USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot -90:sc= 0.248 USER MOD Set 1.2: A 24 GLN : amide:sc= 2.87 K(o=3.1,f=-3.9!) USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0179) 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0468 K(o=-0.047,f=-0.96) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= -0.493 (180deg=-1.18!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 49:sc= -2.58 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 3:sc= 0.402 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.704! C(o=-0.7!,f=-3.2!) USER MOD Single : A 50 THR OG1 : rot -79:sc= 0.572 USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.17 (180deg=-0.743) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 123:sc= 0.253 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0.0378 X(o=0.038,f=-0.039) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.486 24.069 -21.620 1.00 0.00 N ATOM 2 CA GLY A 1 13.569 22.987 -21.311 1.00 0.00 C ATOM 3 C GLY A 1 13.237 22.144 -22.526 1.00 0.00 C ATOM 4 O GLY A 1 12.081 21.778 -22.740 1.00 0.00 O ATOM 0 H1 GLY A 1 14.629 24.656 -20.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.398 23.674 -21.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.089 24.653 -22.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.007 22.352 -20.541 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.649 23.401 -20.898 1.00 0.00 H new ATOM 8 N SER A 2 14.253 21.836 -23.326 1.00 0.00 N ATOM 9 CA SER A 2 14.061 21.035 -24.530 1.00 0.00 C ATOM 10 C SER A 2 13.467 19.673 -24.187 1.00 0.00 C ATOM 11 O SER A 2 12.446 19.270 -24.746 1.00 0.00 O ATOM 12 CB SER A 2 15.392 20.854 -25.263 1.00 0.00 C ATOM 13 OG SER A 2 15.849 22.082 -25.800 1.00 0.00 O ATOM 0 H SER A 2 15.216 22.128 -23.163 1.00 0.00 H new ATOM 0 HA SER A 2 13.364 21.562 -25.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.138 20.454 -24.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.273 20.125 -26.064 1.00 0.00 H new ATOM 0 HG SER A 2 16.702 21.940 -26.262 1.00 0.00 H new ATOM 19 N SER A 3 14.111 18.968 -23.264 1.00 0.00 N ATOM 20 CA SER A 3 13.650 17.649 -22.847 1.00 0.00 C ATOM 21 C SER A 3 12.202 17.706 -22.367 1.00 0.00 C ATOM 22 O SER A 3 11.327 17.044 -22.920 1.00 0.00 O ATOM 23 CB SER A 3 14.546 17.097 -21.737 1.00 0.00 C ATOM 24 OG SER A 3 15.791 16.663 -22.256 1.00 0.00 O ATOM 0 H SER A 3 14.955 19.288 -22.790 1.00 0.00 H new ATOM 0 HA SER A 3 13.703 16.985 -23.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.711 17.866 -20.982 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.045 16.266 -21.241 1.00 0.00 H new ATOM 0 HG SER A 3 16.346 16.316 -21.527 1.00 0.00 H new ATOM 30 N GLY A 4 11.961 18.504 -21.331 1.00 0.00 N ATOM 31 CA GLY A 4 10.620 18.635 -20.792 1.00 0.00 C ATOM 32 C GLY A 4 10.614 18.785 -19.283 1.00 0.00 C ATOM 33 O GLY A 4 11.116 17.919 -18.566 1.00 0.00 O ATOM 0 H GLY A 4 12.670 19.062 -20.856 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.134 19.500 -21.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.033 17.759 -21.069 1.00 0.00 H new ATOM 37 N SER A 5 10.045 19.884 -18.802 1.00 0.00 N ATOM 38 CA SER A 5 9.981 20.146 -17.369 1.00 0.00 C ATOM 39 C SER A 5 9.597 18.884 -16.602 1.00 0.00 C ATOM 40 O SER A 5 10.365 18.386 -15.780 1.00 0.00 O ATOM 41 CB SER A 5 8.974 21.260 -17.077 1.00 0.00 C ATOM 42 OG SER A 5 9.509 22.531 -17.405 1.00 0.00 O ATOM 0 H SER A 5 9.622 20.608 -19.383 1.00 0.00 H new ATOM 0 HA SER A 5 10.970 20.464 -17.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.061 21.088 -17.648 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.699 21.239 -16.022 1.00 0.00 H new ATOM 0 HG SER A 5 8.845 23.225 -17.211 1.00 0.00 H new ATOM 48 N SER A 6 8.401 18.373 -16.879 1.00 0.00 N ATOM 49 CA SER A 6 7.911 17.171 -16.213 1.00 0.00 C ATOM 50 C SER A 6 6.914 16.430 -17.097 1.00 0.00 C ATOM 51 O SER A 6 5.980 17.026 -17.634 1.00 0.00 O ATOM 52 CB SER A 6 7.258 17.533 -14.878 1.00 0.00 C ATOM 53 OG SER A 6 5.964 18.075 -15.074 1.00 0.00 O ATOM 0 H SER A 6 7.754 18.772 -17.559 1.00 0.00 H new ATOM 0 HA SER A 6 8.761 16.515 -16.