.987 1.00 61.45 H new ATOM 0 HD21 LEU A 35 7.573 -11.242 -0.792 1.00 51.42 H new ATOM 0 HD22 LEU A 35 8.305 -12.744 -1.404 1.00 51.42 H new ATOM 0 HD23 LEU A 35 9.233 -11.226 -1.433 1.00 51.42 H new ATOM 511 N SER A 36 11.004 -13.970 -4.163 1.00 41.11 N ATOM 512 CA SER A 36 11.601 -15.247 -3.791 1.00 64.11 C ATOM 513 C SER A 36 13.042 -15.058 -3.325 1.00 13.02 C ATOM 514 O SER A 36 13.646 -15.967 -2.756 1.00 11.13 O ATOM 515 CB SER A 36 11.559 -16.217 -4.973 1.00 62.42 C ATOM 516 OG SER A 36 10.465 -15.934 -5.827 1.00 55.31 O ATOM 0 H SER A 36 10.806 -13.871 -5.159 1.00 41.11 H new ATOM 0 HA SER A 36 11.022 -15.664 -2.967 1.00 64.11 H new ATOM 0 HB2 SER A 36 12.490 -16.150 -5.536 1.00 62.42 H new ATOM 0 HB3 SER A 36 11.482 -17.240 -4.605 1.00 62.42 H new ATOM 0 HG SER A 36 10.462 -16.567 -6.575 1.00 55.31 H new ATOM 522 N SER A 37 13.586 -13.870 -3.571 1.00 35.33 N ATOM 523 CA SER A 37 14.956 -13.562 -3.180 1.00 41.41 C ATOM 524 C SER A 37 14.988 -12.427 -2.160 1.00 71.33 C ATOM 525 O SER A 37 16.033 -11.822 -1.919 1.00 33.20 O ATOM 526 CB SER A 37 15.786 -13.182 -4.408 1.00 55.23 C ATOM 527 OG SER A 37 15.907 -14.276 -5.300 1.00 71.41 O ATOM 0 H SER A 37 13.099 -13.106 -4.039 1.00 35.33 H new ATOM 0 HA SER A 37 15.385 -14.452 -2.721 1.00 41.41 H new ATOM 0 HB2 SER A 37 15.319 -12.341 -4.920 1.00 55.23 H new ATOM 0 HB3 SER A 37 16.777 -12.854 -4.094 1.00 55.23 H new ATOM 0 HG SER A 37 16.440 -14.007 -6.077 1.00 71.41 H new ATOM 533 N LYS A 38 13.835 -12.144 -1.564 1.00 11.01 N ATOM 534 CA LYS A 38 13.728 -11.084 -0.569 1.00 11.24 C ATOM 535 C LYS A 38 14.116 -11.595 0.815 1.00 21.10 C ATOM 536 O LYS A 38 14.326 -12.793 1.010 1.00 51.02 O ATOM 537 CB LYS A 38 12.303 -10.528 -0.537 1.00 54.41 C ATOM 538 CG LYS A 38 12.125 -9.262 -1.358 1.00 3.34 C ATOM 539 CD LYS A 38 12.107 -8.024 -0.476 1.00 75.13 C ATOM 540 CE LYS A 38 12.227 -6.751 -1.300 1.00 63.22 C ATOM 541 NZ LYS A 38 12.171 -5.531 -0.448 1.00 24.41 N ATOM 0 H LYS A 38 12.961 -12.634 -1.753 1.00 11.01 H new ATOM 0 HA LYS A 38 14.417 -10.287 -0.849 1.00 11.24 H new ATOM 0 HB2 LYS A 38 11.616 -11.290 -0.906 1.00 54.41 H new ATOM 0 HB3 LYS A 38 12.025 -10.323 0.497 1.00 54.41 H new ATOM 0 HG2 LYS A 38 12.934 -9.181 -2.084 1.00 3.34 H new ATOM 0 HG3 LYS A 38 11.195 -9.321 -1.923 1.00 3.34 H new ATOM 0 HD2 LYS A 38 11.182 -8.000 0.100 1.00 75.13 H new ATOM 0 HD3 LYS A 38 12.927 -8.074 0.240 1.00 75.13 H new ATOM 0 HE2 LYS A 38 13.166 -6.764 -1.854 1.00 63.22 H new ATOM 0 HE3 LYS A 38 11.423 -6.717 -2.035 1.00 63.22 H new ATOM 0 HZ1 LYS A 38 11.803 -4.734 -1.006 1.00 24.41 H new ATOM 0 HZ2 LYS A 38 11.545 -5.703 0.364 1.00 24.41 H new ATOM 0 HZ3 LYS A 38 13.126 -5.302 -0.106 1.00 24.41 H new ATOM 555 N THR A 39 14.209 -10.680 1.775 1.00 51.12 N ATOM 556 CA THR A 39 14.571 -11.038 3.140 1.00 23.32 C ATOM 557 C THR A 39 13.358 -11.532 3.920 1.00 72.15 C ATOM 558 O THR A 39 12.213 -11.208 3.604 1.00 51.43 O ATOM 559 CB THR A 39 15.196 -9.845 3.887 1.00 0.13 C ATOM 560 OG1 THR A 39 16.481 -10.209 4.403 1.00 3.53 O ATOM 561 CG2 THR A 39 14.297 -9.389 5.027 1.00 50.14 C ATOM 0 H THR A 39 14.038 -9.685 1.632 1.00 51.12 H new ATOM 0 HA THR A 39 15.306 -11.840 3.071 1.00 23.32 H new ATOM 0 HB THR A 39 15.308 -9.021 3.182 1.00 0.13 H new ATOM 0 HG1 THR A 39 16.872 -9.445 4.875 1.00 3.53 H new ATOM 0 HG21 THR A 39 14.759 -8.546 5.540 1.00 50.14 H new ATOM 0 HG22 THR A 39 13.329 -9.085 4.628 1.00 50.14 H new ATOM 0 HG23 THR A 39 14.158 -10.209 5.731 1.00 50.14 H new ATOM 569 N PRO A 40 13.611 -12.335 4.963 1.00 33.54 N ATOM 570 CA PRO A 40 12.551 -12.890 5.810 1.00 33.25 C ATOM 571 C PRO A 40 11.877 -11.825 6.668 1.00 0.34 C ATOM 572 O PRO A 40 12.117 -11.741 7.873 1.00 45.41 O ATOM 573 CB PRO A 40 13.293 -13.897 6.693 1.00 35.11 C ATOM 574 CG PRO A 40 14.697 -13.402 6.735 1.00 12.42 C ATOM 575 CD PRO A 40 14.951 -12.764 5.397 1.00 1.34 C ATOM 0 HA PRO A 40 11.747 -13.330 5.220 1.00 33.25 H new ATOM 0 HB2 PRO A 40 12.859 -13.942 7.692 1.00 35.11 H new ATOM 0 HB3 PRO A 40 13.240 -14.903 6.277 1.00 35.11 H new ATOM 0 HG2 PRO A 40 14.833 -12.683 7.543 1.00 12.42 H new ATOM 0 HG3 PRO A 40 15.394 -14.220 6.916 1.00 12.42 H new ATOM 0 HD2 PRO A 40 15.636 -11.920 5.478 1.00 1.34 H new ATOM 0 HD3 PRO A 40 15.395 -13.469 4.694 1.00 1.34 H new ATOM 583 N ASP A 41 11.033 -11.013 6.041 1.00 73.51 N ATOM 584 CA ASP A 41 10.323 -9.954 6.748 1.00 53.23 C ATOM 585 C ASP A 41 9.409 -9.185 5.798 1.00 34.44 C ATOM 586 O ASP A 41 8.262 -8.887 6.132 1.00 21.30 O ATOM 587 CB ASP A 41 11.317 -8.996 7.406 1.00 53.53 C ATOM 588 CG ASP A 41 10.932 -8.651 8.831 1.00 21.42 C ATOM 589 OD1 ASP A 41 10.461 -9.555 9.554 1.00 62.03 O ATOM 590 OD2 ASP A 41 11.103 -7.479 9.225 1.00 52.23 O ATOM 0 H ASP A 41 10.824 -11.068 5.044 1.00 73.51 H new ATOM 0 HA ASP A 41 9.709 -10.415 7.521 1.00 53.23 H new ATOM 0 HB2 ASP A 41 12.310 -9.446 7.400 1.00 53.53 H new ATOM 0 HB3 ASP A 41 11.379 -8.081 6.818 1.00 53.53 H new ATOM 595 N GLN A 42 9.925 -8.867 4.616 1.00 71.43 N ATOM 596 CA GLN A 42 9.155 -8.132 3.619 1.00 1.14 C ATOM 597 C GLN A 42 8.136 -9.041 2.939 1.00 4.52 C ATOM 598 O GLN A 42 7.070 -8.589 2.521 1.00 34.34 O ATOM 599 CB GLN A 42 10.088 -7.519 2.574 1.00 62.24 C ATOM 600 CG GLN A 42 11.348 -6.909 3.166 1.00 43.14 C ATOM 601 CD GLN A 42 11.069 -6.081 4.404 1.00 3.15 C ATOM 602 OE1 GLN A 42 11.768 -6.195 5.412 1.00 42.02 O ATOM 603 NE2 GLN A 42 10.043 -5.241 4.337 1.00 44.44 N ATOM 0 H GLN A 42 10.873 -9.106 4.325 1.00 71.43 H new ATOM 0 HA GLN A 42 8.617 -7.332 4.129 1.00 1.14 H new ATOM 0 HB2 GLN A 42 10.370 -8.288 1.855 1.00 62.24 H new ATOM 0 HB3 GLN A 42 9.547 -6.750 2.022 1.00 62.24 H new ATOM 0 HG2 GLN A 42 12.049 -7.705 3.416 1.00 43.14 H new ATOM 0 HG3 GLN A 42 11.831 -6.283 2.416 1.00 43.14 H new ATOM 0 HE21 GLN A 42 9.490 -5.178 3.482 1.00 44.44 H new ATOM 0 HE22 GLN A 42 9.808 -4.658 5.140 1.00 44.44 H new ATOM 612 N ILE A 43 8.473 -10.321 2.831 1.00 33.42 N ATOM 613 CA ILE A 43 7.587 -11.293 2.202 1.00 15.13 C ATOM 614 C ILE A 43 6.207 -11.279 2.851 1.00 33.32 C ATOM 615 O ILE A 43 5.197 -11.055 2.184 1.00 15.42 O ATOM 616 CB ILE A 43 8.165 -12.718 2.283 1.00 44.21 C ATOM 617 CG1 ILE A 43 9.542 -12.771 1.618 1.00 5.22 C ATOM 618 CG2 ILE A 43 7.217 -13.712 1.630 1.00 63.42 C ATOM 619 CD1 ILE A 43 10.248 -14.097 1.795 1.00 3.12 C ATOM 0 H ILE A 43 9.353 -10.710 3.171 1.00 33.42 H new ATOM 0 HA ILE A 43 7.497 -11.006 1.154 1.00 15.13 H new ATOM 0 HB ILE A 43 8.278 -12.990 3.333 1.00 44.21 H new ATOM 0 HG12 ILE A 43 9.430 -12.567 0.553 1.00 5.22 H new ATOM 0 HG13 ILE A 43 10.166 -11.978 2.030 1.00 5.22 H new ATOM 0 HG21 ILE A 43 7.640 -14.715 1.695 1.00 63.42 H new ATOM 0 HG22 ILE A 43 6.256 -13.689 2.143 1.00 63.42 H new ATOM 0 HG23 ILE A 43 7.075 -13.446 0.583 1.00 63.42 H new ATOM 0 HD11 ILE A 43 11.217 -14.062 1.298 1.00 3.12 H new ATOM 0 HD12 ILE A 43 10.392 -14.294 2.857 1.00 3.12 H new ATOM 0 HD13 ILE A 43 9.644 -14.892 1.357 1.00 3.12 H new ATOM 631 N LYS A 44 6.171 -11.520 4.158 1.00 50.45 N ATOM 632 CA LYS A 44 4.916 -11.532 4.900 1.00 70.33 C ATOM 633 C LYS A 44 4.127 -10.250 4.656 1.00 1.45 C ATOM 634 O LYS A 44 2.898 -10.268 4.589 1.00 51.41 O ATOM 635 CB LYS A 44 5.186 -11.701 6.396 1.00 24.24 C ATOM 636 CG LYS A 44 6.322 -10.833 6.911 1.00 33.42 C ATOM 637 CD LYS A 44 6.371 -10.823 8.430 1.00 65.32 C ATOM 638 CE LYS A 44 6.518 -9.410 8.973 1.00 32.33 C ATOM 639 NZ LYS A 44 7.086 -9.402 10.350 1.00 43.53 N ATOM 0 H LYS A 44 6.997 -11.710 4.725 1.00 50.45 H new ATOM 0 HA LYS A 44 4.322 -12.375 4.547 1.00 70.33 H new ATOM 0 HB2 LYS A 44 4.278 -11.463 6.950 1.00 24.24 H new ATOM 0 HB3 LYS A 44 5.418 -12.747 6.599 1.00 24.24 H new ATOM 0 HG2 LYS A 44 7.270 -11.201 6.518 1.00 33.42 H new ATOM 0 HG3 LYS A 44 6.198 -9.814 6.543 1.00 33.42 H new ATOM 0 HD2 LYS A 44 5.462 -11.274 8.827 1.00 65.32 H new ATOM 0 HD3 LYS A 44 7.206 -11.434 8.772 1.00 65.32 H new ATOM 0 HE2 LYS A 44 7.162 -8.832 8.311 1.00 32.33 H new ATOM 0 HE3 LYS A 44 5.544 -8.920 8.979 1.00 