USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 671 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 13 THR OG1 : rot 180:sc= 0.00557 USER MOD Set 1.2: A 16 GLN : amide:sc= -1.83! C(o=-5.3!,f=-13!) USER MOD Set 1.3: A 60 CYS SG : rot 180:sc= -3.48 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00558 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.117 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.513! K(o=-0.51!,f=-1.2) USER MOD Single : A 26 SER OG : rot 31:sc= 1.08 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 170:sc= -4.45! USER MOD Single : A 32 MET CE :methyl 152:sc= -0.0346 (180deg=-0.849) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.23 K(o=-2.2,f=-5.6!) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= 0.438 (180deg=0.166) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-3.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -76:sc= 1.03 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.0263 (180deg=-0.266) USER MOD Single : A 74 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 77 THR OG1 : rot -170:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.016) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.941 2.022 -12.790 1.00 0.00 N ATOM 2 CA GLY A 1 -28.233 1.372 -12.908 1.00 0.00 C ATOM 3 C GLY A 1 -28.783 1.427 -14.319 1.00 0.00 C ATOM 4 O GLY A 1 -29.314 0.438 -14.825 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.577 1.898 -11.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.276 1.598 -13.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.043 3.037 -12.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.142 0.331 -12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.939 1.848 -12.227 1.00 0.00 H new ATOM 8 N SER A 2 -28.656 2.586 -14.958 1.00 0.00 N ATOM 9 CA SER A 2 -29.149 2.768 -16.318 1.00 0.00 C ATOM 10 C SER A 2 -28.064 2.440 -17.338 1.00 0.00 C ATOM 11 O SER A 2 -26.895 2.777 -17.147 1.00 0.00 O ATOM 12 CB SER A 2 -29.637 4.204 -16.519 1.00 0.00 C ATOM 13 OG SER A 2 -30.918 4.393 -15.944 1.00 0.00 O ATOM 0 H SER A 2 -28.216 3.413 -14.555 1.00 0.00 H new ATOM 0 HA SER A 2 -29.984 2.084 -16.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.927 4.899 -16.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.676 4.432 -17.584 1.00 0.00 H new ATOM 0 HG SER A 2 -31.206 5.319 -16.085 1.00 0.00 H new ATOM 19 N SER A 3 -28.458 1.779 -18.422 1.00 0.00 N ATOM 20 CA SER A 3 -27.519 1.401 -19.471 1.00 0.00 C ATOM 21 C SER A 3 -26.790 2.626 -20.015 1.00 0.00 C ATOM 22 O SER A 3 -27.401 3.510 -20.615 1.00 0.00 O ATOM 23 CB SER A 3 -28.252 0.684 -20.607 1.00 0.00 C ATOM 24 OG SER A 3 -27.424 0.559 -21.749 1.00 0.00 O ATOM 0 H SER A 3 -29.422 1.494 -18.596 1.00 0.00 H new ATOM 0 HA SER A 3 -26.783 0.724 -19.038 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.568 -0.304 -20.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.155 1.236 -20.867 1.00 0.00 H new ATOM 0 HG SER A 3 -27.915 0.096 -22.460 1.00 0.00 H new ATOM 30 N GLY A 4 -25.479 2.671 -19.799 1.00 0.00 N ATOM 31 CA GLY A 4 -24.687 3.791 -20.273 1.00 0.00 C ATOM 32 C GLY A 4 -23.410 3.975 -19.478 1.00 0.00 C ATOM 33 O GLY A 4 -22.315 3.733 -19.986 1.00 0.00 O ATOM 0 H GLY A 4 -24.951 1.952 -19.304 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.439 3.638 -21.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.282 4.703 -20.216 1.00 0.00 H new ATOM 37 N SER A 5 -23.549 4.407 -18.229 1.00 0.00 N ATOM 38 CA SER A 5 -22.396 4.630 -17.364 1.00 0.00 C ATOM 39 C SER A 5 -22.735 4.305 -15.913 1.00 0.00 C ATOM 40 O SER A 5 -23.834 4.596 -15.440 1.00 0.00 O ATOM 41 CB SER A 5 -21.920 6.079 -17.476 1.00 0.00 C ATOM 42 OG SER A 5 -21.686 6.436 -18.827 1.00 0.00 O ATOM 0 H SER A 5 -24.449 4.610 -17.793 1.00 0.00 H new ATOM 0 HA SER A 5 -21.595 3.966 -17.689 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.668 6.745 -17.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.005 6.210 -16.898 1.00 0.00 H new ATOM 0 HG SER A 5 -21.384 7.367 -18.872 1.00 0.00 H new ATOM 48 N SER A 6 -21.783 3.698 -15.211 1.00 0.00 N ATOM 49 CA SER A 6 -21.981 3.329 -13.814 1.00 0.00 C ATOM 50 C SER A 6 -22.248 4.564 -12.958 1.00 0.00 C ATOM 51 O SER A 6 -21.816 5.667 -13.289 1.00 0.00 O ATOM 52 CB SER A 6 -20.756 2.582 -13.283 1.00 0.00 C ATOM 53 OG SER A 6 -19.678 3.472 -13.049 1.00 0.00 O ATOM 0 H SER A 6 -20.867 3.451 -15.587 1.00 0.00 H new ATOM 0 HA SER A 6 -22.850 2.674 -13.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.013 2.066 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.453 1.819 -14.000 1.00 0.00 H new ATOM 0 HG SER A 6 -18.908 2.971 -12.709 1.00 0.00 H new ATOM 59 N GLY A 7 -22.965 4.368 -11.856 1.00 0.00 N ATOM 60 CA GLY A 7 -23.278 5.474 -10.969 1.00 0.00 C ATOM 61 C GLY A 7 -22.927 5.176 -9.525 1.00 0.00 C ATOM 62 O GLY A 7 -21.968 5.727 -8.986 1.00 0.00 O ATOM 0 H GLY A 7 -23.335 3.464 -11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.737 6.362 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.341 5.704 -11.041 1.00 0.00 H new ATOM 66 N SER A 8 -23.708 4.303 -8.896 1.00 0.00 N ATOM 67 CA SER A 8 -23.478 3.937 -7.503 1.00 0.00 C ATOM 68 C SER A 8 -24.006 2.535 -7.215 1.00 0.00 C ATOM 69 O SER A 8 -25.159 2.221 -7.512 1.00 0.00 O ATOM 70 CB SER A 8 -24.148 4.948 -6.571 1.00 0.00 C ATOM 71 OG SER A 8 -23.728 6.269 -6.865 1.00 0.00 O ATOM 0 H SER A 8 -24.505 3.836 -9.329 1.00 0.00 H new ATOM 0 HA SER A 8 -22.403 3.945 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 8 -25.231 4.877 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.907 4.708 -5.535 1.00 0.00 H new ATOM 0 HG SER A 8 -24.172 6.896 -6.257 1.00 0.00 H new ATOM 77 N SER A 9 -23.154 1.696 -6.635 1.00 0.00 N ATOM 78 CA SER A 9 -23.533 0.325 -6.310 1.00 0.00 C ATOM 79 C SER A 9 -23.478 0.090 -4.804 1.00 0.00 C ATOM 80 O SER A 9 -22.766 0.785 -4.081 1.00 0.00 O ATOM 81 CB SER A 9 -22.612 -0.664 -7.026 1.00 0.00 C ATOM 82 OG SER A 9 -23.031 -0.875 -8.364 1.00 0.00 O ATOM 0 H SER A 9 -22.197 1.941 -6.380 1.00 0.00 H new ATOM 0 HA SER A 9 -24.557 0.167 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.590 -0.286 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 9 -22.605 -1.613 -6.490 1.00 0.00 H new ATOM 0 HG SER A 9 -22.425 -1.510 -8.800 1.00 0.00 H new ATOM 88 N ALA A 10 -24.237 -0.897 -4.338 1.00 0.00 N ATOM 89 CA ALA A 10 -24.275 -1.227 -2.919 1.00 0.00 C ATOM 90 C ALA A 10 -23.215 -2.265 -2.568 1.00 0.00 C ATOM 91 O ALA A 10 -22.321 -2.006 -1.763 1.00 0.00 O ATOM 92 CB ALA A 10 -25.658 -1.729 -2.530 1.00 0.00 C ATOM 0 H ALA A 10 -24.834 -1.482 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 10 -24.058 -0.320 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -25.671 -1.972 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -26.397 -0.954 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.897 -2.621 -3.109 1.00 0.00 H new ATOM 98 N SER A 11 -23.321 -3.442 -3.178 1.00 0.00 N ATOM 99 CA SER A 11 -22.374 -4.521 -2.926 1.00 0.00 C ATOM 100 C SER A 11 -21.085 -4.308 -3.715 1.00 0.00 C ATOM 101 O SER A 11 -20.958 -3.343 -4.469 1.00 0.00 O ATOM 102 CB SER A 11 -22.994 -5.870 -3.296 1.00 0.00 C ATOM 103 OG SER A 11 -23.146 -5.993 -4.700 1.00 0.00 O ATOM 0 H SER A 11 -24.053 -3.672 -3.850 1.00 0.00 H new ATOM 0 HA SER A 11 -22.134 -4.519 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.364 -6.678 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.965 -5.973 -2.811 1.00 0.00 H new ATOM 0 HG SER A 11 -23.542 -6.864 -4.911 1.00 0.00 H new ATOM 109 N PHE A 12 -20.132 -5.216 -3.536 1.00 0.00 N ATOM 110 CA PHE A 12 -18.852 -5.128 -4.229 1.00 0.00 C ATOM 111 C PHE A 12 -18.852 -5.999 -5.482 1.00 0.00 C ATOM 112 O PHE A 12 -19.735 -6.835 -5.672 1.00 0.00 O ATOM 113 CB PHE A 12 -17.714 -5.553 -3.299 1.00 0.00 C ATOM 114 CG PHE A 12 -17.980 -6.843 -2.576 1.00 0.00 C ATOM 115 CD1 PHE A 12 -18.830 -6.877 -1.483 1.00 0.00 C ATOM 116 CD2 PHE A 12 -17.379 -8.021 -2.990 1.00 0.00 C ATOM 117 CE1 PHE A 12 -19.078 -8.063 -0.816 1.00 0.00 C ATOM 118 CE2 PHE A 12 -17.623 -9.209 -2.328 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.472 -9.230 -1.239 1.00 0.00 C ATOM 0 H PHE A 12 -20.222 -6.022 -2.917 1.00 0.00 H new ATOM 0 HA PHE A 12 -18.699 -4.091 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.798 -5.654 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.540 -4.765 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -19.305 -5.967 -1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.712 -8.010 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -19.744 -8.077 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -17.150 -10.121 -2.662 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.662 -10.157 -0.719 1.00 0.00 H new ATOM 129 N THR A 13 -17.853 -5.796 -6.336 1.00 0.00 N ATOM 130 CA THR A 13 -17.737 -6.559 -7.572 1.00 0.00 C ATOM 131 C THR A 13 -16.816 -7.760 -7.392 1.00 0.00 C ATOM 132 O THR A 13 -16.247 -7.965 -6.319 1.00 0.00 O ATOM 133 CB THR A 13 -17.205 -5.686 -8.724 1.00 0.00 C ATOM 134 OG1 THR A 13 -16.074 -4.928 -8.282 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.286 -4.744 -9.233 1.00 0.00 C ATOM 0 H THR A 13 -17.113 -5.109 -6.194 1.00 0.00 H new ATOM 0 HA THR A 13 -18.739 -6.907 -7.823 1.00 0.00 H new ATOM 0 HB THR A 13 -16.905 -6.343 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.741 -4.377 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.887 -4.138 -10.046 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.134 -5.325 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.613 -4.093 -8.422 1.00 0.00 H new ATOM 143 N LYS A 14 -16.671 -8.552 -8.449 1.00 0.00 N ATOM 144 CA LYS A 14 -15.816 -9.733 -8.409 1.00 0.00 C ATOM 145 C LYS A 14 -14.361 -9.343 -8.170 1.00 0.00 C ATOM 146 O LYS A 14 -13.726 -9.826 -7.233 1.00 0.00 O ATOM 147 CB LYS A 14 -15.936 -10.519 -9.717 1.00 0.00 C ATOM 148 CG LYS A 14 -15.631 -9.692 -10.954 1.00 0.00 C ATOM 149 CD LYS A 14 -16.410 -10.187 -12.161 1.00 0.00 C ATOM 150 CE LYS A 14 -16.594 -9.086 -13.195 1.00 0.00 C ATOM 151 NZ LYS A 14 -16.700 -9.634 -14.576 1.00 0.00 N ATOM 0 H LYS A 14 -17.135 -8.398 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.146 -10.362 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.256 -11.371 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.946 -10.920 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.877 -8.647 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.563 -9.734 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.886 -11.029 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.385 -10.554 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.492 -8.515 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.753 -8.394 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.824 -8.853 -15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.832 -10.158 -14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.517 -10.275 -14.634 1.00 0.00 H new ATOM 165 N GLU A 15 -13.839 -8.467 -9.023 1.00 0.00 N ATOM 166 CA GLU A 15 -12.459 -8.013 -8.902 1.00 0.00 C ATOM 167 C GLU A 15 -12.070 -7.836 -7.437 1.00 0.00 C ATOM 168 O GLU A 15 -11.083 -8.406 -6.974 1.00 0.00 O ATOM 169 CB GLU A 15 -12.265 -6.695 -9.655 1.00 0.00 C ATOM 170 CG GLU A 15 -11.851 -6.878 -11.106 1.00 0.00 C ATOM 171 CD GLU A 15 -12.931 -7.536 -11.942 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.842 -6.818 -12.404 1.00 0.00 O ATOM 173 OE2 GLU A 15 -12.866 -8.768 -12.133 1.00 0.00 O ATOM 0 H GLU A 15 -14.351 -8.058 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.814 -8.774 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.194 -6.126 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.508 -6.101 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.606 -5.907 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.945 -7.483 -11.148 1.00 0.00 H new ATOM 180 N GLN A 16 -12.854 -7.043 -6.715 1.00 0.00 N ATOM 181 CA GLN A 16 -12.592 -6.790 -5.303 1.00 0.00 C ATOM 182 C GLN A 16 -12.481 -8.098 -4.527 1.00 0.00 C ATOM 183 O GLN A 16 -11.466 -8.367 -3.885 1.00 0.00 O ATOM 184 CB GLN A 16 -13.698 -5.920 -4.704 1.00 0.00 C ATOM 185 CG GLN A 16 -13.859 -4.577 -5.397 1.00 0.00 C ATOM 186 CD GLN A 16 -15.003 -3.760 -4.830 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.165 -3.975 -5.176 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.680 -2.817 -3.953 1.00 0.00 N ATOM 0 H GLN A 16 -13.676 -6.565 -7.084 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.642 -6.261 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.643 -6.461 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.484 -5.751 -3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.932 -4.011 -5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.027 -4.740 -6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.704 -2.673 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.408 -2.236 -3.537 1.00 0.00 H new ATOM 197 N ALA A 17 -13.532 -8.909 -4.591 1.00 0.00 N ATOM 198 CA ALA A 17 -13.552 -10.190 -3.896 1.00 0.00 C ATOM 199 C ALA A 17 -12.297 -11.000 -4.201 1.00 0.00 C ATOM 200 O ALA A 17 -11.677 -11.565 -3.300 1.00 0.00 O ATOM 201 CB ALA A 17 -14.796 -10.978 -4.277 1.00 0.00 C ATOM 0 H ALA A 17 -14.381 -8.701 -5.117 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.574 -9.993 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.798 -11.932 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.685 -10.410 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.798 -11.157 -5.352 1.00 0.00 H new ATOM 207 N ASP A 18 -11.927 -11.052 -5.476 1.00 0.00 N ATOM 208 CA ASP A 18 -10.745 -11.793 -5.899 1.00 0.00 C ATOM 209 C ASP A 18 -9.484 -11.211 -5.268 1.00 0.00 C ATOM 210 O ASP A 18 -8.456 -11.882 -5.180 1.00 0.00 O ATOM 211 CB ASP A 18 -10.623 -11.772 -7.424 1.00 0.00 C ATOM 212 CG ASP A 18 -11.357 -12.926 -8.079 1.00 0.00 C ATOM 213 OD1 ASP A 18 -12.308 -13.451 -7.463 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.980 -13.303 -9.208 1.00 0.00 O ATOM 0 H ASP A 18 -12.429 -10.590 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.854 -12.825 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.019 -10.830 -7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.570 -11.810 -7.702 1.00 0.00 H new ATOM 219 N ALA A 19 -9.570 -9.958 -4.832 1.00 0.00 N ATOM 220 CA ALA A 19 -8.437 -9.287 -4.208 1.00 0.00 C ATOM 221 C ALA A 19 -8.271 -9.723 -2.757 1.00 0.00 C ATOM 222 O ALA A 19 -7.164 -10.028 -2.313 1.00 0.00 O ATOM 223 CB ALA A 19 -8.608 -7.777 -4.292 1.00 0.00 C ATOM 0 H ALA A 19 -10.413 -9.388 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.535 -9.571 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.755 -7.288 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.669 -7.475 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.523 -7.485 -3.776 1.00 0.00 H new ATOM 229 N ILE A 20 -9.378 -9.749 -2.022 1.00 0.00 N ATOM 230 CA ILE A 20 -9.354 -10.149 -0.620 1.00 0.00 C ATOM 231 C ILE A 20 -8.929 -11.605 -0.471 1.00 0.00 C ATOM 232 O ILE A 20 -8.077 -11.933 0.356 1.00 0.00 O ATOM 233 CB ILE A 20 -10.730 -9.957 0.044 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.098 -8.472 0.087 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.730 -10.549 1.445 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.939 -8.024 -1.087 1.00 0.00 C ATOM 0 H ILE A 20 -10.302 -9.498 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.627 -9.508 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.479 -10.480 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.639 -8.267 1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.183 -7.880 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.710 -10.405 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.509 -11.615 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.972 -10.052 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.162 -6.961 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.392 -8.197 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.870 -8.590 -1.104 1.00 0.00 H new ATOM 248 N ARG A 21 -9.526 -12.476 -1.278 1.00 0.00 N ATOM 249 CA ARG A 21 -9.209 -13.899 -1.236 1.00 0.00 C ATOM 250 C ARG A 21 -7.704 -14.124 -1.353 1.00 0.00 C ATOM 251 O ARG A 21 -7.152 -15.032 -0.732 1.00 0.00 O ATOM 252 CB ARG A 21 -9.935 -14.638 -2.361 1.00 0.00 C ATOM 253 CG ARG A 21 -9.161 -14.668 -3.669 1.00 0.00 C ATOM 254 CD ARG A 21 -9.938 -15.390 -4.759 1.00 0.00 C ATOM 255 NE ARG A 21 -9.313 -15.235 -6.070 1.00 0.00 N ATOM 256 CZ ARG A 21 -8.175 -15.827 -6.416 1.00 0.00 C ATOM 257 NH1 ARG A 21 -7.542 -16.610 -5.554 1.00 0.00 N ATOM 258 NH2 ARG A 21 -7.669 -15.638 -7.628 1.00 0.00 N ATOM 0 H ARG A 21 -10.232 -12.221 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.544 -14.293 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.134 -15.661 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.901 -14.164 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.945 -13.649 -3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.202 -15.163 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.008 -16.450 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.957 -15.004 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.775 -14.640 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.928 -16.760 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.669 -17.063 -5.823 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.154 -15.038 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.795 -16.093 -7.893 1.00 0.00 H new ATOM 272 N ARG A 22 -7.047 -13.291 -2.154 1.00 0.00 N ATOM 273 CA ARG A 22 -5.607 -13.400 -2.353 1.00 0.00 C ATOM 274 C ARG A 22 -4.849 -12.929 -1.116 1.00 0.00 C ATOM 275 O ARG A 22 -4.040 -13.668 -0.553 1.00 0.00 O ATOM 276 CB ARG A 22 -5.176 -12.580 -3.571 1.00 0.00 C ATOM 277 CG ARG A 22 -5.214 -13.360 -4.875 1.00 0.00 C ATOM 278 CD ARG A 22 -4.909 -12.467 -6.067 1.00 0.00 C ATOM 279 NE ARG A 22 -5.521 -12.966 -7.296 1.00 0.00 N ATOM 280 CZ ARG A 22 -5.066 -12.683 -8.511 1.00 0.00 C ATOM 281 NH1 ARG A 22 -4.000 -11.908 -8.660 1.00 0.00 N ATOM 282 NH2 ARG A 22 -5.678 -13.175 -9.581 1.00 0.00 N ATOM 0 H ARG A 22 -7.489 -12.534 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.368 -14.449 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.825 -11.709 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.164 -12.209 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.491 -14.174 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.197 -13.813 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.270 -11.458 -5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.830 -12.398 -6.202 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.343 -13.565 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.527 -11.528 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.653 -11.692 -9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.498 -13.771 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.328 -12.957 -10.514 1.00 0.00 H new ATOM 296 N ILE A 23 -5.116 -11.696 -0.698 1.00 0.00 N ATOM 297 CA ILE A 23 -4.460 -11.128 0.473 1.00 0.00 C ATOM 298 C ILE A 23 -4.411 -12.133 1.618 1.00 0.00 C ATOM 299 O ILE A 23 -3.376 -12.307 2.261 1.00 0.00 O ATOM 300 CB ILE A 23 -5.175 -9.852 0.955 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.018 -8.733 -0.077 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.626 -9.415 2.305 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.644 -7.424 0.352 1.00 0.00 C ATOM 0 H ILE A 23 -5.782 -11.072 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.443 -10.874 0.173 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.237 -10.069 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.957 -8.573 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.468 -9.051 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.141 -8.512 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.784 -10.208 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.559 -9.212 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.495 -6.677 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.712 -7.568 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.177 -7.083 1.276 1.00 0.00 H new ATOM 315 N ARG A 24 -5.537 -12.794 1.866 1.00 0.00 N ATOM 316 CA ARG A 24 -5.623 -13.783 2.934 1.00 0.00 C ATOM 317 C ARG A 24 -4.938 -15.084 2.526 1.00 0.00 C ATOM 318 O ARG A 24 -4.444 -15.828 3.371 1.00 0.00 O ATOM 319 CB ARG A 24 -7.086 -14.055 