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.192 16.645 -14.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.881 18.254 -14.348 1.00 0.00 H new ATOM 0 HG SER A 6 5.567 18.297 -14.206 1.00 0.00 H new ATOM 59 N GLY A 7 7.116 15.124 -17.242 1.00 0.00 N ATOM 60 CA GLY A 7 6.227 14.321 -18.061 1.00 0.00 C ATOM 61 C GLY A 7 5.044 13.787 -17.280 1.00 0.00 C ATOM 62 O GLY A 7 5.189 13.358 -16.135 1.00 0.00 O ATOM 0 H GLY A 7 7.880 14.607 -16.806 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.866 14.921 -18.896 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.784 13.486 -18.486 1.00 0.00 H new ATOM 66 N ALA A 8 3.867 13.813 -17.898 1.00 0.00 N ATOM 67 CA ALA A 8 2.654 13.328 -17.254 1.00 0.00 C ATOM 68 C ALA A 8 2.170 12.034 -17.899 1.00 0.00 C ATOM 69 O ALA A 8 2.032 11.951 -19.119 1.00 0.00 O ATOM 70 CB ALA A 8 1.565 14.388 -17.311 1.00 0.00 C ATOM 0 H ALA A 8 3.729 14.166 -18.845 1.00 0.00 H new ATOM 0 HA ALA A 8 2.886 13.118 -16.210 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.665 14.011 -16.826 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.905 15.287 -16.797 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.344 14.627 -18.351 1.00 0.00 H new ATOM 76 N TYR A 9 1.915 11.026 -17.072 1.00 0.00 N ATOM 77 CA TYR A 9 1.449 9.734 -17.563 1.00 0.00 C ATOM 78 C TYR A 9 0.353 9.172 -16.662 1.00 0.00 C ATOM 79 O TYR A 9 0.414 9.263 -15.437 1.00 0.00 O ATOM 80 CB TYR A 9 2.614 8.745 -17.646 1.00 0.00 C ATOM 81 CG TYR A 9 2.375 7.609 -18.613 1.00 0.00 C ATOM 82 CD1 TYR A 9 2.452 7.810 -19.987 1.00 0.00 C ATOM 83 CD2 TYR A 9 2.072 6.332 -18.155 1.00 0.00 C ATOM 84 CE1 TYR A 9 2.235 6.774 -20.874 1.00 0.00 C ATOM 85 CE2 TYR A 9 1.855 5.290 -19.035 1.00 0.00 C ATOM 86 CZ TYR A 9 1.936 5.516 -20.394 1.00 0.00 C ATOM 87 OH TYR A 9 1.719 4.482 -21.274 1.00 0.00 O ATOM 0 H TYR A 9 2.023 11.078 -16.059 1.00 0.00 H new ATOM 0 HA TYR A 9 1.035 9.881 -18.560 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.515 9.282 -17.944 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.802 8.334 -16.654 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.686 8.794 -20.367 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.005 6.152 -17.092 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.299 6.948 -21.938 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.623 4.303 -18.662 1.00 0.00 H new ATOM 0 HH TYR A 9 1.521 3.663 -20.774 1.00 0.00 H new ATOM 97 N PRO A 10 -0.674 8.575 -17.284 1.00 0.00 N ATOM 98 CA PRO A 10 -1.802 7.984 -16.559 1.00 0.00 C ATOM 99 C PRO A 10 -1.407 6.725 -15.795 1.00 0.00 C ATOM 100 O PRO A 10 -0.512 5.991 -16.213 1.00 0.00 O ATOM 101 CB PRO A 10 -2.798 7.644 -17.671 1.00 0.00 C ATOM 102 CG PRO A 10 -1.962 7.470 -18.890 1.00 0.00 C ATOM 103 CD PRO A 10 -0.812 8.429 -18.743 1.00 0.00 C ATOM 0 HA PRO A 10 -2.199 8.661 -15.803 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.354 6.736 -17.440 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.530 8.441 -17.804 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.606 6.443 -18.976 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.536 7.684 -19.791 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.099 8.037 -19.196 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.021 9.384 -19.224 1.00 0.00 H new ATOM 111 N ASP A 11 -2.079 6.482 -14.675 1.00 0.00 N ATOM 112 CA ASP A 11 -1.797 5.311 -13.853 1.00 0.00 C ATOM 113 C ASP A 11 -3.004 4.950 -12.991 1.00 0.00 C ATOM 114 O ASP A 11 -3.698 5.826 -12.479 1.00 0.00 O ATOM 115 CB ASP A 11 -0.578 5.565 -12.966 1.00 