32.33 H new ATOM 0 HZ1 LYS A 44 7.171 -8.421 10.685 1.00 43.53 H new ATOM 0 HZ2 LYS A 44 6.458 -9.933 10.987 1.00 43.53 H new ATOM 0 HZ3 LYS A 44 8.026 -9.847 10.340 1.00 43.53 H new ATOM 653 N LYS A 45 4.842 -9.137 4.524 1.00 35.21 N ATOM 654 CA LYS A 45 4.209 -7.845 4.285 1.00 24.14 C ATOM 655 C LYS A 45 3.475 -7.838 2.949 1.00 54.43 C ATOM 656 O LYS A 45 2.443 -7.183 2.800 1.00 73.02 O ATOM 657 CB LYS A 45 5.257 -6.729 4.310 1.00 34.51 C ATOM 658 CG LYS A 45 5.271 -5.937 5.606 1.00 71.31 C ATOM 659 CD LYS A 45 4.307 -4.764 5.553 1.00 41.23 C ATOM 660 CE LYS A 45 4.775 -3.702 4.569 1.00 23.13 C ATOM 661 NZ LYS A 45 4.256 -2.352 4.922 1.00 55.24 N ATOM 0 H LYS A 45 5.860 -9.104 4.579 1.00 35.21 H new ATOM 0 HA LYS A 45 3.483 -7.671 5.079 1.00 24.14 H new ATOM 0 HB2 LYS A 45 6.243 -7.164 4.149 1.00 34.51 H new ATOM 0 HB3 LYS A 45 5.070 -6.048 3.480 1.00 34.51 H new ATOM 0 HG2 LYS A 45 5.004 -6.591 6.436 1.00 71.31 H new ATOM 0 HG3 LYS A 45 6.280 -5.572 5.799 1.00 71.31 H new ATOM 0 HD2 LYS A 45 3.317 -5.118 5.265 1.00 41.23 H new ATOM 0 HD3 LYS A 45 4.212 -4.325 6.546 1.00 41.23 H new ATOM 0 HE2 LYS A 45 5.865 -3.679 4.551 1.00 23.13 H new ATOM 0 HE3 LYS A 45 4.445 -3.967 3.565 1.00 23.13 H new ATOM 0 HZ1 LYS A 45 4.597 -1.657 4.228 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 3.216 -2.367 4.915 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 4.592 -2.088 5.870 1.00 55.24 H new ATOM 675 N VAL A 46 4.012 -8.571 1.979 1.00 43.42 N ATOM 676 CA VAL A 46 3.406 -8.650 0.655 1.00 21.32 C ATOM 677 C VAL A 46 2.162 -9.531 0.673 1.00 61.44 C ATOM 678 O VAL A 46 1.300 -9.425 -0.200 1.00 44.14 O ATOM 679 CB VAL A 46 4.399 -9.203 -0.384 1.00 71.35 C ATOM 680 CG1 VAL A 46 3.729 -9.338 -1.744 1.00 4.14 C ATOM 681 CG2 VAL A 46 5.629 -8.312 -0.473 1.00 32.34 C ATOM 0 H VAL A 46 4.866 -9.119 2.085 1.00 43.42 H new ATOM 0 HA VAL A 46 3.125 -7.635 0.373 1.00 21.32 H new ATOM 0 HB VAL A 46 4.719 -10.194 -0.063 1.00 71.35 H new ATOM 0 HG11 VAL A 46 4.446 -9.730 -2.465 1.00 4.14 H new ATOM 0 HG12 VAL A 46 2.882 -10.020 -1.666 1.00 4.14 H new ATOM 0 HG13 VAL A 46 3.378 -8.361 -2.075 1.00 4.14 H new ATOM 0 HG21 VAL A 46 6.320 -8.718 -1.212 1.00 32.34 H new ATOM 0 HG22 VAL A 46 5.329 -7.307 -0.770 1.00 32.34 H new ATOM 0 HG23 VAL A 46 6.120 -8.272 0.499 1.00 32.34 H new ATOM 691 N PHE A 47 2.074 -10.402 1.673 1.00 42.12 N ATOM 692 CA PHE A 47 0.935 -11.303 1.804 1.00 1.24 C ATOM 693 C PHE A 47 -0.263 -10.579 2.412 1.00 31.41 C ATOM 694 O PHE A 47 -1.411 -10.969 2.200 1.00 65.13 O ATOM 695 CB PHE A 47 1.309 -12.509 2.669 1.00 50.15 C ATOM 696 CG PHE A 47 0.173 -13.021 3.506 1.00 35.43 C ATOM 697 CD1 PHE A 47 -0.794 -13.847 2.955 1.00 30.44 C ATOM 698 CD2 PHE A 47 0.071 -12.678 4.845 1.00 40.34 C ATOM 699 CE1 PHE A 47 -1.841 -14.320 3.724 1.00 51.40 C ATOM 700 CE2 PHE A 47 -0.974 -13.147 5.618 1.00 23.33 C ATOM 701 CZ PHE A 47 -1.930 -13.970 5.057 1.00 34.23 C ATOM 0 H PHE A 47 2.778 -10.503 2.404 1.00 42.12 H new ATOM 0 HA PHE A 47 0.661 -11.650 0.808 1.00 1.24 H new ATOM 0 HB2 PHE A 47 1.665 -13.312 2.024 1.00 50.15 H new ATOM 0 HB3 PHE A 47 2.137 -12.234 3.323 1.00 50.15 H new ATOM 0 HD1 PHE A 47 -0.729 -14.124 1.913 1.00 30.44 H new ATOM 0 HD2 PHE A 47 0.817 -12.036 5.290 1.00 40.34 H new ATOM 0 HE1 PHE A 47 -2.589 -14.963 3.283 1.00 51.40 H new ATOM 0 HE2 PHE A 47 -1.043 -12.870 6.660 1.00 23.33 H new ATOM 0 HZ PHE A 47 -2.746 -14.340 5.660 1.00 34.23 H new ATOM 711 N GLY A 48 0.013 -9.523 3.170 1.00 2.25 N ATOM 712 CA GLY A 48 -1.051 -8.762 3.798 1.00 10.43 C ATOM 713 C GLY A 48 -1.864 -7.966 2.796 1.00 22.02 C ATOM 714 O GLY A 48 -2.893 -7.386 3.143 1.00 72.11 O ATOM 0 H GLY A 48 0.955 -9.181 3.361 1.00 2.25 H new ATOM 0 HA2 GLY A 48 -1.710 -9.442 4.338 1.00 10.43 H new ATOM 0 HA3 GLY A 48 -0.622 -8.083 4.534 1.00 10.43 H new ATOM 718 N ILE A 49 -1.400 -7.937 1.551 1.00 15.43 N ATOM 719 CA ILE A 49 -2.092 -7.205 0.497 1.00 64.54 C ATOM 720 C ILE A 49 -3.030 -8.121 -0.283 1.00 44.20 C ATOM 721 O ILE A 49 -3.875 -7.655 -1.048 1.00 60.24 O ATOM 722 CB ILE A 49 -1.097 -6.555 -0.482 1.00 45.24 C ATOM 723 CG1 ILE A 49 0.001 -5.817 0.287 1.00 24.51 C ATOM 724 CG2 ILE A 49 -1.823 -5.603 -1.422 1.00 21.54 C ATOM 725 CD1 ILE A 49 1.078 -5.238 -0.603 1.00 64.12 C ATOM 0 H ILE A 49 -0.549 -8.411 1.248 1.00 15.43 H new ATOM 0 HA ILE A 49 -2.674 -6.423 0.985 1.00 64.54 H new ATOM 0 HB ILE A 49 -0.632 -7.340 -1.078 1.00 45.24 H new ATOM 0 HG12 ILE A 49 -0.451 -5.012 0.867 1.00 24.51 H new ATOM 0 HG13 ILE A 49 0.459 -6.504 0.998 1.00 24.51 H new ATOM 0 HG21 ILE A 49 -1.106 -5.152 -2.108 1.00 21.54 H new ATOM 0 HG22 ILE A 49 -2.572 -6.154 -1.991 1.00 21.54 H new ATOM 0 HG23 ILE A 49 -2.312 -4.821 -0.841 1.00 21.54 H new ATOM 0 HD11 ILE A 49 1.822 -4.730 0.010 1.00 64.12 H new ATOM 0 HD12 ILE A 49 1.557 -6.041 -1.164 1.00 64.12 H new ATOM 0 HD13 ILE A 49 0.632 -4.526 -1.297 1.00 64.12 H new ATOM 737 N LEU A 50 -2.876 -9.425 -0.083 1.00 12.05 N ATOM 738 CA LEU A 50 -3.711 -10.407 -0.765 1.00 71.42 C ATOM 739 C LEU A 50 -5.014 -10.636 -0.006 1.00 71.21 C ATOM 740 O LEU A 50 -6.102 -10.521 -0.571 1.00 62.33 O ATOM 741 CB LEU A 50 -2.957 -11.730 -0.917 1.00 2.53 C ATOM 742 CG LEU A 50 -1.432 -11.631 -0.964 1.00 43.40 C ATOM 743 CD1 LEU A 50 -0.812 -13.009 -1.132 1.00 33.43 C ATOM 744 CD2 LEU A 50 -0.992 -10.706 -2.090 1.00 1.13 C ATOM 0 H LEU A 50 -2.181 -9.827 0.546 1.00 12.05 H new ATOM 0 HA LEU A 50 -3.952 -10.017 -1.754 1.00 71.42 H new ATOM 0 HB2 LEU A 50 -3.234 -12.380 -0.087 1.00 2.53 H new ATOM 0 HB3 LEU A 50 -3.298 -12.217 -1.831 1.00 2.53 H new ATOM 0 HG LEU A 50 -1.085 -11.212 -0.019 1.00 43.40 H new ATOM 0 HD11 LEU A 50 0.274 -12.918 -1.163 1.00 33.43 H new ATOM 0 HD12 LEU A 50 -1.099 -13.642 -0.292 1.00 33.43 H new ATOM 0 HD13 LEU A 50 -1.166 -13.456 -2.061 1.00 33.43 H new ATOM 0 HD21 LEU A 50 0.096 -10.647 -2.109 1.00 1.13 H new ATOM 0 HD22 LEU A 50 -1.351 -11.096 -3.043 1.00 1.13 H new ATOM 0 HD23 LEU A 50 -1.406 -9.711 -1.926 1.00 1.13 H new ATOM 756 N ASP A 51 -4.896 -10.958 1.277 1.00 33.42 N ATOM 757 CA ASP A 51 -6.065 -11.200 2.115 1.00 21.04 C ATOM 758 C ASP A 51 -7.092 -10.084 1.950 1.00 33.50 C ATOM 759 O ASP A 51 -6.735 -8.913 1.827 1.00 33.21 O ATOM 760 CB ASP A 51 -5.651 -11.316 3.583 1.00 12.33 C ATOM 761 CG ASP A 51 -6.539 -12.266 4.362 1.00 73.11 C ATOM 762 OD1 ASP A 51 -7.739 -12.364 4.030 1.00 55.41 O ATOM 763 OD2 ASP A 51 -6.034 -12.913 5.303 1.00 71.12 O ATOM 0 H ASP A 51 -4.003 -11.058 1.760 1.00 33.42 H new ATOM 0 HA ASP A 51 -6.521 -12.138 1.799 1.00 21.04 H new ATOM 0 HB2 ASP A 51 -4.618 -11.660 3.640 1.00 12.33 H new ATOM 0 HB3 ASP A 51 -5.685 -10.330 4.046 1.00 12.33 H new ATOM 768 N GLN A 52 -8.368 -10.457 1.947 1.00 20.40 N ATOM 769 CA GLN A 52 -9.446 -9.488 1.795 1.00 54.03 C ATOM 770 C GLN A 52 -9.552 -8.594 3.026 1.00 53.34 C ATOM 771 O GLN A 52 -9.666 -7.373 2.910 1.00 34.32 O ATOM 772 CB GLN A 52 -10.776 -10.206 1.555 1.00 2.23 C ATOM 773 CG GLN A 52 -11.060 -11.310 2.560 1.00 33.51 C ATOM 774 CD GLN A 52 -12.179 -10.954 3.519 1.00 51.52 C ATOM 775 OE1 GLN A 52 -12.028 -11.063 4.736 1.00 42.21 O ATOM 776 NE2 GLN A 52 -13.311 -10.523 2.974 1.00 32.41 N ATOM 0 H GLN A 52 -8.680 -11.423 2.048 1.00 20.40 H new ATOM 0 HA GLN A 52 -9.219 -8.862 0.932 1.00 54.03 H new ATOM 0 HB2 GLN A 52 -11.585 -9.476 1.591 1.00 2.23 H new ATOM 0 HB3 GLN A 52 -10.774 -10.631 0.551 1.00 2.23 H new ATOM 0 HG2 GLN A 52 -11.322 -12.224 2.026 1.00 33.51 H new ATOM 0 HG3 GLN A 52 -10.154 -11.521 3.128 1.00 33.51 H new ATOM 0 HE21 GLN A 52 -13.393 -10.448 1.960 1.00 32.41 H new ATOM 0 HE22 GLN A 52 -14.099 -10.267 3.569 1.00 32.41 H new ATOM 785 N ASP A 53 -9.514 -9.209 4.202 1.00 10.44 N ATOM 786 CA ASP A 53 -9.605 -8.468 5.455 1.00 20.04 C ATOM 787 C ASP A 53 -8.485 -8.873 6.408 1.00 4.34 C ATOM 788 O ASP A 53 -8.587 -8.684 7.621 1.00 74.33 O ATOM 789 CB ASP A 53 -10.964 -8.706 6.116 1.00 42.02 C ATOM 790 CG ASP A 53 -12.120 -8.310 5.219 1.00 15.44 C ATOM 791 OD1 ASP A 53 -11.891 -7.547 4.257 