3.290 1.00 0.00 C ATOM 320 CG ARG A 24 -7.917 -14.548 2.117 1.00 0.00 C ATOM 321 CD ARG A 24 -9.406 -14.409 2.392 1.00 0.00 C ATOM 322 NE ARG A 24 -10.191 -15.411 1.676 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.394 -15.818 2.065 1.00 0.00 C ATOM 324 NH1 ARG A 24 -11.948 -15.311 3.157 1.00 0.00 N ATOM 325 NH2 ARG A 24 -12.046 -16.733 1.360 1.00 0.00 N ATOM 0 H ARG A 24 -6.402 -12.663 1.342 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.112 -13.381 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.125 -14.796 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.532 -13.141 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.657 -13.983 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.679 -15.592 1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.587 -14.504 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.737 -13.412 2.100 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.794 -15.821 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.450 -14.606 3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.872 -15.626 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.624 -17.125 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.970 -17.045 1.660 1.00 0.00 H new ATOM 339 N ASN A 25 -4.915 -15.352 1.224 1.00 0.00 N ATOM 340 CA ASN A 25 -4.291 -16.563 0.704 1.00 0.00 C ATOM 341 C ASN A 25 -2.885 -16.274 0.188 1.00 0.00 C ATOM 342 O ASN A 25 -2.310 -17.067 -0.557 1.00 0.00 O ATOM 343 CB ASN A 25 -5.145 -17.160 -0.417 1.00 0.00 C ATOM 344 CG ASN A 25 -6.398 -17.834 0.106 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.337 -18.664 1.013 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.543 -17.479 -0.465 1.00 0.00 N ATOM 0 H ASN A 25 -5.321 -14.747 0.510 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.218 -17.282 1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.425 -16.372 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.552 -17.885 -0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.419 -17.899 -0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.546 -16.787 -1.214 1.00 0.00 H new ATOM 353 N SER A 26 -2.336 -15.132 0.592 1.00 0.00 N ATOM 354 CA SER A 26 -0.998 -14.736 0.169 1.00 0.00 C ATOM 355 C SER A 26 0.058 -15.287 1.121 1.00 0.00 C ATOM 356 O SER A 26 -0.253 -15.720 2.231 1.00 0.00 O ATOM 357 CB SER A 26 -0.893 -13.211 0.100 1.00 0.00 C ATOM 358 OG SER A 26 -1.649 -12.696 -0.982 1.00 0.00 O ATOM 0 H SER A 26 -2.797 -14.466 1.211 1.00 0.00 H new ATOM 0 HA SER A 26 -0.819 -15.151 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.247 -12.776 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.152 -12.920 -0.011 1.00 0.00 H new ATOM 0 HG SER A 26 -2.423 -13.275 -1.145 1.00 0.00 H new ATOM 364 N LYS A 27 1.311 -15.268 0.679 1.00 0.00 N ATOM 365 CA LYS A 27 2.417 -15.765 1.490 1.00 0.00 C ATOM 366 C LYS A 27 3.386 -14.639 1.836 1.00 0.00 C ATOM 367 O LYS A 27 4.287 -14.813 2.657 1.00 0.00 O ATOM 368 CB LYS A 27 3.158 -16.881 0.751 1.00 0.00 C ATOM 369 CG LYS A 27 2.238 -17.828 0.000 1.00 0.00 C ATOM 370 CD LYS A 27 2.913 -18.396 -1.238 1.00 0.00 C ATOM 371 CE LYS A 27 2.209 -19.651 -1.730 1.00 0.00 C ATOM 372 NZ LYS A 27 2.665 -20.866 -0.999 1.00 0.00 N ATOM 0 H LYS A 27 1.586 -14.914 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 27 2.005 -16.164 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.860 -16.435 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.746 -17.452 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.938 -18.643 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.329 -17.301 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.916 -17.646 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.954 -18.626 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.132 -19.536 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.395 -19.778 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.162 -21.700 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.688 -20.991 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.464 -20.757 0.016 1.00 0.00 H new ATOM 386 N ASP A 28 3.194 -13.485 1.206 1.00 0.00 N ATOM 387 CA ASP A 28 4.050 -12.330 1.450 1.00 0.00 C ATOM 388 C ASP A 28 3.394 -11.050 0.939 1.00 0.00 C ATOM 389 O ASP A 28 2.401 -11.097 0.214 1.00 0.00 O ATOM 390 CB ASP A 28 5.410 -12.525 0.777 1.00 0.00 C ATOM 391 CG ASP A 28 6.261 -13.562 1.481 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.692 -13.301 2.624 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.495 -14.637 0.890 1.00 0.00 O ATOM 0 H ASP A 28 2.454 -13.325 0.523 1.00 0.00 H new ATOM 0 HA ASP A 28 4.196 -12.238 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.259 -12.826 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.943 -11.574 0.758 1.00 0.00 H new ATOM 398 N SER A 29 3.957 -9.909 1.323 1.00 0.00 N ATOM 399 CA SER A 29 3.424 -8.617 0.908 1.00 0.00 C ATOM 400 C SER A 29 3.443 -8.484 -0.612 1.00 0.00 C ATOM 401 O SER A 29 2.490 -7.990 -1.214 1.00 0.00 O ATOM 402 CB SER A 29 4.231 -7.481 1.541 1.00 0.00 C ATOM 403 OG SER A 29 3.973 -6.249 0.892 1.00 0.00 O ATOM 0 H SER A 29 4.782 -9.853 1.921 1.00 0.00 H new ATOM 0 HA SER A 29 2.390 -8.552 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.980 -7.398 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.295 -7.710 1.483 1.00 0.00 H new ATOM 0 HG SER A 29 4.370 -5.517 1.409 1.00 0.00 H new ATOM 409 N TRP A 30 4.535 -8.928 -1.224 1.00 0.00 N ATOM 410 CA TRP A 30 4.679 -8.859 -2.674 1.00 0.00 C ATOM 411 C TRP A 30 3.429 -9.386 -3.371 1.00 0.00 C ATOM 412 O TRP A 30 3.024 -8.868 -4.412 1.00 0.00 O ATOM 413 CB TRP A 30 5.903 -9.658 -3.123 1.00 0.00 C ATOM 414 CG TRP A 30 7.128 -9.380 -2.304 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.916 -10.299 -1.672 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.701 -8.098 -2.029 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.945 -9.664 -1.019 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.836 -8.314 -1.223 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.368 -6.789 -2.385 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.637 -7.268 -0.769 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.162 -5.752 -1.934 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.286 -5.997 -1.133 1.00 0.00 C ATOM 0 H TRP A 30 5.333 -9.339 -0.740 1.00 0.00 H new ATOM 0 HA TRP A 30 4.814 -7.814 -2.952 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.673 -10.722 -3.070 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.114 -9.430 -4.168 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.754 -11.367 -1.684 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.672 -10.124 -0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.504 -6.591 -3.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.504 -7.454 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.913 -4.736 -2.203 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.887 -5.165 -0.796 1.00 0.00 H new ATOM 433 N ASP A 31 2.823 -10.416 -2.791 1.00 0.00 N ATOM 434 CA ASP A 31 1.618 -11.011 -3.357 1.00 0.00 C ATOM 435 C ASP A 31 0.416 -10.091 -3.165 1.00 0.00 C ATOM 436 O ASP A 31 -0.369 -9.880 -4.088 1.00 0.00 O ATOM 437 CB ASP A 31 1.344 -12.371 -2.712 1.00 0.00 C ATOM 438 CG ASP A 31 0.621 -13.320 -3.647 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.518 -13.004 -4.049 1.00 0.00 O ATOM 440 OD2 ASP A 31 1.195 -14.380 -3.977 1.00 0.00 O ATOM 0 H ASP A 31 3.146 -10.856 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 31 1.779 -11.150 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.288 -12.820 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.748 -12.229 -1.811 1.00 0.00 H new ATOM 445 N MET A 32 0.280 -9.549 -1.959 1.00 0.00 N ATOM 446 CA MET A 32 -0.827 -8.651 -1.647 1.00 0.00 C ATOM 447 C MET A 32 -0.829 -7.445 -2.580 1.00 0.00 C ATOM 448 O MET A 32 -1.744 -7.274 -3.388 1.00 0.00 O ATOM 449 CB MET A 32 -0.738 -8.185 -0.192 1.00 0.00 C ATOM 450 CG MET A 32 -1.273 -9.200 0.805 1.00 0.00 C ATOM 451 SD MET A 32 -0.923 -8.745 2.514 1.00 0.00 S ATOM 452 CE MET A 32 0.341 -9.942 2.932 1.00 0.00 C ATOM 0 H MET A 32 0.921 -9.715 -1.183 1.00 0.00 H new ATOM 0 HA MET A 32 -1.758 -9.199 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.303 -7.966 0.048 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.293 -7.253 -0.083 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.350 -9.300 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.834 -10.176 0.596 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.994 -9.528 3.701 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.129 -10.852 3.306 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.929 -10.176 2.044 1.00 0.00 H new ATOM 462 N LEU A 33 0.199 -6.612 -2.465 1.00 0.00 N ATOM 463 CA LEU A 33 0.315 -5.421 -3.300 1.00 0.00 C ATOM 464 C LEU A 33 0.489 -5.798 -4.767 1.00 0.00 C ATOM 465 O LEU A 33 0.060 -5.070 -5.661 1.00 0.00 O ATOM 466 CB LEU A 33 1.495 -4.564 -2.838 1.00 0.00 C ATOM 467 CG LEU A 33 1.531 -4.217 -1.349 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.846 -3.543 -0.990 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.355 -3.325 -0.981 1.00 0.00 C ATOM 0 H LEU A 33 0.964 -6.739 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.606 -4.846 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.418 -5.086 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.488 -3.634 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 33 1.452 -5.142 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.854 -3.303 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.673 -4.216 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.955 -2.626 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.397 -3.088 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.402 -2.403 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.578 -3.844 -1.201 1.00 0.00 H new ATOM 481 N GLY A 34 1.120 -6.944 -5.007 1.00 0.00 N ATOM 482 CA GLY A 34 1.337 -7.400 -6.368 1.00 0.00 C ATOM 483 C GLY A 34 2.539 -6.740 -7.015 1.00 0.00 C ATOM 484 O GLY A 34 2.480 -6.324 -8.172 1.00 0.00 O ATOM 0 H GLY A 34 1.484 -7.564 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.476 -8.481 