0.00 C ATOM 116 CG ASP A 11 0.038 4.280 -12.446 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.497 3.719 -11.468 1.00 0.00 O ATOM 118 OD2 ASP A 11 1.054 3.837 -13.020 1.00 0.00 O ATOM 0 H ASP A 11 -2.823 7.080 -14.316 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.584 4.474 -14.517 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.170 6.120 -13.532 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.870 6.192 -12.123 1.00 0.00 H new ATOM 123 N PHE A 12 -3.247 3.652 -12.839 1.00 0.00 N ATOM 124 CA PHE A 12 -4.371 3.175 -12.042 1.00 0.00 C ATOM 125 C PHE A 12 -4.081 3.322 -10.551 1.00 0.00 C ATOM 126 O PHE A 12 -2.927 3.299 -10.127 1.00 0.00 O ATOM 127 CB PHE A 12 -4.672 1.711 -12.373 1.00 0.00 C ATOM 128 CG PHE A 12 -5.254 1.513 -13.742 1.00 0.00 C ATOM 129 CD1 PHE A 12 -6.584 1.810 -13.995 1.00 0.00 C ATOM 130 CD2 PHE A 12 -4.473 1.029 -14.779 1.00 0.00 C ATOM 131 CE1 PHE A 12 -7.123 1.628 -15.254 1.00 0.00 C ATOM 132 CE2 PHE A 12 -5.005 0.846 -16.041 1.00 0.00 C ATOM 133 CZ PHE A 12 -6.331 1.147 -16.280 1.00 0.00 C ATOM 0 H PHE A 12 -2.681 2.913 -13.257 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.242 3.783 -12.286 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.752 1.132 -12.291 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.366 1.315 -11.631 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.207 2.188 -13.198 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.435 0.792 -14.599 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.162 1.861 -15.436 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.384 0.468 -16.840 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.749 1.007 -17.266 1.00 0.00 H new ATOM 143 N ALA A 13 -5.139 3.472 -9.761 1.00 0.00 N ATOM 144 CA ALA A 13 -5.000 3.623 -8.319 1.00 0.00 C ATOM 145 C ALA A 13 -4.256 4.907 -7.969 1.00 0.00 C ATOM 146 O ALA A 13 -3.365 4.925 -7.119 1.00 0.00 O ATOM 147 CB ALA A 13 -4.281 2.418 -7.729 1.00 0.00 C ATOM 0 H ALA A 13 -6.102 3.492 -10.096 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.999 3.684 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.184 2.544 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.853 1.514 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.290 2.331 -8.175 1.00 0.00 H new ATOM 153 N PRO A 14 -4.630 6.008 -8.638 1.00 0.00 N ATOM 154 CA PRO A 14 -4.009 7.317 -8.415 1.00 0.00 C ATOM 155 C PRO A 14 -4.369 7.904 -7.054 1.00 0.00 C ATOM 156 O PRO A 14 -5.161 7.329 -6.310 1.00 0.00 O ATOM 157 CB PRO A 14 -4.589 8.181 -9.539 1.00 0.00 C ATOM 158 CG PRO A 14 -5.886 7.532 -9.883 1.00 0.00 C ATOM 159 CD PRO A 14 -5.685 6.059 -9.664 1.00 0.00 C ATOM 0 HA PRO A 14 -2.921 7.258 -8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.736 9.210 -9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.921 8.212 -10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.691 7.913 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.163 7.738 -10.917 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.600 5.575 -9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.379 5.554 -10.580 1.00 0.00 H new ATOM 167 N GLN A 15 -3.781 9.054 -6.738 1.00 0.00 N ATOM 168 CA GLN A 15 -4.038 9.718 -5.465 1.00 0.00 C ATOM 169 C GLN A 15 -5.516 9.632 -5.096 1.00 0.00 C ATOM 170 O GLN A 15 -5.866 9.369 -3.945 1.00 0.00 O ATOM 171 CB GLN A 15 -3.602 11.181 -5.532 1.00 0.00 C ATOM 172 CG GLN A 15 -3.836 11.946 -4.238 1.00 0.00 C ATOM 173 CD GLN A 15 -2.883 11.530 -3.135 1.00 0.00 C ATOM 174 OE1 GLN A 15 -1.712 11.241 -3.386 1.00 0.00 O ATOM 175 NE2 GLN A 15 -3.379 11.498 -1.904 1.00 0.00 N ATOM 0 H GLN A 15 -3.124 9.545 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.459 9.209 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.542 11.224 -5.783 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.142 11.676 