1.00 75.21 O ATOM 792 OD2 ASP A 53 -13.255 -8.763 5.480 1.00 45.52 O ATOM 0 H ASP A 53 -9.421 -10.218 4.315 1.00 10.44 H new ATOM 0 HA ASP A 53 -9.500 -7.407 5.229 1.00 20.04 H new ATOM 0 HB2 ASP A 53 -11.057 -9.759 6.380 1.00 42.02 H new ATOM 0 HB3 ASP A 53 -11.018 -8.138 7.045 1.00 42.02 H new ATOM 797 N LYS A 54 -7.415 -9.431 5.852 1.00 4.23 N ATOM 798 CA LYS A 54 -6.274 -9.863 6.651 1.00 1.33 C ATOM 799 C LYS A 54 -6.735 -10.601 7.904 1.00 53.30 C ATOM 800 O LYS A 54 -6.204 -10.386 8.993 1.00 24.33 O ATOM 801 CB LYS A 54 -5.415 -8.659 7.043 1.00 5.42 C ATOM 802 CG LYS A 54 -4.610 -8.085 5.890 1.00 5.21 C ATOM 803 CD LYS A 54 -5.458 -7.177 5.015 1.00 23.12 C ATOM 804 CE LYS A 54 -5.907 -5.936 5.770 1.00 3.45 C ATOM 805 NZ LYS A 54 -4.766 -5.249 6.437 1.00 43.32 N ATOM 0 H LYS A 54 -7.314 -9.595 4.850 1.00 4.23 H new ATOM 0 HA LYS A 54 -5.677 -10.547 6.047 1.00 1.33 H new ATOM 0 HB2 LYS A 54 -6.060 -7.879 7.448 1.00 5.42 H new ATOM 0 HB3 LYS A 54 -4.733 -8.954 7.840 1.00 5.42 H new ATOM 0 HG2 LYS A 54 -3.761 -7.525 6.281 1.00 5.21 H new ATOM 0 HG3 LYS A 54 -4.205 -8.898 5.287 1.00 5.21 H new ATOM 0 HD2 LYS A 54 -4.887 -6.882 4.135 1.00 23.12 H new ATOM 0 HD3 LYS A 54 -6.331 -7.724 4.660 1.00 23.12 H new ATOM 0 HE2 LYS A 54 -6.392 -5.247 5.079 1.00 3.45 H new ATOM 0 HE3 LYS A 54 -6.650 -6.215 6.517 1.00 3.45 H new ATOM 0 HZ1 LYS A 54 -5.055 -4.291 6.721 1.00 43.32 H new ATOM 0 HZ2 LYS A 54 -4.481 -5.788 7.279 1.00 43.32 H new ATOM 0 HZ3 LYS A 54 -3.964 -5.187 5.777 1.00 43.32 H new ATOM 819 N SER A 55 -7.726 -11.471 7.741 1.00 33.42 N ATOM 820 CA SER A 55 -8.260 -12.239 8.860 1.00 74.53 C ATOM 821 C SER A 55 -7.176 -13.110 9.488 1.00 73.24 C ATOM 822 O SER A 55 -7.310 -13.567 10.622 1.00 15.52 O ATOM 823 CB SER A 55 -9.427 -13.113 8.395 1.00 62.51 C ATOM 824 OG SER A 55 -10.114 -12.513 7.311 1.00 43.13 O ATOM 0 H SER A 55 -8.175 -11.662 6.845 1.00 33.42 H new ATOM 0 HA SER A 55 -8.618 -11.537 9.613 1.00 74.53 H new ATOM 0 HB2 SER A 55 -9.055 -14.093 8.096 1.00 62.51 H new ATOM 0 HB3 SER A 55 -10.118 -13.273 9.223 1.00 62.51 H new ATOM 0 HG SER A 55 -10.854 -13.092 7.032 1.00 43.13 H new ATOM 830 N GLY A 56 -6.101 -13.337 8.740 1.00 45.55 N ATOM 831 CA GLY A 56 -5.008 -14.152 9.238 1.00 14.32 C ATOM 832 C GLY A 56 -4.799 -15.407 8.415 1.00 42.14 C ATOM 833 O GLY A 56 -3.666 -15.846 8.217 1.00 61.53 O ATOM 0 H GLY A 56 -5.967 -12.971 7.797 1.00 45.55 H new ATOM 0 HA2 GLY A 56 -4.090 -13.564 9.237 1.00 14.32 H new ATOM 0 HA3 GLY A 56 -5.208 -14.429 10.273 1.00 14.32 H new ATOM 837 N PHE A 57 -5.894 -15.987 7.934 1.00 24.00 N ATOM 838 CA PHE A 57 -5.825 -17.201 7.129 1.00 30.24 C ATOM 839 C PHE A 57 -6.612 -17.039 5.832 1.00 63.10 C ATOM 840 O PHE A 57 -7.840 -16.951 5.845 1.00 21.24 O ATOM 841 CB PHE A 57 -6.365 -18.394 7.921 1.00 72.12 C ATOM 842 CG PHE A 57 -5.787 -18.508 9.302 1.00 32.05 C ATOM 843 CD1 PHE A 57 -4.423 -18.666 9.486 1.00 0.43 C ATOM 844 CD2 PHE A 57 -6.608 -18.458 10.417 1.00 33.24 C ATOM 845 CE1 PHE A 57 -3.888 -18.770 10.756 1.00 23.34 C ATOM 846 CE2 PHE A 57 -6.079 -18.562 11.690 1.00 42.12 C ATOM 847 CZ PHE A 57 -4.717 -18.719 11.860 1.00 71.55 C ATOM 0 H PHE A 57 -6.839 -15.636 8.088 1.00 24.00 H new ATOM 0 HA PHE A 57 -4.780 -17.383 6.879 1.00 30.24 H new ATOM 0 HB2 PHE A 57 -7.449 -18.310 7.995 1.00 72.12 H new ATOM 0 HB3 PHE A 57 -6.154 -19.311 7.371 1.00 72.12 H new ATOM 0 HD1 PHE A 57 -3.770 -18.708 8.627 1.00 0.43 H new ATOM 0 HD2 PHE A 57 -7.674 -18.336 10.290 1.00 33.24 H new ATOM 0 HE1 PHE A 57 -2.823 -18.891 10.885 1.00 23.34 H new ATOM 0 HE2 PHE A 57 -6.730 -18.521 12.551 1.00 42.12 H new ATOM 0 HZ PHE A 57 -4.301 -18.802 12.853 1.00 71.55 H new ATOM 857 N ILE A 58 -5.895 -17.000 4.714 1.00 52.33 N ATOM 858 CA ILE A 58 -6.525 -16.849 3.408 1.00 14.41 C ATOM 859 C ILE A 58 -6.990 -18.195 2.863 1.00 45.13 C ATOM 860 O ILE A 58 -6.174 -19.046 2.508 1.00 54.54 O ATOM 861 CB ILE A 58 -5.568 -16.199 2.392 1.00 5.54 C ATOM 862 CG1 ILE A 58 -5.474 -14.691 2.639 1.00 30.40 C ATOM 863 CG2 ILE A 58 -6.032 -16.480 0.971 1.00 24.42 C ATOM 864 CD1 ILE A 58 -4.453 -13.998 1.764 1.00 30.13 C ATOM 0 H ILE A 58 -4.878 -17.071 4.686 1.00 52.33 H new ATOM 0 HA ILE A 58 -7.388 -16.199 3.548 1.00 14.41 H new ATOM 0 HB ILE A 58 -4.576 -16.632 2.522 1.00 5.54 H new ATOM 0 HG12 ILE A 58 -6.452 -14.241 2.468 1.00 30.40 H new ATOM 0 HG13 ILE A 58 -5.222 -14.517 3.685 1.00 30.40 H new ATOM 0 HG21 ILE A 58 -5.345 -16.014 0.265 1.00 24.42 H new ATOM 0 HG22 ILE A 58 -6.052 -17.556 0.801 1.00 24.42 H new ATOM 0 HG23 ILE A 58 -7.032 -16.071 0.827 1.00 24.42 H new ATOM 0 HD11 ILE A 58 -4.441 -12.932 1.993 1.00 30.13 H new ATOM 0 HD12 ILE A 58 -3.466 -14.421 1.952 1.00 30.13 H new ATOM 0 HD13 ILE A 58 -4.716 -14.141 0.716 1.00 30.13 H new ATOM 876 N GLU A 59 -8.304 -18.380 2.798 1.00 54.52 N ATOM 877 CA GLU A 59 -8.877 -19.623 2.294 1.00 4.41 C ATOM 878 C GLU A 59 -8.787 -19.685 0.772 1.00 34.20 C ATOM 879 O GLU A 59 -8.505 -18.684 0.115 1.00 12.44 O ATOM 880 CB GLU A 59 -10.336 -19.754 2.736 1.00 25.53 C ATOM 881 CG GLU A 59 -10.529 -19.638 4.239 1.00 50.22 C ATOM 882 CD GLU A 59 -11.926 -19.181 4.613 1.00 24.15 C ATOM 883 OE1 GLU A 59 -12.470 -18.302 3.914 1.00 13.54 O ATOM 884 OE2 GLU A 59 -12.474 -19.704 5.606 1.00 22.23 O ATOM 0 H GLU A 59 -8.992 -17.685 3.088 1.00 54.52 H new ATOM 0 HA GLU A 59 -8.304 -20.452 2.709 1.00 4.41 H new ATOM 0 HB2 GLU A 59 -10.927 -18.983 2.242 1.00 25.53 H new ATOM 0 HB3 GLU A 59 -10.723 -20.716 2.402 1.00 25.53 H new ATOM 0 HG2 GLU A 59 -10.330 -20.604 4.703 1.00 50.22 H new ATOM 0 HG3 GLU A 59 -9.800 -18.935 4.642 1.00 50.22 H new ATOM 891 N GLU A 60 -9.030 -20.870 0.219 1.00 4.41 N ATOM 892 CA GLU A 60 -8.975 -21.063 -1.225 1.00 71.12 C ATOM 893 C GLU A 60 -9.859 -20.048 -1.944 1.00 35.21 C ATOM 894 O GLU A 60 -9.638 -19.736 -3.113 1.00 54.13 O ATOM 895 CB GLU A 60 -9.412 -22.484 -1.589 1.00 4.14 C ATOM 896 CG GLU A 60 -9.143 -22.851 -3.038 1.00 63.23 C ATOM 897 CD GLU A 60 -10.337 -22.595 -3.936 1.00 75.22 C ATOM 898 OE1 GLU A 60 -11.469 -22.930 -3.529 1.00 12.03 O ATOM 899 OE2 GLU A 60 -10.140 -22.059 -5.047 1.00 21.31 O ATOM 0 H GLU A 60 -9.266 -21.709 0.749 1.00 4.41 H new ATOM 0 HA GLU A 60 -7.944 -20.914 -1.546 1.00 71.12 H new ATOM 0 HB2 GLU A 60 -8.894 -23.191 -0.942 1.00 4.14 H new ATOM 0 HB3 GLU A 60 -10.478 -22.590 -1.388 1.00 4.14 H new ATOM 0 HG2 GLU A 60 -8.290 -22.278 -3.402 1.00 63.23 H new ATOM 0 HG3 GLU A 60 -8.868 -23.904 -3.097 1.00 63.23 H new ATOM 906 N GLU A 61 -10.862 -19.538 -1.235 1.00 24.14 N ATOM 907 CA GLU A 61 -11.780 -18.560 -1.805 1.00 50.14 C ATOM 908 C GLU A 61 -11.049 -17.268 -2.157 1.00 43.35 C ATOM 909 O GLU A 61 -11.208 -16.732 -3.254 1.00 25.12 O ATOM 910 CB GLU A 61 -12.918 -18.264 -0.826 1.00 72.14 C ATOM 911 CG GLU A 61 -13.705 -19.498 -0.417 1.00 1.10 C ATOM 912 CD GLU A 61 -14.284 -20.241 -1.605 1.00 21.40 C ATOM 913 OE1 GLU A 61 -14.424 -19.624 -2.681 1.00 42.02 O ATOM 914 OE2 GLU A 61 -14.597 -21.442 -1.458 1.00 2.53 O ATOM 0 H GLU A 61 -11.059 -19.786 -0.265 1.00 24.14 H new ATOM 0 HA GLU A 61 -12.197 -18.982 -2.719 1.00 50.14 H new ATOM 0 HB2 GLU A 61 -12.505 -17.794 0.067 1.00 72.14 H new ATOM 0 HB3 GLU A 61 -13.598 -17.543 -1.280 1.00 72.14 H new ATOM 0 HG2 GLU A 61 -13.055 -20.169 0.145 1.00 1.10 H new ATOM 0 HG3 GLU A 61 -14.514 -19.203 0.252 1.00 1.10 H new ATOM 921 N GLU A 62 -10.248 -16.773 -1.219 1.00 22.13 N ATOM 922 CA GLU A 62 -9.493 -15.543 -1.429 1.00 73.24 C ATOM 923 C GLU A 62 -8.157 -15.834 -2.105 1.00 65.14 C ATOM 924 O GLU A 62 -7.473 -14.922 -2.574 1.00 33.52 O ATOM 925 CB GLU A 62 -9.259 -14.828 -0.097 1.00 43.13 C ATOM 926 CG GLU A 62 -9.992 -13.502 0.019 1.00 22.10 C ATOM 927 CD GLU A 62 -11.499 -13.666 0.008 1.00 12.03 C ATOM 928 OE1 GLU A 62 -12.030 -14.326 0.926 1.00 11.33 O ATOM 929 OE2 GLU A 62 -12.148 -13.135 -0.917 1.00 63.44 O ATOM 0 H GLU A 62 -10.105 -17.205 -0.306 1.00 22.13 H new ATOM 0 HA GLU A 62 -10.077 -14.895 -2.082 1.00 73.24 H new ATOM 0 HB2 GLU A 62 -9.575 -15.481 0.717 1.00 43.13 H new ATOM 0 HB3 GLU A 62 -8.190 -14.655 0.030 1.00 43.13 H new ATOM 0 HG2 GLU A 62 -9.691 -13.004 0.941 1.00 22.10 H new ATOM 0 HG3 GLU A 62 -9.695 -12.853 -0.805 1.00 22.10 H new ATOM 936 N LEU A 63 -7.789 -17.110 -2.152 1.00 11.22 N ATOM 937 CA LEU A 63 -6.534 -17.523 -2.770 1.00 2.53 C ATOM 938 C LEU A 63 -6.626 -17.452 -4.291 1.00 35.24 C ATOM 939 O LEU A 63 -5.616 -17.305 -4.977 1.00 4.12 O ATOM 940 CB LEU A 63 -6.171 -18.944 -2.335 1.00 13.53 C ATOM 941 CG LEU A 63 -4.681 -19.286 -2.334 1.00 0.44 C ATOM 942 CD1 LEU A 63 -3.962 -18.536 -1.223 1.00 31.25 C ATOM 943 CD2 LEU A 63 -4.478 -20.786 -2.185 1.00 34.51 C ATOM 0 H LEU A 63 -8.342 -17.877 -1.769 1.00 11.22 H new ATOM 0 HA LEU A 63 -5.753 -16.838 -2.440 1.00 2.53 H new ATOM 0 HB2 LEU A 63 -6.561 -19.106 -1.330 1.00 13.53 H new ATOM 0 HB3 LEU A 63 -6.684 -19.646 -2.993 1.00 13.53 H new ATOM 0 HG LEU A 63 -4.256 -18.975 -3.288 1.00 0.44 H new ATOM 0 HD11 LEU A 63 -2.903 -18.792 -1.238 1.00 31.25 H new ATOM 0 HD12 LEU A 63 -4.078 -17.463 -1.374 1.00 31.25 H new ATOM 0 HD13 LEU A 63 -4.389 -18.815 -0.260 1.00 31.25 H new ATOM 0 HD21 LEU A 63 -3.411 -21.011 -2.186 1.00 34.51 H new ATOM 0 HD22 LEU A 63 -4.918 -21.121 -1.246 1.00 34.51 H new ATOM 0 HD23 LEU A 63 -4.959 -21.303 -3.016 1.00 34.51 H new ATOM 955 N GLN A 64 -7.846 -17.556 -4.809 1.00 63.44 N ATOM 956 CA GLN A 64 -8.070 -17.503 -6.249 1.00 42.12 C ATOM 957 C GLN A 64 -7.855 -16.090 -6.781 1.00 53.15 C ATOM 958 O GLN A 64 -7.975 -15.842 -7.982 1.00 60.52 O ATOM 959 CB GLN A 64 -9.485 -17.978 -6.584 1.00 42.44 C ATOM 960 CG GLN A 64 -10.557 -16.936 -6.309 1.00 51.22 C ATOM 961 CD GLN A 64 -11.955 -17.523 -6.307 1.00 24.20 C ATOM 962 OE1 GLN A 64 -12.745 -17.272 -5.397 1.00 23.05 O ATOM 963 NE2 GLN A 64 -12.268 -18.311 -7.329 1.00 43.33 N ATOM 0 H GLN A 64 -8.693 -17.677 -4.254 1.00 63.44 H new ATOM 0 HA GLN A 64 -7.349 -18.166 -6.729 1.00 42.12 H new ATOM 0 HB2 GLN A 64 -9.525 -18.260 -7.636 1.00 42.44 H new ATOM 0 HB3 GLN A 64 -9.705 -18.875 -6.005 1.00 42.44 H new ATOM 0 HG2 GLN A 64 -10.363 -16.466 -5.345 1.00 51.22 H new ATOM 0 HG3 GLN A 64 -10.498 -16.151 -7.063 1.00 51.22 H new ATOM 0 HE21 GLN A 64 -11.582 -18.492 -8.062 1.00 43.33 H new ATOM 0 HE22 GLN A 64 -13.194 -18.735 -7.381 1.00 43.33 H new ATOM 972 N LEU A 65 -7.538 -15.166 -5.881 1.00 52.12 N ATOM 973 CA LEU A 65 -7.307 -13.776 -6.260 1.00 71.20 C ATOM 974 C LEU A 65 -5.818 -13.445 -6.234 1.00 34.03 C ATOM 975 O LEU A 65 -5.432 -12.276 -6.207 1.00 70.34 O ATOM 976 CB LEU A 65 -8.067 -12.838 -5.321 1.00 3.23 C ATOM 977 CG LEU A 65 -9.449 -13.312 -4.872 1.00 33.22 C ATOM 978 CD1 LEU A 65 -9.978 -12.431 -3.751 1.00 10.02 C ATOM 979 CD2 LEU A 65 -10.417 -13.322 -6.046 1.00 61.33 C ATOM 0 H LEU A 65 -7.435 -15.354 -4.884 1.00 52.12 H new ATOM 0 HA LEU A 65 -7.673 -13.636 -7.277 1.00 71.20 H new ATOM 0 HB2 LEU A 65 -7.456 -12.672 -4.434 1.00 3.23 H new ATOM 0 HB3 LEU A 65 -8.179 -11.873 -5.816 1.00 3.23 H new ATOM 0 HG LEU A 65 -9.357 -14.330 -4.494 1.00 33.22 H new ATOM 0 HD11 LEU A 65 -10.963 -12.784 -3.445 1.00 10.02 H new ATOM 0 HD12 LEU A 65 -9.296 -12.475 -2.901 1.00 10.02 H new ATOM 0 HD13 LEU A 65 -10.055 -11.402 -4.102 1.00 10.02 H new ATOM 0 HD21 LEU A 65 -11.396 -13.662 -5.708 1.00 61.33 H new ATOM 0 HD22 LEU A 65 -10.504 -12.315 -6.454 1.00 61.33 H new ATOM 0 HD23 LEU A 65 -10.046 -13.996 -6.818 1.00 61.33 H new ATOM 991 N PHE A 66 -4.987 -14.481 -6.243 1.00 23.41 N ATOM 992 CA PHE A 66 -3.540 -14.301 -6.221 1.00 42.23 C ATOM 993 C PHE A 66 -3.056 -13.630 -7.504 1.00 32.12 C ATOM 994 O PHE A 66 -1.969 -13.052 -7.544 1.00 71.31 O ATOM 995 CB PHE A 66 -2.839 -15.649 -6.042 1.00 2.01 C ATOM 996 CG PHE A 66 -1.340 -15.549 -6.029 1.00 53.53 C ATOM 997 CD1 PHE A 66 -0.660 -15.290 -4.850 1.00 61.14 C ATOM 998 CD2 PHE A 66 -0.612 -15.712 -7.197 1.00 10.02 C ATOM 999 CE1 PHE A 66 0.719 -15.197 -4.835 1.00 61.42 C ATOM 1000 CE2 PHE A 66 0.767 -15.621 -7.188 1.00 0.24 C ATOM 1001 CZ PHE A 66 1.433 -15.362 -6.006 1.00 3.12 C ATOM 0 H PHE A 66 -5.290 -15.455 -6.265 1.00 23.41 H new ATOM 0 HA PHE A 66 -3.292 -13.656 -5.378 1.00 42.23 H new ATOM 0 HB2 PHE A 66 -3.173 -16.102 -5.108 1.00 2.01 H new ATOM 0 HB3 PHE A 66 -3.143 -16.317 -6.847 1.00 2.01 H new ATOM 0 HD1 PHE A 66 -1.214 -15.159 -3.932 1.00 61.14 H new ATOM 0 HD2 PHE A 66 -1.128 -15.912 -8.124 1.00 10.02 H new ATOM 0 HE1 PHE A 66 1.237 -14.996 -3.909 1.00 61.42 H new ATOM 0 HE2 PHE A 66 1.323 -15.752 -8.104 1.00 0.24 H new ATOM 0 HZ PHE A 66 2.510 -15.289 -5.997 1.00 3.12 H new ATOM 1011 N LEU A 67 -3.871 -13.712 -8.550 1.00 43.50 N ATOM 1012 CA LEU A 67 -3.527 -13.113 -9.835 1.00 71.34 C ATOM 1013 C LEU A 67 -3.990 -11.661 -9.901 1.00 61.33 C ATOM 1014 O LEU A 67 -3.728 -10.958 -10.878 1.00 34.52 O ATOM 1015 CB LEU A 67 -4.157 -13.913 -10.977 1.00 64.41 C ATOM 1016 CG LEU A 67 -3.295 -15.029 -11.569 1.00 60.25 C ATOM 1017 CD1 LEU A 67 -4.100 -15.856 -12.560 1.00 22.42 C ATOM 1018 CD2 LEU A 67 -2.057 -14.449 -12.238 1.00 71.21 C ATOM 0 H LEU A 67 -4.774 -14.187 -8.534 1.00 43.50 H new ATOM 0 HA LEU A 67 -2.442 -13.134 -9.939 1.00 71.34 H new ATOM 0 HB2 LEU A 67 -5.087 -14.352 -10.617 1.00 64.41 H new ATOM 0 HB3 LEU A 67 -4.420 -13.221 -11.777 1.00 64.41 H new ATOM 0 HG LEU A 67 -2.973 -15.682 -10.758 1.00 60.25 H new ATOM 0 HD11 LEU A 67 -3.471 -16.645 -12.971 1.00 22.42 H new ATOM 0 HD12 LEU A 67 -4.955 -16.302 -12.052 1.00 22.42 H new ATOM 0 HD13 LEU A 67 -4.452 -15.215 -13.368 1.00 22.42 H new ATOM 0 HD21 LEU A 67 -1.455 -15.257 -12.654 1.00 71.21 H new ATOM 0 HD22 LEU A 67 -2.359 -13.773 -13.038 1.00 71.21 H new ATOM 0 HD23 LEU A 67 -1.469 -13.901 -11.502 1.00 71.21 H new ATOM 1030 N LYS A 68 -4.677 -11.217 -8.855 1.00 13.22 N ATOM 1031 CA LYS A 68 -5.174 -9.847 -8.791 1.00 31.53 C ATOM 1032 C LYS A 68 -4.235 -8.966 -7.973 1.00 53.22 C ATOM 1033 O LYS A 68 -4.284 -7.740 -8.064 1.00 13.01 O ATOM 1034 CB LYS A 68 -6.577 -9.820 -8.180 1.00 71.22 C ATOM 1035 CG LYS A 68 -7.558 -10.755 -8.867 1.00 64.01 C ATOM 1036 CD LYS A 68 -8.072 -10.165 -10.170 1.00 5.04 C ATOM 1037 CE LYS A 68 -9.557 -9.848 -10.090 1.00 71.43 C ATOM 1038 NZ LYS A 68 -9.803 -8.406 -9.815 1.00 1.24 N ATOM 0 H LYS A 68 -4.903 -11.786 -8.039 1.00 13.22 H new ATOM 0 HA LYS A 68 -5.219 -9.455 -9.807 1.00 31.53 H new ATOM 0 HB2 LYS A 68 -6.510 -10.088 -7.126 1.00 71.22 H new ATOM 0 HB3 LYS A 68 -6.965 -8.802 -8.226 1.00 71.22 H new ATOM 0 HG2 LYS A 68 -7.073 -11.711 -9.066 1.00 64.01 H new ATOM 0 HG3 LYS A 68 -8.397 -10.956 -8.201 1.00 64.01 H new ATOM 0 HD2 LYS A 68 -7.517 -9.256 -10.403 1.00 5.04 H new ATOM 0 HD3 LYS A 68 -7.892 -10.867 -10.985 1.00 5.04 H new ATOM 0 HE2 LYS A 68 -10.039 -10.126 -11.028 1.00 71.43 H new ATOM 0 HE3 LYS A 68 -10.015 -10.450 -9.306 1.00 71.43 H new ATOM 0 HZ1 LYS A 68 -10.827 -8.231 -9.768 1.00 1.24 H new ATOM 0 HZ2 LYS A 68 -9.366 -8.146 -8.908 1.00 1.24 H new ATOM 0 HZ3 LYS A 68 -9.388 -7.832 -10.577 1.00 1.24 H new ATOM 1052 N ASN A 69 -3.380 -9.599 -7.176 1.00 54.14 N ATOM 1053 CA ASN A 69 -2.430 -8.871 -6.344 1.00 24.23 C ATOM 1054 C ASN A 69 -1.143 -8.583 -7.112 1.00 31.24 C ATOM 1055 O ASN A 69 -0.327 -7.763 -6.691 1.00 62.11 O ATOM 1056 CB ASN A 69 -2.113 -9.670 -5.078 1.00 11.03 C ATOM 1057 CG ASN A 69 -3.305 -10.466 -4.583 1.00 15.32 C ATOM 1058 OD1 ASN A 69 -3.191 -11.654 -4.282 1.00 73.02 O ATOM 1059 ND2 ASN A 69 -4.458 -9.812 -4.496 1.00 51.14 N ATOM 0 H ASN A 69 -3.326 -10.614 -7.089 1.00 54.14 H new ATOM 0 HA ASN A 69 -2.885 -7.921 -6.063 1.00 24.23 H new ATOM 0 HB2 ASN A 69 -1.284 -10.349 -5.278 1.00 11.03 H new ATOM 0 HB3 ASN A 69 -1.784 -8.988 -4.294 1.00 11.03 H new ATOM 0 HD21 ASN A 69 -5.295 -10.295 -4.169 1.00 51.14 H new ATOM 0 HD22 ASN A 69 -4.506 -8.827 -4.756 1.00 51.14 H new ATOM 1066 N PHE A 70 -0.969 -9.263 -8.240 1.00 54.12 N ATOM 1067 CA PHE A 70 0.218 -9.081 -9.067 1.00 54.34 C ATOM 1068 C PHE A 70 -0.132 -8.368 -10.371 1.00 22.33 C ATOM 1069 O PHE A 70 0.492 -7.370 -10.732 1.00 32.33 O ATOM 1070 