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.448 -7.193 -6.964 1.00 0.00 H new ATOM 488 N VAL A 35 3.633 -6.643 -6.267 1.00 0.00 N ATOM 489 CA VAL A 35 4.854 -6.029 -6.774 1.00 0.00 C ATOM 490 C VAL A 35 6.080 -6.860 -6.410 1.00 0.00 C ATOM 491 O VAL A 35 6.071 -7.604 -5.429 1.00 0.00 O ATOM 492 CB VAL A 35 5.035 -4.602 -6.225 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.991 -3.666 -6.817 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.962 -4.602 -4.706 1.00 0.00 C ATOM 0 H VAL A 35 3.699 -6.982 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 35 4.758 -5.984 -7.859 1.00 0.00 H new ATOM 0 HB VAL A 35 6.021 -4.241 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.134 -2.662 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.096 -3.643 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.994 -4.021 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.092 -3.585 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.991 -4.983 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.750 -5.238 -4.304 1.00 0.00 H new ATOM 504 N LYS A 36 7.134 -6.730 -7.208 1.00 0.00 N ATOM 505 CA LYS A 36 8.370 -7.467 -6.970 1.00 0.00 C ATOM 506 C LYS A 36 9.080 -6.951 -5.723 1.00 0.00 C ATOM 507 O LYS A 36 8.934 -5.793 -5.330 1.00 0.00 O ATOM 508 CB LYS A 36 9.298 -7.351 -8.182 1.00 0.00 C ATOM 509 CG LYS A 36 10.017 -6.017 -8.272 1.00 0.00 C ATOM 510 CD LYS A 36 9.292 -5.054 -9.197 1.00 0.00 C ATOM 511 CE LYS A 36 9.767 -5.197 -10.635 1.00 0.00 C ATOM 512 NZ LYS A 36 10.943 -4.329 -10.920 1.00 0.00 N ATOM 0 H LYS A 36 7.157 -6.121 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 36 8.114 -8.515 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.038 -8.151 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.715 -7.502 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.096 -5.578 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.033 -6.174 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.219 -5.239 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.455 -4.031 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.028 -6.237 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.953 -4.940 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.236 -4.455 -11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.687 -3.334 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.728 -4.591 -10.290 1.00 0.00 H new ATOM 526 N PRO A 37 9.868 -7.829 -5.084 1.00 0.00 N ATOM 527 CA PRO A 37 10.617 -7.484 -3.872 1.00 0.00 C ATOM 528 C PRO A 37 11.760 -6.514 -4.154 1.00 0.00 C ATOM 529 O PRO A 37 12.496 -6.126 -3.248 1.00 0.00 O ATOM 530 CB PRO A 37 11.165 -8.832 -3.398 1.00 0.00 C ATOM 531 CG PRO A 37 11.236 -9.666 -4.630 1.00 0.00 C ATOM 532 CD PRO A 37 10.088 -9.225 -5.495 1.00 0.00 C ATOM 0 HA PRO A 37 9.991 -6.980 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.147 -8.721 -2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.513 -9.284 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.188 -9.525 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.158 -10.726 -4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.332 -9.298 -6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.202 -9.837 -5.329 1.00 0.00 H new ATOM 540 N GLY A 38 11.902 -6.125 -5.418 1.00 0.00 N ATOM 541 CA GLY A 38 12.957 -5.203 -5.796 1.00 0.00 C ATOM 542 C GLY A 38 12.417 -3.895 -6.341 1.00 0.00 C ATOM 543 O GLY A 38 13.065 -3.240 -7.156 1.00 0.00 O ATOM 0 H GLY A 38 11.305 -6.432 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.585 -5.000 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.592 -5.671 -6.548 1.00 0.00 H new ATOM 547 N ALA A 39 11.226 -3.515 -5.890 1.00 0.00 N ATOM 548 CA ALA A 39 10.599 -2.278 -6.338 1.00 0.00 C ATOM 549 C ALA A 39 10.955 -1.117 -5.415 1.00 0.00 C ATOM 550 O ALA A 39 11.363 -1.323 -4.272 1.00 0.00 O ATOM 551 CB ALA A 39 9.089 -2.449 -6.415 1.00 0.00 C ATOM 0 H ALA A 39 10.676 -4.046 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 39 10.979 -2.047 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.634 -1.517 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.848 -3.245 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.701 -2.707 -5.430 1.00 0.00 H new ATOM 557 N SER A 40 10.799 0.103 -5.919 1.00 0.00 N ATOM 558 CA SER A 40 11.109 1.297 -5.141 1.00 0.00 C ATOM 559 C SER A 40 9.868 1.809 -4.416 1.00 0.00 C ATOM 560 O SER A 40 8.749 1.380 -4.698 1.00 0.00 O ATOM 561 CB SER A 40 11.671 2.391 -6.050 1.00 0.00 C ATOM 562 OG SER A 40 12.996 2.090 -6.452 1.00 0.00 O ATOM 0 H SER A 40 10.460 0.291 -6.862 1.00 0.00 H new ATOM 0 HA SER A 40 11.860 1.032 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.036 2.499 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.655 3.347 -5.526 1.00 0.00 H new ATOM 0 HG SER A 40 13.332 2.804 -7.034 1.00 0.00 H new ATOM 568 N ARG A 41 10.076 2.731 -3.481 1.00 0.00 N ATOM 569 CA ARG A 41 8.975 3.302 -2.714 1.00 0.00 C ATOM 570 C ARG A 41 7.833 3.723 -3.633 1.00 0.00 C ATOM 571 O ARG A 41 6.669 3.416 -3.374 1.00 0.00 O ATOM 572 CB ARG A 41 9.461 4.505 -1.903 1.00 0.00 C ATOM 573 CG ARG A 41 8.337 5.302 -1.262 1.00 0.00 C ATOM 574 CD ARG A 41 8.786 5.952 0.037 1.00 0.00 C ATOM 575 NE ARG A 41 7.654 6.331 0.879 1.00 0.00 N ATOM 576 CZ ARG A 41 7.733 6.470 2.198 1.00 0.00 C ATOM 577 NH1 ARG A 41 8.884 6.262 2.822 1.00 0.00 N ATOM 578 NH2 ARG A 41 6.658 6.817 2.895 1.00 0.00 N ATOM 0 H ARG A 41 10.996 3.098 -3.237 1.00 0.00 H new ATOM 0 HA ARG A 41 8.606 2.537 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.139 4.157 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.036 5.163 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.993 6.070 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.489 4.645 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.430 5.263 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.383 6.836 -0.187 1.00 0.00 H new ATOM 0 HE ARG A 41 6.754 6.498 0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.712 5.995 2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.942 6.369 3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.771 6.977 2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.719 6.924 3.908 1.00 0.00 H new ATOM 592 N ASP A 42 8.173 4.428 -4.707 1.00 0.00 N ATOM 593 CA ASP A 42 7.176 4.890 -5.665 1.00 0.00 C ATOM 594 C ASP A 42 6.340 3.725 -6.185 1.00 0.00 C ATOM 595 O ASP A 42 5.135 3.859 -6.397 1.00 0.00 O ATOM 596 CB ASP A 42 7.854 5.609 -6.832 1.00 0.00 C ATOM 597 CG ASP A 42 6.890 5.920 -7.960 1.00 0.00 C ATOM 598 OD1 ASP A 42 5.715 6.226 -7.669 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.311 5.858 -9.134 1.00 0.00 O ATOM 0 H ASP A 42 9.131 4.692 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 42 6.513 5.588 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.300 6.537 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.667 4.991 -7.213 1.00 0.00 H new ATOM 604 N GLU A 43 6.989 2.583 -6.390 1.00 0.00 N ATOM 605 CA GLU A 43 6.305 1.395 -6.888 1.00 0.00 C ATOM 606 C GLU A 43 5.365 0.826 -5.830 1.00 0.00 C ATOM 607 O GLU A 43 4.162 0.696 -6.057 1.00 0.00 O ATOM 608 CB GLU A 43 7.322 0.332 -7.308 1.00 0.00 C ATOM 609 CG GLU A 43 7.739 0.432 -8.766 1.00 0.00 C ATOM 610 CD GLU A 43 6.556 0.419 -9.713 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.502 -0.138 -9.341 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.684 0.968 -10.828 1.00 0.00 O ATOM 0 H GLU A 43 7.986 2.455 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 43 5.714 1.684 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.208 0.420 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.898 -0.656 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.309 1.349 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.402 -0.398 -9.008 1.00 0.00 H new ATOM 619 N VAL A 44 5.923 0.486 -4.672 1.00 0.00 N ATOM 620 CA VAL A 44 5.136 -0.070 -3.578 1.00 0.00 C ATOM 621 C VAL A 44 3.875 0.753 -3.335 1.00 0.00 C ATOM 622 O VAL A 44 2.789 0.204 -3.152 1.00 0.00 O ATOM 623 CB VAL A 44 5.953 -0.134 -2.274 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.113 -0.710 -1.144 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.219 -0.952 -2.479 1.00 0.00 C ATOM 0 H VAL A 44 6.917 0.586 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 44 4.856 -1.082 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 44 6.243 0.880 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.708 -0.747 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.239 -0.079 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.790 -1.717 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.784 -0.987 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.953 -1.965 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.828 -0.491 -3.256 1.00 0.00 H new ATOM 635 N ASN A 45 4.028 2.073 -3.334 1.00 0.00 N ATOM 636 CA ASN A 45 2.901 2.972 -3.114 1.00 0.00 C ATOM 637 C ASN A 45 1.953 2.960 -4.309 1.00 0.00 C ATOM 638 O ASN A 45 0.732 2.932 -4.147 1.00 0.00 O ATOM 639 CB ASN A 45 3.400 4.396 -2.860 1.00 0.00 C ATOM 640 CG ASN A 45 3.988 4.563 -1.472 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.358 4.217 -0.472 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.203 5.097 -1.404 1.00 0.00 N ATOM 0 H ASN A 45 4.921 2.544 -3.483 1.00 0.00 H new ATOM 0 HA ASN A 45 2.356 2.622 -2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.154 4.652 -3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.574 5.096 -2.989 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.650 5.234 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.689 5.369 -2.258 1.00 0.00 H new ATOM 649 N LYS A 46 2.522 2.980 -5.509 1.00 0.00 N ATOM 650 CA LYS A 46 1.729 2.970 -6.733 1.00 0.00 C ATOM 651 C LYS A 46 0.803 1.758 -6.770 1.00 0.00 C ATOM 652 O LYS A 46 -0.361 1.867 -7.152 1.00 0.00 O ATOM 653 CB LYS A 46 2.645 2.963 -7.958 1.00 0.00 C ATOM 654 CG LYS A 46 3.262 4.317 -8.264 1.00 0.00 C ATOM 655 CD LYS A 46 2.382 5.133 -9.196 1.00 0.00 C ATOM 656 CE LYS A 46 2.732 6.612 -9.139 1.00 0.00 C ATOM 657 NZ LYS A 46 3.930 6.931 -9.963 1.00 0.00 N ATOM 0 H LYS A 46 3.530 3.003 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 46 1.118 3.873 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.443 