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.724 13.014 -4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.862 11.786 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.355 11.745 -1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.784 11.226 -1.121 1.00 0.00 H new ATOM 184 N LYS A 16 -6.381 9.855 -6.079 1.00 0.00 N ATOM 185 CA LYS A 16 -7.821 9.802 -5.861 1.00 0.00 C ATOM 186 C LYS A 16 -8.363 8.404 -6.143 1.00 0.00 C ATOM 187 O LYS A 16 -7.647 7.540 -6.649 1.00 0.00 O ATOM 188 CB LYS A 16 -8.532 10.825 -6.751 1.00 0.00 C ATOM 189 CG LYS A 16 -8.399 10.534 -8.236 1.00 0.00 C ATOM 190 CD LYS A 16 -9.136 11.565 -9.074 1.00 0.00 C ATOM 191 CE LYS A 16 -9.443 11.037 -10.466 1.00 0.00 C ATOM 192 NZ LYS A 16 -10.063 12.080 -11.332 1.00 0.00 N ATOM 0 H LYS A 16 -6.109 10.075 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.013 10.044 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.589 10.851 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.128 11.816 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.345 10.525 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.793 9.541 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.065 11.843 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.533 12.470 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.524 10.680 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.115 10.182 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.257 11.680 -12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.954 12.403 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.412 12.885 -11.426 1.00 0.00 H new ATOM 206 N PHE A 17 -9.633 8.188 -5.812 1.00 0.00 N ATOM 207 CA PHE A 17 -10.271 6.895 -6.031 1.00 0.00 C ATOM 208 C PHE A 17 -9.534 5.791 -5.279 1.00 0.00 C ATOM 209 O PHE A 17 -9.307 4.705 -5.810 1.00 0.00 O ATOM 210 CB PHE A 17 -10.313 6.570 -7.525 1.00 0.00 C ATOM 211 CG PHE A 17 -11.173 5.383 -7.855 1.00 0.00 C ATOM 212 CD1 PHE A 17 -12.482 5.315 -7.408 1.00 0.00 C ATOM 213 CD2 PHE A 17 -10.672 4.338 -8.614 1.00 0.00 C ATOM 214 CE1 PHE A 17 -13.277 4.224 -7.710 1.00 0.00 C ATOM 215 CE2 PHE A 17 -11.462 3.246 -8.920 1.00 0.00 C ATOM 216 CZ PHE A 17 -12.766 3.188 -8.467 1.00 0.00 C ATOM 0 H PHE A 17 -10.240 8.892 -5.391 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.291 6.952 -5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.684 7.440 -8.068 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.298 6.383 -7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.887 6.123 -6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.653 4.377 -8.970 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -14.296 4.182 -7.354 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.060 2.438 -9.513 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.384 2.335 -8.704 1.00 0.00 H new ATOM 226 N LYS A 18 -9.159 6.078 -4.036 1.00 0.00 N ATOM 227 CA LYS A 18 -8.448 5.111 -3.209 1.00 0.00 C ATOM 228 C LYS A 18 -8.841 5.258 -1.742 1.00 0.00 C ATOM 229 O LYS A 18 -8.839 6.361 -1.196 1.00 0.00 O ATOM 230 CB LYS A 18 -6.937 5.292 -3.362 1.00 0.00 C ATOM 231 CG LYS A 18 -6.408 6.565 -2.724 1.00 0.00 C ATOM 232 CD LYS A 18 -4.910 6.715 -2.938 1.00 0.00 C ATOM 233 CE LYS A 18 -4.119 5.996 -1.855 1.00 0.00 C ATOM 234 NZ LYS A 18 -3.933 6.847 -0.647 1.00 0.00 N ATOM 0 H LYS A 18 -9.336 6.973 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.724 4.111 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.430 4.435 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.686 5.296 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.925 7.427 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.625 6.555 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.639 6.315 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.646 7.772 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.636 