CB PHE A 70 0.867 -10.433 -9.370 1.00 54.13 C ATOM 1071 CG PHE A 70 1.493 -11.080 -8.168 1.00 44.43 C ATOM 1072 CD1 PHE A 70 0.706 -11.558 -7.133 1.00 63.44 C ATOM 1073 CD2 PHE A 70 2.870 -11.209 -8.074 1.00 34.34 C ATOM 1074 CE1 PHE A 70 1.281 -12.153 -6.026 1.00 33.21 C ATOM 1075 CE2 PHE A 70 3.450 -11.804 -6.969 1.00 13.44 C ATOM 1076 CZ PHE A 70 2.654 -12.277 -5.944 1.00 31.10 C ATOM 0 H PHE A 70 -1.635 -9.945 -8.603 1.00 54.12 H new ATOM 0 HA PHE A 70 0.925 -8.463 -8.513 1.00 54.34 H new ATOM 0 HB2 PHE A 70 0.114 -11.104 -9.783 1.00 54.13 H new ATOM 0 HB3 PHE A 70 1.629 -10.297 -10.138 1.00 54.13 H new ATOM 0 HD1 PHE A 70 -0.368 -11.465 -7.192 1.00 63.44 H new ATOM 0 HD2 PHE A 70 3.497 -10.841 -8.873 1.00 34.34 H new ATOM 0 HE1 PHE A 70 0.657 -12.521 -5.225 1.00 33.21 H new ATOM 0 HE2 PHE A 70 4.524 -11.899 -6.907 1.00 13.44 H new ATOM 0 HZ PHE A 70 3.105 -12.743 -5.080 1.00 31.10 H new ATOM 1086 N SER A 71 -1.133 -8.889 -11.073 1.00 31.12 N ATOM 1087 CA SER A 71 -1.563 -8.306 -12.338 1.00 75.54 C ATOM 1088 C SER A 71 -2.940 -7.663 -12.200 1.00 3.42 C ATOM 1089 O SER A 71 -3.623 -7.843 -11.192 1.00 71.31 O ATOM 1090 CB SER A 71 -1.596 -9.376 -13.432 1.00 31.13 C ATOM 1091 OG SER A 71 -1.803 -8.795 -14.708 1.00 34.25 O ATOM 0 H SER A 71 -1.661 -9.713 -10.787 1.00 31.12 H new ATOM 0 HA SER A 71 -0.846 -7.533 -12.616 1.00 75.54 H new ATOM 0 HB2 SER A 71 -0.658 -9.932 -13.430 1.00 31.13 H new ATOM 0 HB3 SER A 71 -2.391 -10.091 -13.221 1.00 31.13 H new ATOM 0 HG SER A 71 -1.818 -9.499 -15.389 1.00 34.25 H new ATOM 1097 N SER A 72 -3.339 -6.910 -13.220 1.00 34.10 N ATOM 1098 CA SER A 72 -4.632 -6.235 -13.212 1.00 31.42 C ATOM 1099 C SER A 72 -5.465 -6.642 -14.423 1.00 71.54 C ATOM 1100 O SER A 72 -6.552 -6.111 -14.650 1.00 70.12 O ATOM 1101 CB SER A 72 -4.439 -4.718 -13.198 1.00 0.20 C ATOM 1102 OG SER A 72 -3.551 -4.307 -14.223 1.00 24.51 O ATOM 0 H SER A 72 -2.786 -6.752 -14.062 1.00 34.10 H new ATOM 0 HA SER A 72 -5.165 -6.535 -12.309 1.00 31.42 H new ATOM 0 HB2 SER A 72 -5.402 -4.225 -13.328 1.00 0.20 H new ATOM 0 HB3 SER A 72 -4.049 -4.407 -12.229 1.00 0.20 H new ATOM 0 HG SER A 72 -3.446 -3.333 -14.194 1.00 24.51 H new ATOM 1108 N SER A 73 -4.947 -7.589 -15.199 1.00 24.30 N ATOM 1109 CA SER A 73 -5.640 -8.066 -16.390 1.00 65.12 C ATOM 1110 C SER A 73 -6.313 -9.409 -16.126 1.00 35.04 C ATOM 1111 O SER A 73 -7.401 -9.681 -16.633 1.00 12.40 O ATOM 1112 CB SER A 73 -4.660 -8.196 -17.558 1.00 50.52 C ATOM 1113 OG SER A 73 -5.330 -8.583 -18.745 1.00 71.22 O ATOM 0 H SER A 73 -4.050 -8.041 -15.024 1.00 24.30 H new ATOM 0 HA SER A 73 -6.409 -7.338 -16.648 1.00 65.12 H new ATOM 0 HB2 SER A 73 -4.151 -7.245 -17.717 1.00 50.52 H new ATOM 0 HB3 SER A 73 -3.893 -8.931 -17.313 1.00 50.52 H new ATOM 0 HG SER A 73 -4.682 -8.658 -19.477 1.00 71.22 H new ATOM 1119 N ALA A 74 -5.658 -10.246 -15.327 1.00 54.43 N ATOM 1120 CA ALA A 74 -6.194 -11.559 -14.993 1.00 22.40 C ATOM 1121 C ALA A 74 -7.483 -11.438 -14.188 1.00 31.03 C ATOM 1122 O ALA A 74 -7.899 -10.337 -13.826 1.00 22.20 O ATOM 1123 CB ALA A 74 -5.162 -12.369 -14.222 1.00 20.20 C ATOM 0 H ALA A 74 -4.756 -10.037 -14.900 1.00 54.43 H new ATOM 0 HA ALA A 74 -6.426 -12.077 -15.924 1.00 22.40 H new ATOM 0 HB1 ALA A 74 -5.575 -13.348 -13.979 1.00 20.20 H new ATOM 0 HB2 ALA A 74 -4.268 -12.494 -14.833 1.00 20.20 H new ATOM 0 HB3 ALA A 74 -4.903 -11.846 -13.302 1.00 20.20 H new ATOM 1129 N ARG A 75 -8.112 -12.576 -13.911 1.00 42.20 N ATOM 1130 CA ARG A 75 -9.355 -12.596 -13.150 1.00 72.11 C ATOM 1131 C ARG A 75 -9.174 -13.345 -11.833 1.00 74.10 C ATOM 1132 O ARG A 75 -9.222 -12.750 -10.757 1.00 1.35 O ATOM 1133 CB ARG A 75 -10.470 -13.248 -13.971 1.00 4.22 C ATOM 1134 CG ARG A 75 -9.960 -14.182 -15.056 1.00 72.10 C ATOM 1135 CD ARG A 75 -11.018 -15.197 -15.459 1.00 55.24 C ATOM 1136 NE ARG A 75 -11.034 -16.355 -14.570 1.00 3.12 N ATOM 1137 CZ ARG A 75 -11.766 -17.441 -14.790 1.00 65.42 C ATOM 1138 NH1 ARG A 75 -12.537 -17.518 -15.866 1.00 13.14 N ATOM 1139 NH2 ARG A 75 -11.726 -18.454 -13.934 1.00 62.52 N ATOM 0 H ARG A 75 -7.781 -13.496 -14.202 1.00 42.20 H new ATOM 0 HA ARG A 75 -9.632 -11.566 -12.927 1.00 72.11 H new ATOM 0 HB2 ARG A 75 -11.124 -13.806 -13.301 1.00 4.22 H new ATOM 0 HB3 ARG A 75 -11.076 -12.467 -14.431 1.00 4.22 H new ATOM 0 HG2 ARG A 75 -9.662 -13.600 -15.928 1.00 72.10 H new ATOM 0 HG3 ARG A 75 -9.071 -14.703 -14.701 1.00 72.10 H new ATOM 0 HD2 ARG A 75 -11.998 -14.721 -15.451 1.00 55.24 H new ATOM 0 HD3 ARG A 75 -10.832 -15.527 -16.481 1.00 55.24 H new ATOM 0 HE ARG A 75 -10.451 -16.328 -13.734 1.00 3.12 H new ATOM 0 HH11 ARG A 75 -12.569 -16.742 -16.527 1.00 13.14 H new ATOM 0 HH12 ARG A 75 -13.098 -18.353 -16.033 1.00 13.14 H new ATOM 0 HH21 ARG A 75 -11.133 -18.399 -13.106 1.00 62.52 H new ATOM 0 HH22 ARG A 75 -12.289 -19.288 -14.104 1.00 62.52 H new ATOM 1153 N VAL A 76 -8.967 -14.655 -11.927 1.00 13.25 N ATOM 1154 CA VAL A 76 -8.779 -15.485 -10.743 1.00 61.41 C ATOM 1155 C VAL A 76 -8.049 -16.778 -11.090 1.00 21.23 C ATOM 1156 O VAL A 76 -8.003 -17.186 -12.251 1.00 71.20 O ATOM 1157 CB VAL A 76 -10.125 -15.831 -10.080 1.00 13.13 C ATOM 1158 CG1 VAL A 76 -10.612 -14.672 -9.224 1.00 10.34 C ATOM 1159 CG2 VAL A 76 -11.159 -16.197 -11.133 1.00 74.35 C ATOM 0 H VAL A 76 -8.925 -15.164 -12.810 1.00 13.25 H new ATOM 0 HA VAL A 76 -8.176 -14.906 -10.043 1.00 61.41 H new ATOM 0 HB VAL A 76 -9.979 -16.695 -9.431 1.00 13.13 H new ATOM 0 HG11 VAL A 76 -11.564 -14.935 -8.764 1.00 10.34 H new ATOM 0 HG12 VAL A 76 -9.879 -14.461 -8.446 1.00 10.34 H new ATOM 0 HG13 VAL A 76 -10.743 -13.788 -9.848 1.00 10.34 H new ATOM 0 HG21 VAL A 76 -12.104 -16.439 -10.646 1.00 74.35 H new ATOM 0 HG22 VAL A 76 -11.304 -15.354 -11.809 1.00 74.35 H new ATOM 0 HG23 VAL A 76 -10.811 -17.061 -11.699 1.00 74.35 H new ATOM 1169 N LEU A 77 -7.479 -17.420 -10.075 1.00 54.53 N ATOM 1170 CA LEU A 77 -6.751 -18.668 -10.272 1.00 20.12 C ATOM 1171 C LEU A 77 -7.657 -19.739 -10.871 1.00 13.21 C ATOM 1172 O LEU A 77 -8.882 -19.607 -10.864 1.00 43.33 O ATOM 1173 CB LEU A 77 -6.173 -19.158 -8.943 1.00 65.53 C ATOM 1174 CG LEU A 77 -5.236 -18.190 -8.221 1.00 0.44 C ATOM 1175 CD1 LEU A 77 -4.409 -18.925 -7.177 1.00 51.32 C ATOM 1176 CD2 LEU A 77 -4.331 -17.479 -9.217 1.00 34.11 C ATOM 0 H LEU A 77 -7.507 -17.096 -9.108 1.00 54.53 H new ATOM 0 HA LEU A 77 -5.935 -18.478 -10.969 1.00 20.12 H new ATOM 0 HB2 LEU A 77 -7.001 -19.396 -8.276 1.00 65.53 H new ATOM 0 HB3 LEU A 77 -5.633 -20.087 -9.125 1.00 65.53 H new ATOM 0 HG LEU A 77 -5.842 -17.440 -7.713 1.00 0.44 H new ATOM 0 HD11 LEU A 77 -3.748 -18.219 -6.674 1.00 51.32 H new ATOM 0 HD12 LEU A 77 -5.073 -19.386 -6.445 1.00 51.32 H new ATOM 0 HD13 LEU A 77 -3.813 -19.697 -7.663 1.00 51.32 H new ATOM 0 HD21 LEU A 77 -3.671 -16.794 -8.684 1.00 34.11 H new ATOM 0 HD22 LEU A 77 -3.733 -18.215 -9.755 1.00 34.11 H new ATOM 0 HD23 LEU A 77 -4.940 -16.918 -9.926 1.00 34.11 H new ATOM 1188 N THR A 78 -7.048 -20.802 -11.387 1.00 41.54 N ATOM 1189 CA THR A 78 -7.799 -21.896 -11.989 1.00 51.34 C ATOM 1190 C THR A 78 -7.572 -23.200 -11.234 1.00 25.01 C ATOM 1191 O THR A 78 -6.991 -23.207 -10.148 1.00 41.55 O ATOM 1192 CB THR A 78 -7.412 -22.097 -13.467 1.00 23.14 C ATOM 1193 OG1 THR A 78 -6.348 -23.051 -13.569 1.00 14.23 O ATOM 1194 CG2 THR A 78 -6.982 -20.781 -14.098 1.00 21.34 C ATOM 0 H THR A 78 -6.036 -20.928 -11.400 1.00 41.54 H new ATOM 0 HA THR A 78 -8.853 -21.625 -11.931 1.00 51.34 H new ATOM 0 HB THR A 78 -8.286 -22.469 -14.001 1.00 23.14 H new ATOM 0 HG1 THR A 78 -6.109 -23.175 -14.511 1.00 14.23 H new ATOM 0 HG21 THR A 78 -6.714 -20.948 -15.141 1.00 21.34 H new ATOM 0 HG22 THR A 78 -7.803 -20.066 -14.045 1.00 21.34 H new ATOM 0 HG23 THR A 78 -6.121 -20.384 -13.561 1.00 21.34 H new ATOM 1202 N SER A 79 -8.032 -24.303 -11.815 1.00 21.30 N ATOM 1203 CA SER A 79 -7.881 -25.614 -11.194 1.00 61.13 C ATOM 1204 C SER A 79 -6.457 -26.134 -11.363 1.00 64.30 C ATOM 1205 O SER A 79 -6.243 -27.245 -11.847 1.00 73.40 O ATOM 1206 CB