2.237 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.076 2.628 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.417 4.866 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.243 4.177 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.497 4.770 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.336 4.995 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.883 7.200 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.915 6.902 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.890 7.926 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.790 6.773 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.948 6.317 -10.802 1.00 0.00 H new ATOM 671 N ALA A 47 1.329 0.605 -6.370 1.00 0.00 N ATOM 672 CA ALA A 47 0.548 -0.626 -6.355 1.00 0.00 C ATOM 673 C ALA A 47 -0.387 -0.668 -5.152 1.00 0.00 C ATOM 674 O ALA A 47 -1.486 -1.219 -5.226 1.00 0.00 O ATOM 675 CB ALA A 47 1.471 -1.836 -6.351 1.00 0.00 C ATOM 0 H ALA A 47 2.292 0.498 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.063 -0.651 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.875 -2.748 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.095 -1.821 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.106 -1.806 -5.465 1.00 0.00 H new ATOM 681 N TYR A 48 0.055 -0.084 -4.044 1.00 0.00 N ATOM 682 CA TYR A 48 -0.742 -0.057 -2.823 1.00 0.00 C ATOM 683 C TYR A 48 -1.959 0.848 -2.987 1.00 0.00 C ATOM 684 O TYR A 48 -3.029 0.573 -2.445 1.00 0.00 O ATOM 685 CB TYR A 48 0.108 0.419 -1.644 1.00 0.00 C ATOM 686 CG TYR A 48 -0.690 1.115 -0.565 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.155 2.412 -0.743 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.980 0.474 0.634 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.884 3.051 0.241 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.709 1.105 1.623 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.158 2.394 1.422 1.00 0.00 C ATOM 692 OH TYR A 48 -2.885 3.027 2.404 1.00 0.00 O ATOM 0 H TYR A 48 0.961 0.377 -3.966 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.090 -1.071 -2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.622 -0.438 -1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.876 1.099 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.943 2.930 -1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.629 -0.535 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.237 4.060 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.926 0.592 2.548 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.991 2.426 3.171 1.00 0.00 H new ATOM 702 N ARG A 49 -1.786 1.931 -3.738 1.00 0.00 N ATOM 703 CA ARG A 49 -2.868 2.878 -3.974 1.00 0.00 C ATOM 704 C ARG A 49 -3.992 2.232 -4.779 1.00 0.00 C ATOM 705 O ARG A 49 -5.111 2.077 -4.290 1.00 0.00 O ATOM 706 CB ARG A 49 -2.344 4.112 -4.710 1.00 0.00 C ATOM 707 CG ARG A 49 -1.663 5.121 -3.800 1.00 0.00 C ATOM 708 CD ARG A 49 -1.275 6.382 -4.557 1.00 0.00 C ATOM 709 NE ARG A 49 -2.441 7.080 -5.091 1.00 0.00 N ATOM 710 CZ ARG A 49 -2.464 8.383 -5.347 1.00 0.00 C ATOM 711 NH1 ARG A 49 -1.390 9.126 -5.118 1.00 0.00 N ATOM 712 NH2 ARG A 49 -3.564 8.946 -5.832 1.00 0.00 N ATOM 0 H ARG A 49 -0.906 2.174 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.266 3.182 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.639 3.794 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.174 4.599 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.331 5.380 -2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.773 4.672 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.726 7.049 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.602 6.122 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.284 6.537 -5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.543 8.697 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.410 10.126 -5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.393 8.378 -6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.581 9.947 -6.028 1.00 0.00 H new ATOM 726 N LYS A 50 -3.685 1.856 -6.016 1.00 0.00 N ATOM 727 CA LYS A 50 -4.667 1.226 -6.890 1.00 0.00 C ATOM 728 C LYS A 50 -5.456 0.157 -6.140 1.00 0.00 C ATOM 729 O LYS A 50 -6.670 0.035 -6.308 1.00 0.00 O ATOM 730 CB LYS A 50 -3.975 0.605 -8.106 1.00 0.00 C ATOM 731 CG LYS A 50 -3.135 -0.615 -7.770 1.00 0.00 C ATOM 732 CD LYS A 50 -2.417 -1.152 -8.997 1.00 0.00 C ATOM 733 CE LYS A 50 -1.721 -2.472 -8.701 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.402 -3.222 -9.948 1.00 0.00 N ATOM 0 H LYS A 50 -2.763 1.977 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.361 1.995 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.731 0.325 -8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.339 1.356 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.404 -0.355 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.773 -1.393 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.133 -1.290 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.684 -0.422 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.802 -2.282 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.358 -3.083 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.929 -4.115 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.281 -3.426 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.773 -2.649 -10.546 1.00 0.00 H new ATOM 748 N LEU A 51 -4.759 -0.615 -5.313 1.00 0.00 N ATOM 749 CA LEU A 51 -5.395 -1.673 -4.536 1.00 0.00 C ATOM 750 C LEU A 51 -6.276 -1.088 -3.437 1.00 0.00 C ATOM 751 O LEU A 51 -7.471 -1.373 -3.368 1.00 0.00 O ATOM 752 CB LEU A 51 -4.335 -2.589 -3.922 1.00 0.00 C ATOM 753 CG LEU A 51 -4.786 -4.012 -3.592 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.381 -4.681 -4.821 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.623 -4.828 -3.048 1.00 0.00 C ATOM 0 H LEU A 51 -3.754 -0.528 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.025 -2.255 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.492 -2.647 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.968 -2.124 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.557 -3.959 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.697 -5.693 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.242 -4.108 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.632 -4.722 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.963 -5.838 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.830 -4.873 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.242 -4.359 -2.141 1.00 0.00 H new ATOM 767 N ALA A 52 -5.678 -0.265 -2.582 1.00 0.00 N ATOM 768 CA ALA A 52 -6.410 0.364 -1.489 1.00 0.00 C ATOM 769 C ALA A 52 -7.770 0.868 -1.958 1.00 0.00 C ATOM 770 O ALA A 52 -8.784 0.663 -1.290 1.00 0.00 O ATOM 771 CB ALA A 52 -5.596 1.507 -0.899 1.00 0.00 C ATOM 0 H ALA A 52 -4.689 -0.018 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.577 -0.386 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.154 1.968 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.650 1.122 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.400 2.251 -1.671 1.00 0.00 H new ATOM 777 N VAL A 53 -7.787 1.530 -3.111 1.00 0.00 N ATOM 778 CA VAL A 53 -9.024 2.063 -3.669 1.00 0.00 C ATOM 779 C VAL A 53 -10.018 0.947 -3.966 1.00 0.00 C ATOM 780 O VAL A 53 -11.229 1.127 -3.831 1.00 0.00 O ATOM 781 CB VAL A 53 -8.759 2.857 -4.962 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.060 3.412 -5.524 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.760 3.975 -4.705 1.00 0.00 C ATOM 0 H VAL A 53 -6.958 1.710 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.447 2.732 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.331 2.181 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.853 3.970 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.740 2.590 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.520 4.074 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.584 4.526 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.158 4.652 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.821 3.549 -4.352 1.00 0.00 H new ATOM 793 N LEU A 54 -9.500 -0.208 -4.369 1.00 0.00 N ATOM 794 CA LEU A 54 -10.343 -1.356 -4.685 1.00 0.00 C ATOM 795 C LEU A 54 -10.857 -2.021 -3.412 1.00 0.00 C ATOM 796 O LEU A 54 -11.946 -2.597 -3.395 1.00 0.00 O ATOM 797 CB LEU A 54 -9.565 -2.370 -5.525 1.00 0.00 C ATOM 798 CG LEU A 54 -10.352 -3.590 -6.004 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.322 -3.200 -7.108 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.405 -4.681 -6.484 1.00 0.00 C ATOM 0 H LEU A 54 -8.500 -0.374 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.199 -1.000 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.163 -1.856 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.713 -2.719 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.927 -3.980 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.873 -4.081 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.022 -2.454 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.768 -2.785 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.983 -5.542 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.802 -4.302 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.751 -4.981 -5.665 1.00 0.00 H new ATOM 812 N LEU A 55 -10.067 -1.937 -2.347 1.00 0.00 N ATOM 813 CA LEU A 55 -10.443 -2.528 -1.067 1.00 0.00 C ATOM 814 C LEU A 55 -10.953 -1.462 -0.103 1.00 0.00 C ATOM 815 O LEU A 55 -11.211 -1.741 1.068 1.00 0.00 O ATOM 816 CB LEU A 55 -9.249 -3.259 -0.451 1.00 0.00 C ATOM 817 CG LEU A 55 -8.519 -4.243 -1.366 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.130 -4.545 -0.826 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.324 -5.526 -1.520 1.00 0.00 C ATOM 0 H LEU A 55 -9.162 -1.466 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.246 -3.242 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.532 -2.515 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.595 -3.801 0.429 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.412 -3.784 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.626 -5.247 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.553 -3.622 