5.078 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.145 5.706 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.390 6.322 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.417 7.712 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.862 7.103 -0.256 1.00 0.00 H new ATOM 248 N GLU A 19 -9.178 4.138 -1.109 1.00 0.00 N ATOM 249 CA GLU A 19 -9.572 4.144 0.296 1.00 0.00 C ATOM 250 C GLU A 19 -9.173 2.838 0.977 1.00 0.00 C ATOM 251 O GLU A 19 -8.961 1.820 0.319 1.00 0.00 O ATOM 252 CB GLU A 19 -11.081 4.359 0.423 1.00 0.00 C ATOM 253 CG GLU A 19 -11.488 5.073 1.702 1.00 0.00 C ATOM 254 CD GLU A 19 -12.868 4.666 2.182 1.00 0.00 C ATOM 255 OE1 GLU A 19 -12.991 3.575 2.775 1.00 0.00 O ATOM 256 OE2 GLU A 19 -13.824 5.440 1.966 1.00 0.00 O ATOM 0 H GLU A 19 -9.186 3.216 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.053 4.965 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.431 4.937 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.582 3.392 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.758 4.858 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.468 6.150 1.535 1.00 0.00 H new ATOM 263 N LYS A 20 -9.073 2.875 2.302 1.00 0.00 N ATOM 264 CA LYS A 20 -8.701 1.698 3.076 1.00 0.00 C ATOM 265 C LYS A 20 -9.391 1.701 4.436 1.00 0.00 C ATOM 266 O LYS A 20 -9.678 2.758 4.996 1.00 0.00 O ATOM 267 CB LYS A 20 -7.183 1.642 3.260 1.00 0.00 C ATOM 268 CG LYS A 20 -6.439 1.136 2.037 1.00 0.00 C ATOM 269 CD LYS A 20 -5.100 0.524 2.412 1.00 0.00 C ATOM 270 CE LYS A 20 -4.196 0.372 1.199 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.783 1.692 0.648 1.00 0.00 N ATOM 0 H LYS A 20 -9.245 3.710 2.862 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.026 0.814 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.819 2.639 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.952 0.997 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.048 0.393 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.281 1.959 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.609 1.150 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.261 -0.451 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.310 -0.200 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.715 -0.197 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.843 1.669 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.413 2.434 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.804 1.896 0.933 1.00 0.00 H new ATOM 285 N THR A 21 -9.652 0.508 4.965 1.00 0.00 N ATOM 286 CA THR A 21 -10.306 0.374 6.260 1.00 0.00 C ATOM 287 C THR A 21 -9.290 0.408 7.395 1.00 0.00 C ATOM 288 O THR A 21 -8.141 0.005 7.223 1.00 0.00 O ATOM 289 CB THR A 21 -11.115 -0.935 6.347 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.239 -2.060 6.207 1.00 0.00 O ATOM 291 CG2 THR A 21 -12.186 -0.981 5.270 1.00 0.00 C ATOM 0 H THR A 21 -9.420 -0.378 4.516 1.00 0.00 H new ATOM 0 HA THR A 21 -10.986 1.220 6.361 1.00 0.00 H new ATOM 0 HB THR A 21 -11.602 -0.973 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.170 -2.305 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.744 -1.914 5.351 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.866 -0.139 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.717 -0.923 4.288 1.00 0.00 H new ATOM 299 N GLN A 22 -9.722 0.889 8.557 1.00 0.00 N ATOM 300 CA GLN A 22 -8.848 0.975 9.721 1.00 0.00 C ATOM 301 C GLN A 22 -8.102 -0.337 9.938 1.00 0.00 C ATOM 302 O GLN A 22 -6.909 -0.341 10.241 1.00 0.00 O ATOM 303 CB GLN A 22 -9.660 1.327 10.969 1.00 0.00 C ATOM 304 CG GLN A 22 -9.978 2.809 11.090 1.00 0.00 C ATOM 305 CD GLN A 22 -11.217 3.074 11.922 1.00 0.00 C ATOM 306 OE1 GLN A 22 -11.128 3.340 13.121 1.00 0.00 O ATOM 307 NE2 GLN A 22 -12.382 3.001 11.290 1.00 0.00 N ATOM 0 H GLN A 22 -10.672 1.225 8.717 