SER A 79 -8.874 -26.607 -11.802 1.00 1.11 C ATOM 1207 OG SER A 79 -10.208 -26.157 -11.641 1.00 40.10 O ATOM 0 H SER A 79 -8.512 -24.315 -12.715 1.00 21.30 H new ATOM 0 HA SER A 79 -8.088 -25.510 -10.129 1.00 61.13 H new ATOM 0 HB2 SER A 79 -8.657 -26.740 -12.862 1.00 1.11 H new ATOM 0 HB3 SER A 79 -8.756 -27.581 -11.328 1.00 1.11 H new ATOM 0 HG SER A 79 -10.823 -26.808 -12.039 1.00 40.10 H new ATOM 1213 N ALA A 80 -5.485 -25.322 -10.960 1.00 12.10 N ATOM 1214 CA ALA A 80 -4.081 -25.700 -11.064 1.00 52.51 C ATOM 1215 C ALA A 80 -3.184 -24.668 -10.388 1.00 62.50 C ATOM 1216 O ALA A 80 -2.187 -25.019 -9.758 1.00 45.12 O ATOM 1217 CB ALA A 80 -3.687 -25.869 -12.524 1.00 10.21 C ATOM 0 H ALA A 80 -5.644 -24.398 -10.558 1.00 12.10 H new ATOM 0 HA ALA A 80 -3.947 -26.652 -10.550 1.00 52.51 H new ATOM 0 HB1 ALA A 80 -2.636 -26.151 -12.587 1.00 10.21 H new ATOM 0 HB2 ALA A 80 -4.300 -26.648 -12.978 1.00 10.21 H new ATOM 0 HB3 ALA A 80 -3.843 -24.929 -13.054 1.00 10.21 H new ATOM 1223 N GLU A 81 -3.545 -23.396 -10.524 1.00 61.31 N ATOM 1224 CA GLU A 81 -2.770 -22.315 -9.927 1.00 12.01 C ATOM 1225 C GLU A 81 -3.030 -22.224 -8.426 1.00 23.21 C ATOM 1226 O GLU A 81 -2.098 -22.114 -7.628 1.00 12.20 O ATOM 1227 CB GLU A 81 -3.113 -20.982 -10.596 1.00 63.33 C ATOM 1228 CG GLU A 81 -3.213 -21.069 -12.110 1.00 24.51 C ATOM 1229 CD GLU A 81 -2.837 -19.770 -12.795 1.00 63.01 C ATOM 1230 OE1 GLU A 81 -1.696 -19.302 -12.596 1.00 54.11 O ATOM 1231 OE2 GLU A 81 -3.684 -19.222 -13.531 1.00 42.50 O ATOM 0 H GLU A 81 -4.368 -23.089 -11.042 1.00 61.31 H new ATOM 0 HA GLU A 81 -1.713 -22.531 -10.083 1.00 12.01 H new ATOM 0 HB2 GLU A 81 -4.060 -20.618 -10.198 1.00 63.33 H new ATOM 0 HB3 GLU A 81 -2.353 -20.246 -10.332 1.00 63.33 H new ATOM 0 HG2 GLU A 81 -2.561 -21.866 -12.468 1.00 24.51 H new ATOM 0 HG3 GLU A 81 -4.231 -21.341 -12.388 1.00 24.51 H new ATOM 1238 N THR A 82 -4.303 -22.271 -8.048 1.00 14.05 N ATOM 1239 CA THR A 82 -4.687 -22.192 -6.644 1.00 31.42 C ATOM 1240 C THR A 82 -4.245 -23.437 -5.882 1.00 50.15 C ATOM 1241 O THR A 82 -3.886 -23.364 -4.707 1.00 41.31 O ATOM 1242 CB THR A 82 -6.210 -22.022 -6.486 1.00 61.13 C ATOM 1243 OG1 THR A 82 -6.795 -21.664 -7.743 1.00 74.51 O ATOM 1244 CG2 THR A 82 -6.531 -20.956 -5.450 1.00 1.12 C ATOM 0 H THR A 82 -5.086 -22.363 -8.695 1.00 14.05 H new ATOM 0 HA THR A 82 -4.186 -21.317 -6.229 1.00 31.42 H new ATOM 0 HB THR A 82 -6.627 -22.971 -6.148 1.00 61.13 H new ATOM 0 HG1 THR A 82 -7.763 -21.559 -7.635 1.00 74.51 H new ATOM 0 HG21 THR A 82 -7.612 -20.854 -5.356 1.00 1.12 H new ATOM 0 HG22 THR A 82 -6.109 -21.245 -4.488 1.00 1.12 H new ATOM 0 HG23 THR A 82 -6.103 -20.004 -5.763 1.00 1.12 H new ATOM 1252 N LYS A 83 -4.273 -24.580 -6.559 1.00 44.24 N ATOM 1253 CA LYS A 83 -3.873 -25.842 -5.948 1.00 43.30 C ATOM 1254 C LYS A 83 -2.359 -25.904 -5.770 1.00 31.32 C ATOM 1255 O LYS A 83 -1.865 -26.265 -4.702 1.00 60.11 O ATOM 1256 CB LYS A 83 -4.345 -27.019 -6.804 1.00 33.12 C ATOM 1257 CG LYS A 83 -5.838 -27.005 -7.087 1.00 45.10 C ATOM 1258 CD LYS A 83 -6.629 -27.605 -5.937 1.00 71.12 C ATOM 1259 CE LYS A 83 -8.107 -27.722 -6.279 1.00 24.10 C ATOM 1260 NZ LYS A 83 -8.694 -26.408 -6.660 1.00 3.44 N ATOM 0 H LYS A 83 -4.569 -24.658 -7.532 1.00 44.24 H new ATOM 0 HA LYS A 83 -4.340 -25.905 -4.965 1.00 43.30 H new ATOM 0 HB2 LYS A 83 -3.804 -27.009 -7.750 1.00 33.12 H new ATOM 0 HB3 LYS A 83 -4.088 -27.950 -6.300 1.00 33.12 H new ATOM 0 HG2 LYS A 83 -6.167 -25.980 -7.260 1.00 45.10 H new ATOM 0 HG3 LYS A 83 -6.041 -27.564 -8.000 1.00 45.10 H new ATOM 0 HD2 LYS A 83 -6.231 -28.591 -5.695 1.00 71.12 H new ATOM 0 HD3 LYS A 83 -6.508 -26.986 -5.048 1.00 71.12 H new ATOM 0 HE2 LYS A 83 -8.235 -28.428 -7.099 1.00 24.10 H new ATOM 0 HE3 LYS A 83 -8.647 -28.126 -5.423 1.00 24.10 H new ATOM 0 HZ1 LYS A 83 -9.727 -26.499 -6.737 1.00 3.44 H new ATOM 0 HZ2 LYS A 83 -8.462 -25.700 -5.934 1.00 3.44 H new ATOM 0 HZ3 LYS A 83 -8.304 -26.106 -7.575 1.00 3.44 H new ATOM 1274 N ALA A 84 -1.629 -25.549 -6.822 1.00 22.41 N ATOM 1275 CA ALA A 84 -0.172 -25.562 -6.780 1.00 21.13 C ATOM 1276 C ALA A 84 0.360 -24.482 -5.843 1.00 73.42 C ATOM 1277 O ALA A 84 1.550 -24.450 -5.529 1.00 34.02 O ATOM 1278 CB ALA A 84 0.398 -25.378 -8.178 1.00 42.23 C ATOM 0 H ALA A 84 -2.023 -25.249 -7.714 1.00 22.41 H new ATOM 0 HA ALA A 84 0.147 -26.530 -6.394 1.00 21.13 H new ATOM 0 HB1 ALA A 84 1.487 -25.390 -8.131 1.00 42.23 H new ATOM 0 HB2 ALA A 84 0.054 -26.188 -8.821 1.00 42.23 H new ATOM 0 HB3 ALA A 84 0.063 -24.424 -8.585 1.00 42.23 H new ATOM 1284 N PHE A 85 -0.529 -23.599 -5.401 1.00 73.10 N ATOM 1285 CA PHE A 85 -0.149 -22.516 -4.501 1.00 61.34 C ATOM 1286 C PHE A 85 -0.586 -22.819 -3.071 1.00 43.30 C ATOM 1287 O PHE A 85 0.191 -22.668 -2.127 1.00 43.12 O ATOM 1288 CB PHE A 85 -0.767 -21.197 -4.967 1.00 53.44 C ATOM 1289 CG PHE A 85 -0.253 -19.998 -4.223 1.00 13.23 C ATOM 1290 CD1 PHE A 85 1.011 -19.494 -4.482 1.00 61.22 C ATOM 1291 CD2 PHE A 85 -1.034 -19.375 -3.263 1.00 14.23 C ATOM 1292 CE1 PHE A 85 1.487 -18.391 -3.799 1.00 42.10 C ATOM 1293 CE2 PHE A 85 -0.564 -18.271 -2.577 1.00 20.03 C ATOM 1294 CZ PHE A 85 0.699 -17.779 -2.844 1.00 72.32 C ATOM 0 H PHE A 85 -1.518 -23.612 -5.651 1.00 73.10 H new ATOM 0 HA PHE A 85 0.937 -22.426 -4.519 1.00 61.34 H new ATOM 0 HB2 PHE A 85 -0.568 -21.067 -6.031 1.00 53.44 H new ATOM 0 HB3 PHE A 85 -1.849 -21.251 -4.850 1.00 53.44 H new ATOM 0 HD1 PHE A 85 1.632 -19.969 -5.227 1.00 61.22 H new ATOM 0 HD2 PHE A 85 -2.021 -19.756 -3.048 1.00 14.23 H new ATOM 0 HE1 PHE A 85 2.474 -18.008 -4.012 1.00 42.10 H new ATOM 0 HE2 PHE A 85 -1.184 -17.793 -1.833 1.00 20.03 H new ATOM 0 HZ PHE A 85 1.069 -16.918 -2.307 1.00 72.32 H new ATOM 1304 N LEU A 86 -1.834 -23.246 -2.918 1.00 53.31 N ATOM 1305 CA LEU A 86 -2.377 -23.569 -1.603 1.00 64.41 C ATOM 1306 C LEU A 86 -1.672 -24.784 -1.007 1.00 42.23 C ATOM 1307 O LEU A 86 -1.136 -24.722 0.099 1.00 72.21 O ATOM 1308 CB LEU A 86 -3.880 -23.835 -1.701 1.00 1.02 C ATOM 1309 CG LEU A 86 -4.685 -23.613 -0.420 1.00 54.53 C ATOM 1310 CD1 LEU A 86 -6.099 -23.159 -0.751 1.00 20.41 C ATOM 1311 CD2 LEU A 86 -4.713 -24.881 0.420 1.00 62.13 C ATOM 0 H LEU A 86 -2.490 -23.377 -3.688 1.00 53.31 H new ATOM 0 HA LEU A 86 -2.208 -22.715 -0.947 1.00 64.41 H new ATOM 0 HB2 LEU A 86 -4.292 -23.195 -2.481 1.00 1.02 H new ATOM 0 HB3 LEU A 86 -4.026 -24.866 -2.024 1.00 1.02 H new ATOM 0 HG LEU A 86 -4.199 -22.828 0.160 1.00 54.53 H new ATOM 0 HD11 LEU A 86 -6.658 -23.006 0.172 1.00 20.41 H new ATOM 0 HD12 LEU A 86 -6.059 -22.224 -1.310 1.00 20.41 H new ATOM 0 HD13 LEU A 86 -6.594 -23.921 -1.352 1.00 20.41 H new ATOM 0 HD21 LEU A 86 -5.290 -24.704 1.327 1.00 62.13 H new ATOM 0 HD22 LEU A 86 -5.174 -25.686 -0.152 1.00 62.13 H new ATOM 0 HD23 LEU A 86 -3.695 -25.163 0.687 1.00 62.13 H new ATOM 1323 N ALA A 87 -1.674 -25.886 -1.749 1.00 75.35 N ATOM 1324 CA ALA A 87 -1.032 -27.114 -1.297 1.00 2.34 C ATOM 1325 C ALA A 87 0.477 -26.931 -1.178 1.00 25.44 C ATOM 1326 O ALA A 87 1.167 -27.757 -0.580 1.00 34.24 O ATOM 1327 CB ALA A 87 -1.354 -28.259 -2.245 1.00 21.00 C ATOM 0 H ALA A 87 -2.114 -25.954 -2.667 1.00 75.35 H new ATOM 0 HA ALA A 87 -1.422 -27.356 -0.308 1.00 2.34 H new ATOM 0 HB1 ALA A 87 -0.868 -29.169 -1.894 1.00 21.00 H new ATOM 0 HB2 ALA A 87 -2.433 -28.413 -2.277 1.00 21.00 H new ATOM 0 HB3 ALA A 87 -0.993 -28.016 -3.244 1.00 21.00 H new ATOM 1333 N ALA A 88 0.985 -25.845 -1.751 1.00 72.33 N ATOM 1334 CA ALA A 88 2.412 -25.554 -1.708 1.00 64.51 C ATOM 1335 C ALA A 88 2.739 -24.572 -0.588 1.00 71.24 C ATOM 1336 O ALA A 88 3.847 -24.572 -0.053 1.00 54.42 O ATOM 1337 CB ALA A 88 2.880 -25.005 -3.048 1.00 30.23 C ATOM 0 H ALA A 88 0.428 -25.152 -2.251 1.00 72.33 H new ATOM 0 HA ALA A 88 2.941 -26.485 -1.505 1.00 64.51 H new ATOM 0 HB1 ALA A 88 3.948 -24.792 -3.001 1.00 30.23 H new ATOM 0 HB2 ALA A 88 2.691 -25.741 -3.829 1.00 30.23 H new ATOM 0 HB3 ALA A 88 2.337 -24.088 -3.275 1.00 30.23 H new ATOM 1343 N GLY A 89 1.766 -23.735 -0.239 1.00 65.30 N