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.214 -4.983 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.789 -6.215 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.463 -5.988 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.297 -5.295 -1.954 1.00 0.00 H new ATOM 831 N HIS A 56 -11.099 -0.240 -0.604 1.00 0.00 N ATOM 832 CA HIS A 56 -11.582 0.868 0.212 1.00 0.00 C ATOM 833 C HIS A 56 -12.886 0.499 0.913 1.00 0.00 C ATOM 834 O HIS A 56 -13.746 -0.186 0.357 1.00 0.00 O ATOM 835 CB HIS A 56 -11.789 2.113 -0.651 1.00 0.00 C ATOM 836 CG HIS A 56 -11.495 3.395 0.066 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.422 4.406 0.211 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.370 3.827 0.682 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.879 5.405 0.883 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.634 5.078 1.182 1.00 0.00 N ATOM 0 H HIS A 56 -10.890 0.008 -1.571 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.830 1.082 0.971 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.151 2.044 -1.532 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.820 2.132 -1.005 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.438 3.288 0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.369 6.331 1.144 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.976 5.660 1.700 1.00 0.00 H new ATOM 848 N PRO A 57 -13.039 0.962 2.162 1.00 0.00 N ATOM 849 CA PRO A 57 -14.235 0.692 2.966 1.00 0.00 C ATOM 850 C PRO A 57 -15.464 1.425 2.440 1.00 0.00 C ATOM 851 O PRO A 57 -16.565 0.873 2.416 1.00 0.00 O ATOM 852 CB PRO A 57 -13.855 1.213 4.354 1.00 0.00 C ATOM 853 CG PRO A 57 -12.816 2.250 4.098 1.00 0.00 C ATOM 854 CD PRO A 57 -12.056 1.784 2.887 1.00 0.00 C ATOM 0 HA PRO A 57 -14.506 -0.364 2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.718 1.636 4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.469 0.413 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.272 3.224 3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.153 2.359 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.710 2.623 2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.175 1.205 3.164 1.00 0.00 H new ATOM 862 N ASP A 58 -15.270 2.670 2.019 1.00 0.00 N ATOM 863 CA ASP A 58 -16.363 3.478 1.491 1.00 0.00 C ATOM 864 C ASP A 58 -16.694 3.075 0.058 1.00 0.00 C ATOM 865 O ASP A 58 -17.619 3.612 -0.552 1.00 0.00 O ATOM 866 CB ASP A 58 -16.000 4.963 1.546 1.00 0.00 C ATOM 867 CG ASP A 58 -16.183 5.553 2.931 1.00 0.00 C ATOM 868 OD1 ASP A 58 -16.066 4.796 3.917 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.443 6.770 3.028 1.00 0.00 O ATOM 0 H ASP A 58 -14.366 3.142 2.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.243 3.304 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.964 5.093 1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.619 5.512 0.836 1.00 0.00 H new ATOM 874 N LYS A 59 -15.931 2.127 -0.476 1.00 0.00 N ATOM 875 CA LYS A 59 -16.142 1.651 -1.838 1.00 0.00 C ATOM 876 C LYS A 59 -16.500 0.169 -1.847 1.00 0.00 C ATOM 877 O LYS A 59 -17.239 -0.296 -2.716 1.00 0.00 O ATOM 878 CB LYS A 59 -14.888 1.889 -2.683 1.00 0.00 C ATOM 879 CG LYS A 59 -14.458 3.344 -2.739 1.00 0.00 C ATOM 880 CD LYS A 59 -13.566 3.617 -3.937 1.00 0.00 C ATOM 881 CE LYS A 59 -14.378 3.772 -5.214 1.00 0.00 C ATOM 882 NZ LYS A 59 -13.626 4.515 -6.263 1.00 0.00 N ATOM 0 H LYS A 59 -15.160 1.673 0.014 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.974 2.210 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.070 1.293 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.071 1.534 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.340 3.983 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.927 3.603 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.986 4.523 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.853 2.801 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.651 2.787 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.307 4.297 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.213 4.599 -7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.387 5.464 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.752 4.001 -6.493 1.00 0.00 H new ATOM 896 N CYS A 60 -15.975 -0.568 -0.874 1.00 0.00 N ATOM 897 CA CYS A 60 -16.241 -1.998 -0.770 1.00 0.00 C ATOM 898 C CYS A 60 -16.855 -2.340 0.583 1.00 0.00 C ATOM 899 O CYS A 60 -16.165 -2.361 1.603 1.00 0.00 O ATOM 900 CB CYS A 60 -14.951 -2.794 -0.974 1.00 0.00 C ATOM 901 SG CYS A 60 -15.214 -4.532 -1.397 1.00 0.00 S ATOM 0 H CYS A 60 -15.363 -0.199 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.953 -2.268 -1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.368 -2.323 -1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.355 -2.739 -0.063 1.00 0.00 H new ATOM 0 HG CYS A 60 -14.065 -5.120 -1.551 1.00 0.00 H new ATOM 907 N VAL A 61 -18.157 -2.606 0.587 1.00 0.00 N ATOM 908 CA VAL A 61 -18.865 -2.946 1.815 1.00 0.00 C ATOM 909 C VAL A 61 -18.742 -4.433 2.126 1.00 0.00 C ATOM 910 O VAL A 61 -19.416 -4.948 3.018 1.00 0.00 O ATOM 911 CB VAL A 61 -20.357 -2.572 1.725 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.519 -1.103 1.368 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.067 -3.457 0.711 1.00 0.00 C ATOM 0 H VAL A 61 -18.743 -2.593 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.402 -2.371 2.617 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.814 -2.736 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.579 -0.858 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.046 -0.488 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.047 -0.909 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.120 -3.179 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.609 -3.326 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.981 -4.500 1.015 1.00 0.00 H new ATOM 923 N ALA A 62 -17.878 -5.118 1.385 1.00 0.00 N ATOM 924 CA ALA A 62 -17.665 -6.546 1.583 1.00 0.00 C ATOM 925 C ALA A 62 -17.182 -6.837 3.000 1.00 0.00 C ATOM 926 O ALA A 62 -16.572 -5.995 3.660 1.00 0.00 O ATOM 927 CB ALA A 62 -16.668 -7.077 0.564 1.00 0.00 C ATOM 0 H ALA A 62 -17.314 -4.707 0.641 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.619 -7.054 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.518 -8.145 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.053 -6.911 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.717 -6.556 0.679 1.00 0.00 H new ATOM 933 N PRO A 63 -17.459 -8.058 3.481 1.00 0.00 N ATOM 934 CA PRO A 63 -17.062 -8.488 4.825 1.00 0.00 C ATOM 935 C PRO A 63 -15.554 -8.674 4.952 1.00 0.00 C ATOM 936 O PRO A 63 -14.993 -8.553 6.040 1.00 0.00 O ATOM 937 CB PRO A 63 -17.782 -9.828 4.996 1.00 0.00 C ATOM 938 CG PRO A 63 -17.981 -10.331 3.608 1.00 0.00 C ATOM 939 CD PRO A 63 -18.182 -9.112 2.750 1.00 0.00 C ATOM 0 HA PRO A 63 -17.322 -7.749 5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.188 -10.524 5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.734 -9.703 5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.117 -10.905 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.845 -10.993 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.778 -9.255 1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.239 -8.870 2.637 1.00 0.00 H new ATOM 947 N GLY A 64 -14.902 -8.969 3.832 1.00 0.00 N ATOM 948 CA GLY A 64 -13.464 -9.167 3.840 1.00 0.00 C ATOM 949 C GLY A 64 -12.705 -7.912 3.459 1.00 0.00 C ATOM 950 O GLY A 64 -11.583 -7.694 3.917 1.00 0.00 O ATOM 0 H GLY A 64 -15.344 -9.075 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.150 -9.491 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.207 -9.968 3.147 1.00 0.00 H new ATOM 954 N SER A 65 -13.316 -7.084 2.618 1.00 0.00 N ATOM 955 CA SER A 65 -12.687 -5.846 2.171 1.00 0.00 C ATOM 956 C SER A 65 -11.924 -5.182 3.313 1.00 0.00 C ATOM 957 O SER A 65 -10.782 -4.754 3.143 1.00 0.00 O ATOM 958 CB SER A 65 -13.741 -4.884 1.620 1.00 0.00 C ATOM 959 OG SER A 65 -14.568 -4.384 2.658 1.00 0.00 O ATOM 0 H SER A 65 -14.246 -7.248 2.232 1.00 0.00 H new ATOM 0 HA SER A 65 -11.980 -6.092 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.250 -4.055 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.353 -5.397 0.878 1.00 0.00 H new ATOM 0 HG SER A 65 -15.208 -5.075 2.928 1.00 0.00 H new ATOM 965 N GLU A 66 -12.563 -5.100 4.476 1.00 0.00 N ATOM 966 CA GLU A 66 -11.944 -4.488 5.645 1.00 0.00 C ATOM 967 C GLU A 66 -10.584 -5.118 5.935 1.00 0.00 C ATOM 968 O GLU A 66 -9.556 -4.442 5.900 1.00 0.00 O ATOM 969 CB GLU A 66 -12.855 -4.632 6.866 1.00 0.00 C ATOM 970 CG GLU A 66 -12.241 -4.101 8.150 1.00 0.00 C ATOM 971 CD GLU A 66 -12.521 -2.626 8.365 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.102 -1.813 7.515 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.160 -2.285 9.382 1.00 0.00 O ATOM 0 H GLU A 66 -13.508 -5.450 4.633 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.796 -3.429 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.790 -4.105 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.104 -5.685 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.630 -4.668 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.163 -4.263 8.127 1.00 0.00 H new ATOM 980 N ASP A 67 -10.589 -6.415 6.220 1.00 0.00 N ATOM 981 CA ASP A 67 -9.357 -7.137 6.514 1.00 0.00 C ATOM 982 C ASP A 67 -8.325 -6.924 5.412 1.00 0.00 C ATOM 983 O ASP A 67 -7.147 -6.698 5.686 1.00 0.00 O ATOM 984 CB ASP A 67 -9.643 -8.631 6.680 1.00 0.00 C ATOM 985 CG ASP A 67 -8.470 -9.495 6.262 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.139 -9.504 5.058 1.00 0.00 O ATOM 987 OD2 ASP A 67 -7.882 -10.163 7.139 1.00 0.00 O ATOM 0 H ASP A 67 -11.432 -6.988 6.254 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.951 -6.747 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.889 -8.837 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.517 -8.899 6.087 1.00 0.00 H new ATOM 992 N ALA A 68 -8.775 -6.999 4.164 1.00 0.00 N ATOM 993 CA ALA A 68 -7.892 -6.813 3.020 1.00 0.00 C ATOM 994 C ALA A 68 -7.109 -5.510 3.137 1.00 0.00 C ATOM 995 O ALA A 68 -5.882 -5.499 3.033 1.00 0.00 O ATOM 996 CB ALA A 68 -8.691 -6.836 1.725 1.00 0.00 C ATOM 0 H ALA A 68 -9.747 -7.188 3.920 