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.116 1.762 9.539 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.593 0.764 10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.108 1.009 11.853 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.128 3.324 11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.117 3.229 10.094 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.409 2.778 10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.250 3.168 11.799 1.00 0.00 H new ATOM 316 N GLY A 23 -8.812 -1.449 9.782 1.00 0.00 N ATOM 317 CA GLY A 23 -8.201 -2.752 9.965 1.00 0.00 C ATOM 318 C GLY A 23 -6.999 -2.961 9.065 1.00 0.00 C ATOM 319 O GLY A 23 -6.045 -3.642 9.441 1.00 0.00 O ATOM 0 H GLY A 23 -9.801 -1.471 9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.896 -2.864 11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.940 -3.528 9.765 1.00 0.00 H new ATOM 323 N GLN A 24 -7.048 -2.376 7.873 1.00 0.00 N ATOM 324 CA GLN A 24 -5.956 -2.503 6.914 1.00 0.00 C ATOM 325 C GLN A 24 -4.872 -1.465 7.184 1.00 0.00 C ATOM 326 O GLN A 24 -3.681 -1.774 7.154 1.00 0.00 O ATOM 327 CB GLN A 24 -6.481 -2.352 5.486 1.00 0.00 C ATOM 328 CG GLN A 24 -7.622 -3.301 5.154 1.00 0.00 C ATOM 329 CD GLN A 24 -8.344 -2.920 3.876 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.302 -2.146 3.900 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.889 -3.462 2.754 1.00 0.00 N ATOM 0 H GLN A 24 -7.831 -1.810 7.548 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.520 -3.495 7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.818 -1.326 5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.662 -2.522 4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.231 -4.314 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.333 -3.311 5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.092 -4.098 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.336 -3.242 1.864 1.00 0.00 H new ATOM 340 N VAL A 25 -5.292 -0.232 7.444 1.00 0.00 N ATOM 341 CA VAL A 25 -4.357 0.854 7.718 1.00 0.00 C ATOM 342 C VAL A 25 -3.518 0.556 8.956 1.00 0.00 C ATOM 343 O VAL A 25 -2.311 0.793 8.973 1.00 0.00 O ATOM 344 CB VAL A 25 -5.093 2.191 7.918 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.106 3.301 8.245 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.911 2.540 6.684 1.00 0.00 C ATOM 0 H VAL A 25 -6.274 0.041 7.471 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.702 0.936 6.850 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.777 2.086 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.645 4.238 8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.570 3.053 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.395 3.409 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.424 3.488 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.250 2.626 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.646 1.756 6.501 1.00 0.00 H new ATOM 356 N LYS A 26 -4.167 0.034 9.992 1.00 0.00 N ATOM 357 CA LYS A 26 -3.482 -0.298 11.235 1.00 0.00 C ATOM 358 C LYS A 26 -2.352 -1.292 10.985 1.00 0.00 C ATOM 359 O LYS A 26 -1.241 -1.123 11.488 1.00 0.00 O ATOM 360 CB LYS A 26 -4.472 -0.879 12.247 1.00 0.00 C ATOM 361 CG LYS A 26 -5.073 -2.206 11.817 1.00 0.00 C ATOM 362 CD LYS A 26 -5.993 -2.774 12.886 1.00 0.00 C ATOM 363 CE LYS A 26 -5.205 -3.456 13.993 1.00 0.00 C ATOM 364 NZ LYS A 26 -4.801 -4.838 13.617 1.00 0.00 N ATOM 0 H LYS A 26 -5.167 -0.168 9.995 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.053 0.618 11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.965 -1.012 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.276 -0.161 12.409 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.631 -2.071 10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.274 -2.917 11.608 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.599 -1.973 13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.681 -3.489 12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.316 -2.868 14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.808 -3.488 14.