ATOM 1344 CA GLY A 89 1.971 -22.759 0.815 1.00 41.32 C ATOM 1345 C GLY A 89 1.450 -23.235 2.156 1.00 31.30 C ATOM 1346 O GLY A 89 2.194 -23.289 3.135 1.00 21.13 O ATOM 0 H GLY A 89 0.840 -23.716 -0.667 1.00 65.30 H new ATOM 0 HA2 GLY A 89 3.035 -22.539 0.900 1.00 41.32 H new ATOM 0 HA3 GLY A 89 1.473 -21.828 0.545 1.00 41.32 H new ATOM 1350 N ASP A 90 0.168 -23.580 2.202 1.00 71.41 N ATOM 1351 CA ASP A 90 -0.453 -24.054 3.434 1.00 63.35 C ATOM 1352 C ASP A 90 0.363 -25.185 4.053 1.00 51.11 C ATOM 1353 O ASP A 90 0.318 -26.325 3.588 1.00 2.44 O ATOM 1354 CB ASP A 90 -1.881 -24.529 3.160 1.00 23.23 C ATOM 1355 CG ASP A 90 -2.410 -25.432 4.257 1.00 72.43 C ATOM 1356 OD1 ASP A 90 -2.335 -25.037 5.439 1.00 31.43 O ATOM 1357 OD2 ASP A 90 -2.900 -26.534 3.932 1.00 15.13 O ATOM 0 H ASP A 90 -0.462 -23.540 1.401 1.00 71.41 H new ATOM 0 HA ASP A 90 -0.484 -23.224 4.140 1.00 63.35 H new ATOM 0 HB2 ASP A 90 -2.536 -23.663 3.058 1.00 23.23 H new ATOM 0 HB3 ASP A 90 -1.908 -25.062 2.210 1.00 23.23 H new ATOM 1362 N THR A 91 1.109 -24.862 5.105 1.00 65.14 N ATOM 1363 CA THR A 91 1.937 -25.849 5.786 1.00 30.24 C ATOM 1364 C THR A 91 1.280 -26.319 7.079 1.00 1.54 C ATOM 1365 O THR A 91 1.486 -27.451 7.516 1.00 71.22 O ATOM 1366 CB THR A 91 3.334 -25.285 6.109 1.00 74.13 C ATOM 1367 OG1 THR A 91 3.217 -24.163 6.991 1.00 62.22 O ATOM 1368 CG2 THR A 91 4.054 -24.864 4.837 1.00 71.03 C ATOM 0 H THR A 91 1.156 -23.924 5.504 1.00 65.14 H new ATOM 0 HA THR A 91 2.043 -26.695 5.107 1.00 30.24 H new ATOM 0 HB THR A 91 3.915 -26.069 6.594 1.00 74.13 H new ATOM 0 HG1 THR A 91 4.109 -23.811 7.193 1.00 62.22 H new ATOM 0 HG21 THR A 91 5.038 -24.469 5.090 1.00 71.03 H new ATOM 0 HG22 THR A 91 4.167 -25.727 4.180 1.00 71.03 H new ATOM 0 HG23 THR A 91 3.474 -24.094 4.328 1.00 71.03 H new ATOM 1376 N ASP A 92 0.489 -25.442 7.688 1.00 52.25 N ATOM 1377 CA ASP A 92 -0.200 -25.768 8.931 1.00 53.52 C ATOM 1378 C ASP A 92 -1.285 -26.813 8.693 1.00 60.51 C ATOM 1379 O ASP A 92 -1.640 -27.571 9.595 1.00 2.11 O ATOM 1380 CB ASP A 92 -0.815 -24.508 9.543 1.00 5.15 C ATOM 1381 CG ASP A 92 -0.953 -24.605 11.050 1.00 32.40 C ATOM 1382 OD1 ASP A 92 -0.984 -25.740 11.571 1.00 23.13 O ATOM 1383 OD2 ASP A 92 -1.030 -23.547 11.708 1.00 73.00 O ATOM 0 H ASP A 92 0.309 -24.500 7.341 1.00 52.25 H new ATOM 0 HA ASP A 92 0.531 -26.181 9.625 1.00 53.52 H new ATOM 0 HB2 ASP A 92 -0.196 -23.646 9.292 1.00 5.15 H new ATOM 0 HB3 ASP A 92 -1.796 -24.335 9.101 1.00 5.15 H new ATOM 1388 N GLY A 93 -1.809 -26.848 7.471 1.00 30.23 N ATOM 1389 CA GLY A 93 -2.849 -27.804 7.137 1.00 1.22 C ATOM 1390 C GLY A 93 -4.205 -27.397 7.677 1.00 15.12 C ATOM 1391 O GLY A 93 -4.751 -28.055 8.563 1.00 13.22 O ATOM 0 H GLY A 93 -1.532 -26.232 6.707 1.00 30.23 H new ATOM 0 HA2 GLY A 93 -2.909 -27.907 6.054 1.00 1.22 H new ATOM 0 HA3 GLY A 93 -2.581 -28.782 7.536 1.00 1.22 H new ATOM 1395 N ASP A 94 -4.751 -26.309 7.144 1.00 25.02 N ATOM 1396 CA ASP A 94 -6.052 -25.814 7.579 1.00 62.54 C ATOM 1397 C ASP A 94 -6.844 -25.260 6.399 1.00 71.45 C ATOM 1398 O ASP A 94 -7.798 -24.505 6.578 1.00 13.03 O ATOM 1399 CB ASP A 94 -5.880 -24.733 8.646 1.00 2.12 C ATOM 1400 CG ASP A 94 -7.169 -24.442 9.389 1.00 52.14 C ATOM 1401 OD1 ASP A 94 -7.509 -25.213 10.310 1.00 14.52 O ATOM 1402 OD2 ASP A 94 -7.838 -23.444 9.047 1.00 35.14 O ATOM 0 H ASP A 94 -4.313 -25.753 6.410 1.00 25.02 H new ATOM 0 HA ASP A 94 -6.607 -26.649 8.006 1.00 62.54 H new ATOM 0 HB2 ASP A 94 -5.117 -25.048 9.358 1.00 2.12 H new ATOM 0 HB3 ASP A 94 -5.520 -23.817 8.177 1.00 2.12 H new ATOM 1407 N GLY A 95 -6.441 -25.641 5.190 1.00 5.01 N ATOM 1408 CA GLY A 95 -7.123 -25.172 3.998 1.00 3.22 C ATOM 1409 C GLY A 95 -6.977 -23.676 3.798 1.00 72.43 C ATOM 1410 O GLY A 95 -7.787 -23.052 3.112 1.00 34.22 O ATOM 0 H GLY A 95 -5.654 -26.266 5.015 1.00 5.01 H new ATOM 0 HA2 GLY A 95 -6.725 -25.693 3.127 1.00 3.22 H new ATOM 0 HA3 GLY A 95 -8.181 -25.425 4.065 1.00 3.22 H new ATOM 1414 N LYS A 96 -5.942 -23.098 4.398 1.00 34.43 N ATOM 1415 CA LYS A 96 -5.692 -21.667 4.283 1.00 14.44 C ATOM 1416 C LYS A 96 -4.201 -21.365 4.386 1.00 43.24 C ATOM 1417 O LYS A 96 -3.397 -22.252 4.673 1.00 21.22 O ATOM 1418 CB LYS A 96 -6.453 -20.906 5.372 1.00 31.21 C ATOM 1419 CG LYS A 96 -7.906 -21.327 5.505 1.00 14.04 C ATOM 1420 CD LYS A 96 -8.600 -20.585 6.636 1.00 72.52 C ATOM 1421 CE LYS A 96 -9.819 -21.346 7.136 1.00 50.23 C ATOM 1422 NZ LYS A 96 -10.809 -20.442 7.784 1.00 51.21 N ATOM 0 H LYS A 96 -5.262 -23.600 4.969 1.00 34.43 H new ATOM 0 HA LYS A 96 -6.045 -21.340 3.305 1.00 14.44 H new ATOM 0 HB2 LYS A 96 -5.951 -21.057 6.328 1.00 31.21 H new ATOM 0 HB3 LYS A 96 -6.411 -19.839 5.155 1.00 31.21 H new ATOM 0 HG2 LYS A 96 -8.429 -21.135 4.568 1.00 14.04 H new ATOM 0 HG3 LYS A 96 -7.960 -22.401 5.686 1.00 14.04 H new ATOM 0 HD2 LYS A 96 -7.900 -20.436 7.458 1.00 72.52 H new ATOM 0 HD3 LYS A 96 -8.903 -19.596 6.292 1.00 72.52 H new ATOM 0 HE2 LYS A 96 -10.292 -21.864 6.301 1.00 50.23 H new ATOM 0 HE3 LYS A 96 -9.504 -22.109 7.847 1.00 50.23 H new ATOM 0 HZ1 LYS A 96 -11.314 -20.959 8.532 1.00 51.21 H new ATOM 0 HZ2 LYS A 96 -10.315 -19.627 8.200 1.00 51.21 H new ATOM 0 HZ3 LYS A 96 -11.491 -20.107 7.073 1.00 51.21 H new ATOM 1436 N ILE A 97 -3.838 -20.108 4.150 1.00 74.41 N ATOM 1437 CA ILE A 97 -2.444 -19.690 4.218 1.00 23.43 C ATOM 1438 C ILE A 97 -2.307 -18.345 4.922 1.00 0.42 C ATOM 1439 O ILE A 97 -2.899 -17.350 4.504 1.00 64.42 O ATOM 1440 CB ILE A 97 -1.817 -19.589 2.815 1.00 22.12 C ATOM 1441 CG1 ILE A 97 -1.684 -20.980 2.191 1.00 44.43 C ATOM 1442 CG2 ILE A 97 -0.461 -18.904 2.889 1.00 3.41 C ATOM 1443 CD1 ILE A 97 -1.072 -20.965 0.807 1.00 2.43 C ATOM 0 H ILE A 97 -4.491 -19.362 3.910 1.00 74.41 H new ATOM 0 HA ILE A 97 -1.914 -20.452 4.790 1.00 23.43 H new ATOM 0 HB ILE A 97 -2.471 -18.989 2.183 1.00 22.12 H new ATOM 0 HG12 ILE A 97 -1.074 -21.605 2.843 1.00 44.43 H new ATOM 0 HG13 ILE A 97 -2.670 -21.442 2.139 1.00 44.43 H new ATOM 0 HG21 ILE A 97 -0.031 -18.840 1.890 1.00 3.41 H new ATOM 0 HG22 ILE A 97 -0.582 -17.900 3.297 1.00 3.41 H new ATOM 0 HG23 ILE A 97 0.203 -19.480 3.534 1.00 3.41 H new ATOM 0 HD11 ILE A 97 -1.008 -21.984 0.426 1.00 2.43 H new ATOM 0 HD12 ILE A 97 -1.694 -20.367 0.141 1.00 2.43 H new ATOM 0 HD13 ILE A 97 -0.073 -20.533 0.856 1.00 2.43 H new ATOM 1455 N GLY A 98 -1.520 -18.321 5.994 1.00 15.41 N ATOM 1456 CA GLY A 98 -1.318 -17.091 6.738 1.00 34.35 C ATOM 1457 C GLY A 98 -0.063 -16.356 6.314 1.00 63.13 C ATOM 1458 O GLY A 98 0.084 -15.985 5.149 1.00 1.42 O ATOM 0 H GLY A 98 -1.019 -19.131 6.360 1.00 15.41 H new ATOM 0 HA2 GLY A 98 -2.181 -16.440 6.599 1.00 34.35 H new ATOM 0 HA3 GLY A 98 -1.259 -17.319 7.802 1.00 34.35 H new ATOM 1462 N VAL A 99 0.846 -16.143 7.261 1.00 73.54 N ATOM 1463 CA VAL A 99 2.095 -15.447 6.979 1.00 62.03 C ATOM 1464 C VAL A 99 3.284 -16.399 7.051 1.00 35.31 C ATOM 1465 O VAL A 99 4.040 -16.537 6.090 1.00 32.13 O ATOM 1466 CB VAL A 99 2.323 -14.283 7.962 1.00 63.33 C ATOM 1467 CG1 VAL A 99 2.145 -12.947 7.258 1.00 51.22 C ATOM 1468 CG2 VAL A 99 1.382 -14.399 9.151 1.00 53.21 C ATOM 0 H VAL A 99 0.740 -16.443 8.230 1.00 73.54 H new ATOM 0 HA VAL A 99 2.014 -15.049 5.968 1.00 62.03 H new ATOM 0 HB VAL A 99 3.347 -14.337 8.332 1.00 63.33 H new ATOM 0 HG11 VAL A 99 2.310 -12.137 7.968 1.00 51.22 H new ATOM 0 HG12 VAL A 99 2.864 -12.867 6.443 1.00 51.22 H new ATOM 0 HG13 VAL A 99 1.133 -12.879 6.858 1.00 51.22 H new ATOM 0 HG21 VAL A 99 1.557 -13.569 9.835 1.00 53.21 H new ATOM 0 HG22 VAL A 99 0.350 -14.371 8.802 1.00 53.21 H new ATOM 0 HG23 VAL A 99 1.564 -15.341 9.669 1.00 53.21 H new ATOM 1478 N GLU A 100 3.441 -17.055 8.197 1.00 50.50 N ATOM 1479 CA GLU A 100 4.538 -17.994 8.394 1.00 24.33 C ATOM 1480 C GLU A 100 4.538 -19.066 7.308 1.00 24.44 C ATOM 1481 O GLU A 100 5.579 -19.642 6.991 1.00 54.34 O ATOM 1482 CB GLU A 100 4.437 -18.649 9.773 1.00 35.42 C ATOM 1483 CG GLU A 100 5.535 -18.223 10.733 1.00 52.45 C ATOM 1484 CD GLU A 100 6.924 -18.466 10.175 1.00 33.50 C ATOM 