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.178 -7.636 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.018 -6.696 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.200 -7.795 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.429 -6.034 1.738 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.825 -4.412 3.354 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.197 -3.102 3.484 1.00 0.00 C ATOM 1004 C PHE A 69 -6.151 -3.108 4.595 1.00 0.00 C ATOM 1005 O PHE A 69 -5.053 -2.576 4.433 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.253 -2.032 3.768 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.721 -0.630 3.696 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.097 -0.169 2.547 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.843 0.228 4.777 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.606 1.121 2.478 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.354 1.519 4.713 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.734 1.966 3.563 1.00 0.00 C ATOM 0 H PHE A 69 -8.841 -4.403 3.444 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.700 -2.870 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.069 -2.140 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.673 -2.202 4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.993 -0.826 1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.326 -0.116 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.123 1.468 1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.457 2.178 5.562 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.350 2.974 3.512 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.501 -3.714 5.724 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.594 -3.791 6.864 1.00 0.00 C ATOM 1024 C LYS A 70 -4.296 -4.493 6.479 1.00 0.00 C ATOM 1025 O LYS A 70 -3.205 -4.009 6.779 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.262 -4.532 8.024 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.046 -3.623 8.955 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.223 -4.350 9.584 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.807 -5.107 10.835 1.00 0.00 C ATOM 1030 NZ LYS A 70 -7.475 -4.186 11.957 1.00 0.00 N ATOM 0 H LYS A 70 -7.406 -4.159 5.875 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.358 -2.774 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.933 -5.291 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.497 -5.055 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.388 -3.248 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.407 -2.757 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.004 -3.632 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.650 -5.046 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.613 -5.775 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.943 -5.732 10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.528 -4.703 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.513 -3.814 11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.152 -3.397 11.970 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.421 -5.637 5.813 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.258 -6.403 5.385 1.00 0.00 C ATOM 1046 C ALA A 71 -2.355 -5.570 4.481 1.00 0.00 C ATOM 1047 O ALA A 71 -1.139 -5.524 4.673 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.696 -7.673 4.671 1.00 0.00 C ATOM 0 H ALA A 71 -5.317 -6.053 5.559 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.687 -6.677 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.817 -8.235 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.294 -8.283 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.291 -7.412 3.796 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.956 -4.914 3.493 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.206 -4.083 2.559 1.00 0.00 C ATOM 1056 C VAL A 72 -1.234 -3.169 3.296 1.00 0.00 C ATOM 1057 O VAL A 72 -0.036 -3.161 3.013 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.146 -3.224 1.693 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.343 -2.310 0.779 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.084 -4.109 0.886 1.00 0.00 C ATOM 0 H VAL A 72 -3.961 -4.942 3.319 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.646 -4.759 1.913 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.750 -2.600 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.024 -1.711 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.717 -1.652 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.712 -2.912 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.741 -3.485 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.500 -4.760 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.684 -4.717 1.564 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.758 -2.398 4.244 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.937 -1.480 5.024 1.00 0.00 C ATOM 1072 C VAL A 73 0.245 -2.204 5.660 1.00 0.00 C ATOM 1073 O VAL A 73 1.399 -1.838 5.444 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.759 -0.792 6.130 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.867 0.093 6.987 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.898 0.013 5.524 1.00 0.00 C ATOM 0 H VAL A 73 -2.748 -2.391 4.490 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.566 -0.723 4.333 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.189 -1.562 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.466 0.570 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.090 -0.514 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.406 0.858 6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.468 0.492 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.491 0.775 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.552 -0.651 4.958 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.053 -3.235 6.444 1.00 0.00 N ATOM 1087 CA ASN A 74 0.985 -4.011 7.113 1.00 0.00 C ATOM 1088 C ASN A 74 2.062 -4.445 6.123 1.00 0.00 C ATOM 1089 O ASN A 74 3.226 -4.607 6.488 1.00 0.00 O ATOM 1090 CB ASN A 74 0.375 -5.240 7.791 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.092 -4.948 9.204 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.273 -3.930 9.793 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.905 -5.842 9.754 1.00 0.00 N ATOM 0 H ASN A 74 -1.004 -3.552 6.632 1.00 0.00 H new ATOM 0 HA ASN A 74 1.446 -3.378 7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.468 -5.597 7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.112 -6.043 7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.253 -5.699 10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.181 -6.671 9.228 1.00 0.00 H new ATOM 1100 N ALA A 75 1.664 -4.631 4.868 1.00 0.00 N ATOM 1101 CA ALA A 75 2.595 -5.043 3.825 1.00 0.00 C ATOM 1102 C ALA A 75 3.407 -3.858 3.314 1.00 0.00 C ATOM 1103 O ALA A 75 4.632 -3.835 3.434 1.00 0.00 O ATOM 1104 CB ALA A 75 1.844 -5.705 2.679 1.00 0.00 C ATOM 0 H ALA A 75 0.703 -4.503 4.550 1.00 0.00 H new ATOM 0 HA ALA A 75 3.288 -5.765 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.552 -6.008 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.314 -6.582 3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.128 -5.000 2.258 1.00 0.00 H new ATOM 1110 N ARG A 76 2.717 -2.876 2.743 1.00 0.00 N ATOM 1111 CA ARG A 76 3.374 -1.688 2.212 1.00 0.00 C ATOM 1112 C ARG A 76 4.223 -1.011 3.284 1.00 0.00 C ATOM 1113 O ARG A 76 5.449 -0.961 3.182 1.00 0.00 O ATOM 1114 CB ARG A 76 2.336 -0.704 1.671 1.00 0.00 C ATOM 1115 CG ARG A 76 2.918 0.649 1.295 1.00 0.00 C ATOM 1116 CD ARG A 76 1.909 1.768 1.506 1.00 0.00 C ATOM 1117 NE ARG A 76 2.557 3.066 1.668 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.002 4.090 2.306 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.794 3.967 2.839 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.654 5.241 2.412 1.00 0.00 N ATOM 0 H ARG A 76 1.703 -2.880 2.636 1.00 0.00 H new ATOM 0 HA ARG A 76 4.029 -1.999 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.856 -1.140 0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.559 -0.560 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.808 0.843 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.233 0.634 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.228 1.807 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.306 1.551 2.388 1.00 0.00 H new ATOM 0 HE ARG A 76 3.487 3.193 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.289 3.084 2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.370 4.755 3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.583 5.340 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.226 6.026 2.902 1.00 0.00 H new ATOM 1134 N THR A 77 3.562 -0.490 4.313 1.00 0.00 N ATOM 1135 CA THR A 77 4.254 0.186 5.403 1.00 0.00 C ATOM 1136 C THR A 77 5.567 -0.514 5.738 1.00 0.00 C ATOM 1137 O THR A 77 6.602 0.132 5.896 1.00 0.00 O ATOM 1138 CB THR A 77 3.381 0.248 6.671 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.172 0.964 6.398 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.129 0.921 7.811 1.00 0.00 C ATOM 0 H THR A 77 2.548 -0.523 4.414 1.00 0.00 H new ATOM 0 HA THR A 77 4.462 1.201 5.064 1.00 0.00 H new ATOM 0 HB THR A 77 3.139 -0.772 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.697 1.137 7.238 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.492 0.953 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.034 0.357 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.398 1.937 7.520 1.00 0.00 H new ATOM 1148 N ALA A 78 5.516 -1.837 5.844 1.00 0.00 N ATOM 1149 CA ALA A 78 6.703 -2.624 6.157 1.00 0.00 C ATOM 1150 C ALA A 78 7.753 -2.495 5.059 1.00 0.00 C ATOM 1151 O ALA A 78 8.909 -2.164 5.327 1.00 0.00 O ATOM 1152 CB ALA A 78 6.328 -4.085 6.363 1.00 0.00 C ATOM 0 H ALA A 78 4.666 -2.387 5.718 1.00 0.00 H new ATOM 0 HA ALA A 78 7.133 -2.236 7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.223 -4.661 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.620 -4.166 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.872 -4.475 5.453 1.00 0.00 H new ATOM 1158 N LEU A 79 7.345 -2.759 3.823 1.00 0.00 N ATOM 1159 CA LEU A 79 8.252 -2.673 2.683 1.00 0.00 C ATOM 1160 C LEU A 79 8.984 -1.335 2.671 1.00 