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.266 -5.268 14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.650 -5.407 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.204 -4.806 12.766 1.00 0.00 H new ATOM 378 N ILE A 27 -2.644 -2.327 10.204 1.00 0.00 N ATOM 379 CA ILE A 27 -1.652 -3.346 9.886 1.00 0.00 C ATOM 380 C ILE A 27 -0.443 -2.737 9.185 1.00 0.00 C ATOM 381 O ILE A 27 0.697 -3.144 9.421 1.00 0.00 O ATOM 382 CB ILE A 27 -2.245 -4.451 8.992 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.394 -5.158 9.713 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.168 -5.448 8.595 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.178 -6.098 8.824 1.00 0.00 C ATOM 0 H ILE A 27 -3.559 -2.482 9.780 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.338 -3.785 10.833 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.638 -3.992 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.992 -5.719 10.557 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.071 -4.408 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.604 -6.222 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.380 -4.933 8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.747 -5.905 9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.976 -6.564 9.402 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.610 -5.539 7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.514 -6.870 8.435 1.00 0.00 H new ATOM 397 N LEU A 28 -0.696 -1.757 8.324 1.00 0.00 N ATOM 398 CA LEU A 28 0.372 -1.087 7.590 1.00 0.00 C ATOM 399 C LEU A 28 1.124 -0.111 8.490 1.00 0.00 C ATOM 400 O LEU A 28 2.316 -0.275 8.740 1.00 0.00 O ATOM 401 CB LEU A 28 -0.201 -0.347 6.381 1.00 0.00 C ATOM 402 CG LEU A 28 -0.981 -1.199 5.380 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.555 -0.330 4.271 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.091 -2.287 4.798 1.00 0.00 C ATOM 0 H LEU A 28 -1.632 -1.409 8.117 1.00 0.00 H new ATOM 0 HA LEU A 28 1.074 -1.846 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.857 0.445 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.621 0.136 5.853 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.808 -1.675 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.107 -0.954 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.227 0.413 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.743 0.175 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.663 -2.884 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.757 -1.829 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.272 -2.928 5.601 1.00 0.00 H new ATOM 416 N GLU A 29 0.414 0.904 8.975 1.00 0.00 N ATOM 417 CA GLU A 29 1.014 1.905 9.849 1.00 0.00 C ATOM 418 C GLU A 29 2.008 1.261 10.812 1.00 0.00 C ATOM 419 O GLU A 29 3.087 1.801 11.058 1.00 0.00 O ATOM 420 CB GLU A 29 -0.071 2.644 10.636 1.00 0.00 C ATOM 421 CG GLU A 29 -0.637 3.850 9.908 1.00 0.00 C ATOM 422 CD GLU A 29 0.332 5.017 9.872 1.00 0.00 C ATOM 423 OE1 GLU A 29 1.263 4.989 9.040 1.00 0.00 O ATOM 424 OE2 GLU A 29 0.159 5.958 10.674 1.00 0.00 O ATOM 0 H GLU A 29 -0.575 1.054 8.778 1.00 0.00 H new ATOM 0 HA GLU A 29 1.550 2.620 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.882 1.951 10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.342 2.968 11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.896 3.566 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.560 4.164 10.395 1.00 0.00 H new ATOM 431 N ASP A 30 1.635 0.108 11.354 1.00 0.00 N ATOM 432 CA ASP A 30 2.493 -0.610 12.289 1.00 0.00 C ATOM 433 C ASP A 30 3.815 -0.993 11.630 1.00 0.00 C ATOM 434 O ASP