1485 OE1 GLU A 100 7.123 -19.504 9.509 1.00 33.15 O ATOM 1486 OE2 GLU A 100 7.812 -17.619 10.405 1.00 53.35 O ATOM 0 H GLU A 100 2.823 -16.953 9.002 1.00 50.50 H new ATOM 0 HA GLU A 100 5.474 -17.438 8.332 1.00 24.33 H new ATOM 0 HB2 GLU A 100 3.469 -18.406 10.211 1.00 35.42 H new ATOM 0 HB3 GLU A 100 4.470 -19.732 9.654 1.00 35.42 H new ATOM 0 HG2 GLU A 100 5.420 -17.164 10.964 1.00 52.45 H new ATOM 0 HG3 GLU A 100 5.424 -18.767 11.671 1.00 52.45 H new ATOM 1493 N GLU A 101 3.364 -19.329 6.744 1.00 33.12 N ATOM 1494 CA GLU A 101 3.228 -20.333 5.695 1.00 2.13 C ATOM 1495 C GLU A 101 3.467 -19.718 4.319 1.00 3.24 C ATOM 1496 O GLU A 101 3.807 -20.417 3.365 1.00 61.32 O ATOM 1497 CB GLU A 101 1.839 -20.971 5.746 1.00 34.51 C ATOM 1498 CG GLU A 101 1.394 -21.352 7.149 1.00 44.25 C ATOM 1499 CD GLU A 101 -0.034 -21.859 7.191 1.00 62.44 C ATOM 1500 OE1 GLU A 101 -0.282 -22.972 6.681 1.00 74.30 O ATOM 1501 OE2 GLU A 101 -0.902 -21.145 7.732 1.00 15.43 O ATOM 0 H GLU A 101 2.493 -18.861 6.996 1.00 33.12 H new ATOM 0 HA GLU A 101 3.980 -21.103 5.865 1.00 2.13 H new ATOM 0 HB2 GLU A 101 1.114 -20.277 5.320 1.00 34.51 H new ATOM 0 HB3 GLU A 101 1.835 -21.862 5.118 1.00 34.51 H new ATOM 0 HG2 GLU A 101 2.060 -22.121 7.541 1.00 44.25 H new ATOM 0 HG3 GLU A 101 1.487 -20.485 7.803 1.00 44.25 H new ATOM 1508 N PHE A 102 3.287 -18.405 4.225 1.00 13.44 N ATOM 1509 CA PHE A 102 3.481 -17.694 2.967 1.00 72.43 C ATOM 1510 C PHE A 102 4.963 -17.608 2.614 1.00 71.11 C ATOM 1511 O PHE A 102 5.403 -18.155 1.603 1.00 21.44 O ATOM 1512 CB PHE A 102 2.883 -16.289 3.052 1.00 12.43 C ATOM 1513 CG PHE A 102 2.908 -15.546 1.747 1.00 1.21 C ATOM 1514 CD1 PHE A 102 1.938 -15.775 0.785 1.00 33.42 C ATOM 1515 CD2 PHE A 102 3.903 -14.618 1.482 1.00 72.41 C ATOM 1516 CE1 PHE A 102 1.958 -15.093 -0.417 1.00 31.31 C ATOM 1517 CE2 PHE A 102 3.928 -13.933 0.282 1.00 31.00 C ATOM 1518 CZ PHE A 102 2.955 -14.172 -0.669 1.00 41.40 C ATOM 0 H PHE A 102 3.007 -17.811 5.006 1.00 13.44 H new ATOM 0 HA PHE A 102 2.970 -18.251 2.182 1.00 72.43 H new ATOM 0 HB2 PHE A 102 1.852 -16.362 3.399 1.00 12.43 H new ATOM 0 HB3 PHE A 102 3.431 -15.714 3.799 1.00 12.43 H new ATOM 0 HD1 PHE A 102 1.156 -16.495 0.977 1.00 33.42 H new ATOM 0 HD2 PHE A 102 4.667 -14.428 2.221 1.00 72.41 H new ATOM 0 HE1 PHE A 102 1.195 -15.280 -1.158 1.00 31.31 H new ATOM 0 HE2 PHE A 102 4.708 -13.211 0.088 1.00 31.00 H new ATOM 0 HZ PHE A 102 2.974 -13.639 -1.608 1.00 41.40 H new ATOM 1528 N GLN A 103 5.726 -16.916 3.454 1.00 32.52 N ATOM 1529 CA GLN A 103 7.158 -16.757 3.231 1.00 72.24 C ATOM 1530 C GLN A 103 7.841 -18.114 3.093 1.00 4.41 C ATOM 1531 O GLN A 103 8.884 -18.232 2.450 1.00 42.32 O ATOM 1532 CB GLN A 103 7.790 -15.968 4.378 1.00 20.25 C ATOM 1533 CG GLN A 103 7.470 -16.532 5.753 1.00 32.33 C ATOM 1534 CD GLN A 103 8.132 -15.753 6.873 1.00 53.05 C ATOM 1535 OE1 GLN A 103 9.316 -15.937 7.157 1.00 74.00 O ATOM 1536 NE2 GLN A 103 7.369 -14.876 7.515 1.00 44.32 N ATOM 0 H GLN A 103 5.376 -16.457 4.295 1.00 32.52 H new ATOM 0 HA GLN A 103 7.297 -16.205 2.301 1.00 72.24 H new ATOM 0 HB2 GLN A 103 8.872 -15.951 4.244 1.00 20.25 H new ATOM 0 HB3 GLN A 103 7.447 -14.935 4.329 1.00 20.25 H new ATOM 0 HG2 GLN A 103 6.390 -16.527 5.901 1.00 32.33 H new ATOM 0 HG3 GLN A 103 7.793 -17.572 5.799 1.00 32.33 H new ATOM 0 HE21 GLN A 103 6.392 -14.756 7.246 1.00 44.32 H new ATOM 0 HE22 GLN A 103 7.759 -14.322 8.277 1.00 44.32 H new ATOM 1545 N SER A 104 7.247 -19.135 3.702 1.00 1.20 N ATOM 1546 CA SER A 104 7.801 -20.483 3.651 1.00 42.30 C ATOM 1547 C SER A 104 7.708 -21.055 2.240 1.00 62.21 C ATOM 1548 O SER A 104 8.314 -22.083 1.933 1.00 35.20 O ATOM 1549 CB SER A 104 7.067 -21.396 4.634 1.00 75.42 C ATOM 1550 OG SER A 104 7.693 -22.665 4.717 1.00 41.32 O ATOM 0 H SER A 104 6.382 -19.055 4.237 1.00 1.20 H new ATOM 0 HA SER A 104 8.852 -20.429 3.933 1.00 42.30 H new ATOM 0 HB2 SER A 104 7.047 -20.932 5.620 1.00 75.42 H new ATOM 0 HB3 SER A 104 6.031 -21.518 4.318 1.00 75.42 H new ATOM 0 HG SER A 104 8.226 -22.820 3.910 1.00 41.32 H new ATOM 1556 N LEU A 105 6.946 -20.383 1.385 1.00 52.23 N ATOM 1557 CA LEU A 105 6.772 -20.823 0.005 1.00 62.12 C ATOM 1558 C LEU A 105 7.559 -19.935 -0.953 1.00 50.35 C ATOM 1559 O LEU A 105 8.179 -20.420 -1.899 1.00 64.44 O ATOM 1560 CB LEU A 105 5.290 -20.812 -0.372 1.00 53.12 C ATOM 1561 CG LEU A 105 4.971 -21.035 -1.851 1.00 45.21 C ATOM 1562 CD1 LEU A 105 3.639 -21.751 -2.008 1.00 51.43 C ATOM 1563 CD2 LEU A 105 4.959 -19.710 -2.600 1.00 11.15 C ATOM 0 H LEU A 105 6.438 -19.531 1.623 1.00 52.23 H new ATOM 0 HA LEU A 105 7.153 -21.841 -0.076 1.00 62.12 H new ATOM 0 HB2 LEU A 105 4.782 -21.582 0.209 1.00 53.12 H new ATOM 0 HB3 LEU A 105 4.866 -19.854 -0.070 1.00 53.12 H new ATOM 0 HG LEU A 105 5.751 -21.665 -2.280 1.00 45.21 H new ATOM 0 HD11 LEU A 105 3.429 -21.901 -3.067 1.00 51.43 H new ATOM 0 HD12 LEU A 105 3.684 -22.718 -1.507 1.00 51.43 H new ATOM 0 HD13 LEU A 105 2.847 -21.148 -1.563 1.00 51.43 H new ATOM 0 HD21 LEU A 105 4.730 -19.888 -3.651 1.00 11.15 H new ATOM 0 HD22 LEU A 105 4.201 -19.056 -2.170 1.00 11.15 H new ATOM 0 HD23 LEU A 105 5.937 -19.236 -2.517 1.00 11.15 H new ATOM 1575 N VAL A 106 7.531 -18.630 -0.701 1.00 13.12 N ATOM 1576 CA VAL A 106 8.244 -17.673 -1.539 1.00 31.32 C ATOM 1577 C VAL A 106 9.750 -17.896 -1.467 1.00 44.00 C ATOM 1578 O VAL A 106 10.450 -17.816 -2.477 1.00 21.21 O ATOM 1579 CB VAL A 106 7.930 -16.223 -1.127 1.00 2.25 C ATOM 1580 CG1 VAL A 106 8.651 -15.241 -2.037 1.00 44.22 C ATOM 1581 CG2 VAL A 106 6.429 -15.977 -1.146 1.00 1.33 C ATOM 0 H VAL A 106 7.022 -18.211 0.077 1.00 13.12 H new ATOM 0 HA VAL A 106 7.904 -17.833 -2.562 1.00 31.32 H new ATOM 0 HB VAL A 106 8.288 -16.068 -0.109 1.00 2.25 H new ATOM 0 HG11 VAL A 106 8.417 -14.222 -1.730 1.00 44.22 H new ATOM 0 HG12 VAL A 106 9.727 -15.403 -1.967 1.00 44.22 H new ATOM 0 HG13 VAL A 106 8.327 -15.394 -3.066 1.00 44.22 H new ATOM 0 HG21 VAL A 106 6.225 -14.947 -0.852 1.00 1.33 H new ATOM 0 HG22 VAL A 106 6.045 -16.150 -2.151 1.00 1.33 H new ATOM 0 HG23 VAL A 106 5.940 -16.657 -0.448 1.00 1.33 H new ATOM 1591 N LYS A 107 10.245 -18.176 -0.266 1.00 72.40 N ATOM 1592 CA LYS A 107 11.669 -18.413 -0.061 1.00 12.05 C ATOM 1593 C LYS A 107 12.134 -19.642 -0.836 1.00 13.51 C ATOM 1594 O LYS A 107 13.330 -19.839 -1.046 1.00 2.45 O ATOM 1595 CB LYS A 107 11.967 -18.594 1.430 1.00 72.35 C ATOM 1596 CG LYS A 107 11.649 -17.368 2.267 1.00 2.40 C ATOM 1597 CD LYS A 107 11.473 -17.724 3.734 1.00 71.14 C ATOM 1598 CE LYS A 107 12.775 -18.214 4.348 1.00 32.44 C ATOM 1599 NZ LYS A 107 12.740 -18.161 5.836 1.00 21.32 N ATOM 0 H LYS A 107 9.680 -18.244 0.581 1.00 72.40 H new ATOM 0 HA LYS A 107 12.213 -17.545 -0.432 1.00 12.05 H new ATOM 0 HB2 LYS A 107 11.392 -19.440 1.807 1.00 72.35 H new ATOM 0 HB3 LYS A 107 13.021 -18.845 1.554 1.00 72.35 H new ATOM 0 HG2 LYS A 107 12.451 -16.637 2.163 1.00 2.40 H new ATOM 0 HG3 LYS A 107 10.739 -16.898 1.894 1.00 2.40 H new ATOM 0 HD2 LYS A 107 11.117 -16.851 4.281 1.00 71.14 H new ATOM 0 HD3 LYS A 107 10.709 -18.496 3.833 1.00 71.14 H new ATOM 0 HE2 LYS A 107 12.966 -19.237 4.025 1.00 32.44 H new ATOM 0 HE3 LYS A 107 13.601 -17.605 3.982 1.00 32.44 H new ATOM 0 HZ1 LYS A 107 13.645 -18.503 6.217 1.00 21.32 H new ATOM 0 HZ2 LYS A 107 12.583 -17.180 6.145 1.00 21.32 H new ATOM 0 HZ3 LYS A 107 11.968 -18.763 6.187 1.00 21.32 H new ATOM 1613 N ALA A 108 11.180 -20.464 -1.260 1.00 53.33 N ATOM 1614 CA ALA A 108 11.492 -21.671 -2.016 1.00 13.35 C ATOM 1615 C ALA A 108 11.388 -21.421 -3.516 1.00 64.44 C ATOM 1616 O ALA A 108 10.502 -20.700 -3.976 1.00 31.22 O ATOM 1617 CB ALA A 108 10.567 -22.806 -1.602 1.00 53.22 C ATOM 0 H ALA A 108 10.185 -20.316 -1.093 1.00 53.33 H new ATOM 0 HA ALA A 108 12.520 -21.955 -1.792 1.00 13.35 H new ATOM 0 HB1 ALA A 108 10.811 -23.701 -2.174 1.00 53.22 H new ATOM 0 HB2 ALA A 108 10.694 -23.009 -0.539 1.00 53.22 H new ATOM 0 HB3 ALA A 108 9.533 -22.522 -1.796 1.00 53.22 H new TER 1623 ALA A 108