0.00 C ATOM 1161 O LEU A 79 10.213 -1.287 2.746 1.00 0.00 O ATOM 1162 CB LEU A 79 7.479 -2.856 1.376 1.00 0.00 C ATOM 1163 CG LEU A 79 6.853 -4.234 1.154 1.00 0.00 C ATOM 1164 CD1 LEU A 79 6.144 -4.287 -0.190 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.913 -5.322 1.244 1.00 0.00 C ATOM 0 H LEU A 79 6.392 -3.034 3.584 1.00 0.00 H new ATOM 0 HA LEU A 79 8.990 -3.470 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.687 -2.109 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.154 -2.647 0.546 1.00 0.00 H new ATOM 0 HG LEU A 79 6.116 -4.408 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.705 -5.275 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.357 -3.533 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.861 -4.092 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.450 -6.296 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.674 -5.152 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.376 -5.299 2.231 1.00 0.00 H new ATOM 1177 N LEU A 80 8.223 -0.250 2.577 1.00 0.00 N ATOM 1178 CA LEU A 80 8.800 1.090 2.557 1.00 0.00 C ATOM 1179 C LEU A 80 9.961 1.197 3.540 1.00 0.00 C ATOM 1180 O LEU A 80 11.092 1.490 3.152 1.00 0.00 O ATOM 1181 CB LEU A 80 7.731 2.131 2.897 1.00 0.00 C ATOM 1182 CG LEU A 80 6.469 2.103 2.034 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.425 3.061 2.585 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.803 2.449 0.590 1.00 0.00 C ATOM 0 H LEU A 80 7.205 -0.272 2.513 1.00 0.00 H new ATOM 0 HA LEU A 80 9.179 1.282 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.438 1.995 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.179 3.122 2.818 1.00 0.00 H new ATOM 0 HG LEU A 80 6.057 1.094 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.534 3.028 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.164 2.769 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.827 4.074 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.893 2.424 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.239 3.447 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.516 1.724 0.198 1.00 0.00 H new ATOM 1196 N LYS A 81 9.675 0.957 4.815 1.00 0.00 N ATOM 1197 CA LYS A 81 10.695 1.024 5.855 1.00 0.00 C ATOM 1198 C LYS A 81 12.013 0.433 5.362 1.00 0.00 C ATOM 1199 O LYS A 81 13.086 0.960 5.652 1.00 0.00 O ATOM 1200 CB LYS A 81 10.227 0.278 7.106 1.00 0.00 C ATOM 1201 CG LYS A 81 8.967 0.860 7.725 1.00 0.00 C ATOM 1202 CD LYS A 81 8.229 -0.172 8.561 1.00 0.00 C ATOM 1203 CE LYS A 81 8.699 -0.156 10.008 1.00 0.00 C ATOM 1204 NZ LYS A 81 7.903 0.789 10.839 1.00 0.00 N ATOM 0 H LYS A 81 8.744 0.714 5.153 1.00 0.00 H new ATOM 0 HA LYS A 81 10.857 2.073 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.047 -0.766 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.026 0.292 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.228 1.715 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.310 1.229 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.158 0.026 8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.385 -1.164 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.623 -1.160 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.751 0.126 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.254 0.771 11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.996 1.751 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.902 0.506 10.825 1.00 0.00 H new ATOM 1218 N ASN A 82 11.923 -0.662 4.615 1.00 0.00 N ATOM 1219 CA ASN A 82 13.108 -1.323 4.081 1.00 0.00 C ATOM 1220 C ASN A 82 13.671 -0.552 2.891 1.00 0.00 C ATOM 1221 O ASN A 82 14.886 -0.489 2.699 1.00 0.00 O ATOM 1222 CB ASN A 82 12.774 -2.756 3.663 1.00 0.00 C ATOM 1223 CG ASN A 82 12.764 -3.714 4.838 1.00 0.00 C ATOM 1224 OD1 ASN A 82 11.775 -4.408 5.080 1.00 0.00 O ATOM 1225 ND2 ASN A 82 13.867 -3.757 5.576 1.00 0.00 N ATOM 0 H ASN A 82 11.042 -1.111 4.366 1.00 0.00 H new ATOM 0 HA ASN A 82 13.864 -1.348 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.799 -2.772 3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.503 -3.096 2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.919 -4.383 6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.663 -3.164 5.339 1.00 0.00 H new ATOM 1232 N ILE A 83 12.781 0.032 2.097 1.00 0.00 N ATOM 1233 CA ILE A 83 13.189 0.800 0.927 1.00 0.00 C ATOM 1234 C ILE A 83 14.274 1.810 1.284 1.00 0.00 C ATOM 1235 O ILE A 83 14.980 2.314 0.410 1.00 0.00 O ATOM 1236 CB ILE A 83 11.997 1.545 0.298 1.00 0.00 C ATOM 1237 CG1 ILE A 83 10.870 0.563 -0.030 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.438 2.291 -0.952 1.00 0.00 C ATOM 1239 CD1 ILE A 83 11.172 -0.331 -1.212 1.00 0.00 C ATOM 0 H ILE A 83 11.772 -0.012 2.242 1.00 0.00 H new ATOM 0 HA ILE A 83 13.583 0.087 0.203 1.00 0.00 H new ATOM 0 HB ILE A 83 11.622 2.273 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 83 10.674 -0.058 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.958 1.124 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.584 2.812 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 83 13.210 3.014 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.836 1.582 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.330 -1.001 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.338 0.281 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.066 -0.919 -1.004 1.00 0.00 H new ATOM 1251 N LYS A 84 14.403 2.101 2.574 1.00 0.00 N ATOM 1252 CA LYS A 84 15.404 3.048 3.049 1.00 0.00 C ATOM 1253 C LYS A 84 16.790 2.412 3.067 1.00 0.00 C ATOM 1254 O LYS A 84 17.703 2.909 3.726 1.00 0.00 O ATOM 1255 CB LYS A 84 15.041 3.545 4.450 1.00 0.00 C ATOM 1256 CG LYS A 84 13.827 4.457 4.477 1.00 0.00 C ATOM 1257 CD LYS A 84 13.617 5.066 5.853 1.00 0.00 C ATOM 1258 CE LYS A 84 14.471 6.309 6.049 1.00 0.00 C ATOM 1259 NZ LYS A 84 13.914 7.206 7.099 1.00 0.00 N ATOM 0 H LYS A 84 13.826 1.694 3.310 1.00 0.00 H new ATOM 0 HA LYS A 84 15.421 3.895 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.854 2.686 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 84 15.894 4.078 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.952 5.252 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.940 3.892 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.565 5.322 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.862 4.330 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.484 6.014 6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.542 6.853 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.525 8.041 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.957 7.508 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.870 6.696 8.004 1.00 0.00 H new ATOM 1273 N SER A 85 16.941 1.311 2.337 1.00 0.00 N ATOM 1274 CA SER A 85 18.215 0.606 2.272 1.00 0.00 C ATOM 1275 C SER A 85 19.347 1.562 1.905 1.00 0.00 C ATOM 1276 O SER A 85 19.118 2.743 1.650 1.00 0.00 O ATOM 1277 CB SER A 85 18.142 -0.530 1.250 1.00 0.00 C ATOM 1278 OG SER A 85 18.135 -0.026 -0.074 1.00 0.00 O ATOM 0 H SER A 85 16.196 0.888 1.783 1.00 0.00 H new ATOM 0 HA SER A 85 18.421 0.187 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.993 -1.198 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.242 -1.121 1.422 1.00 0.00 H new ATOM 0 HG SER A 85 18.090 -0.772 -0.708 1.00 0.00 H new ATOM 1284 N GLY A 86 20.570 1.040 1.882 1.00 0.00 N ATOM 1285 CA GLY A 86 21.719 1.860 1.546 1.00 0.00 C ATOM 1286 C GLY A 86 22.697 1.987 2.698 1.00 0.00 C ATOM 1287 O GLY A 86 23.721 1.306 2.749 1.00 0.00 O ATOM 0 H GLY A 86 20.785 0.065 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 86 22.230 1.429 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 86 21.379 2.853 1.251 1.00 0.00 H new ATOM 1291 N PRO A 87 22.383 2.879 3.649 1.00 0.00 N ATOM 1292 CA PRO A 87 23.230 3.115 4.822 1.00 0.00 C ATOM 1293 C PRO A 87 23.223 1.936 5.789 1.00 0.00 C ATOM 1294 O PRO A 87 22.471 1.924 6.763 1.00 0.00 O ATOM 1295 CB PRO A 87 22.595 4.345 5.476 1.00 0.00 C ATOM 1296 CG PRO A 87 21.172 4.316 5.035 1.00 0.00 C ATOM 1297 CD PRO A 87 21.178 3.726 3.653 1.00 0.00 C ATOM 0 HA PRO A 87 24.276 3.252 4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 87 22.674 4.301 6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 87 23.090 5.263 5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.566 3.715 5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 87 20.745 5.319 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 87 20.277 3.144 3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 87 21.228 4.499 2.886 1.00 0.00 H new ATOM 1305 N SER A 88 24.066 0.946 5.513 1.00 0.00 N ATOM 1306 CA SER A 88 24.155 -0.240 6.357 1.00 0.00 C ATOM 1307 C SER A 88 25.581 -0.782 6.384 1.00 0.00 C ATOM 1308 O SER A 88 26.310 -0.693 5.396 1.00 0.00 O ATOM 1309 CB SER A 88 23.196 -1.321 5.855 1.00 0.00 C ATOM 1310 OG SER A 88 23.239 -2.467 6.688 1.00 0.00 O ATOM 0 H SER A 88 24.697 0.942 4.712 1.00 0.00 H new ATOM 0 HA SER A 88 23.874 0.044 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 88 22.180 -0.926 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.459 -1.599 4.834 1.00 0.00 H new ATOM 0 HG SER A 88 22.616 -3.143 6.347 1.00 0.00 H new ATOM 1316 N SER A 89 25.972 -1.343 7.524 1.00 0.00 N ATOM 1317 CA SER A 89 27.312 -1.896 7.683 1.00 0.00 C ATOM 1318 C SER A 89 27.374 -3.328 7.160 1.00 0.00 C ATOM 1319 O SER A 89 28.276 -3.686 6.404 1.00 0.00 O ATOM 1320 CB SER A 89 27.731 -1.859 9.154 1.00 0.00 C ATOM 1321 OG SER A 89 29.088 -2.236 9.308 1.00 0.00 O ATOM 0 H SER A 89 25.380 -1.427 8.351 1.00 0.00 H new ATOM 0 HA SER A 89 28.002 -1.285 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 89 27.582 -0.856 9.553 1.00 0.00 H new ATOM 0 HB3 SER A 89 27.096 -2.530 9.733 1.00 0.00 H new ATOM 0 HG SER A 89 29.331 -2.203 10.257 1.00 0.00 H new ATOM 1327 N GLY A 90 26.407 -4.143 7.570 1.00 0.00 N ATOM 1328 CA GLY A 90 26.370 -5.527 7.135 1.00 0.00 C ATOM 1329 C GLY A 90 27.576 -6.316 7.604 1.00 0.00 C ATOM 1330 O GLY A 90 27.444 -7.259 8.383 1.00 0.00 O ATOM 0 H GLY A 90 25.649 -3.870 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 90 25.462 -5.999 7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 90 26.319 -5.561 6.047 1.00 0.00 H new TER 1334 GLY A 90