A 30 4.887 -0.745 12.179 1.00 0.00 O ATOM 435 CB ASP A 30 1.783 -1.862 12.807 1.00 0.00 C ATOM 436 CG ASP A 30 2.504 -2.491 13.982 1.00 0.00 C ATOM 437 OD1 ASP A 30 3.753 -2.458 14.001 1.00 0.00 O ATOM 438 OD2 ASP A 30 1.820 -3.017 14.885 1.00 0.00 O ATOM 0 H ASP A 30 0.744 -0.350 11.162 1.00 0.00 H new ATOM 0 HA ASP A 30 2.706 0.050 13.130 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.767 -1.603 13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.703 -2.591 12.001 1.00 0.00 H new ATOM 443 N SER A 31 3.727 -1.602 10.452 1.00 0.00 N ATOM 444 CA SER A 31 4.915 -2.025 9.721 1.00 0.00 C ATOM 445 C SER A 31 5.768 -0.823 9.326 1.00 0.00 C ATOM 446 O SER A 31 6.996 -0.870 9.393 1.00 0.00 O ATOM 447 CB SER A 31 4.516 -2.813 8.471 1.00 0.00 C ATOM 448 OG SER A 31 4.417 -4.199 8.753 1.00 0.00 O ATOM 0 H SER A 31 2.846 -1.813 9.984 1.00 0.00 H new ATOM 0 HA SER A 31 5.504 -2.667 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.561 -2.446 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.252 -2.650 7.684 1.00 0.00 H new ATOM 0 HG SER A 31 3.875 -4.331 9.559 1.00 0.00 H new ATOM 454 N PHE A 32 5.106 0.254 8.917 1.00 0.00 N ATOM 455 CA PHE A 32 5.802 1.470 8.511 1.00 0.00 C ATOM 456 C PHE A 32 6.445 2.156 9.712 1.00 0.00 C ATOM 457 O PHE A 32 7.669 2.261 9.801 1.00 0.00 O ATOM 458 CB PHE A 32 4.832 2.430 7.819 1.00 0.00 C ATOM 459 CG PHE A 32 5.517 3.549 7.086 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.435 3.278 6.085 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.241 4.870 7.400 1.00 0.00 C ATOM 462 CE1 PHE A 32 7.067 4.305 5.408 1.00 0.00 C ATOM 463 CE2 PHE A 32 5.869 5.901 6.725 1.00 0.00 C ATOM 464 CZ PHE A 32 6.784 5.618 5.730 1.00 0.00 C ATOM 0 H PHE A 32 4.089 0.310 8.858 1.00 0.00 H new ATOM 0 HA PHE A 32 6.589 1.192 7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.217 1.868 7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.158 2.853 8.564 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.660 2.253 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.529 5.097 8.179 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.781 4.081 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.644 6.927 6.976 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.278 6.422 5.204 1.00 0.00 H new ATOM 474 N LEU A 33 5.612 2.623 10.636 1.00 0.00 N ATOM 475 CA LEU A 33 6.097 3.298 11.833 1.00 0.00 C ATOM 476 C LEU A 33 7.289 2.559 12.431 1.00 0.00 C ATOM 477 O LEU A 33 8.223 3.175 12.945 1.00 0.00 O ATOM 478 CB LEU A 33 4.978 3.408 12.870 1.00 0.00 C ATOM 479 CG LEU A 33 3.893 4.446 12.580 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.621 4.118 13.345 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.383 5.844 12.930 1.00 0.00 C ATOM 0 H LEU A 33 4.597 2.546 10.578 1.00 0.00 H new ATOM 0 HA LEU A 33 6.420 4.299 11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.502 2.432 12.967 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.427 3.641 13.836 1.00 0.00 H new ATOM 0 HG LEU A 33 3.668 4.418 11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.861 4.868 13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.259 3.135 13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.830 4.116 14.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.597 6.569 12.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.638 5.886 13.989 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.265 6.080 12.335 1.00 0.00 H new ATOM 493 N LYS A 34 7.253 1.232 12.358 1.00 0.00 N ATOM 494 CA LYS A 34 8.331 0.408 12.888 1.00 0.00 C ATOM 495 C LYS A 34 9.478 0.301 11.888 1.00 0.00 C ATOM 496 O LYS A 34 10.647 0.279 12.270 1.00 0.00 O ATOM 497 CB LYS A 34 7.811 -0.990 13.232 1.00 0.00 C ATOM 498 CG LYS A 34 7.664 -1.899 12.023 1.00 0.00 C ATOM 499 CD LYS A 34 7.517 -3.355 12.435 1.00 0.00 C ATOM 500 CE LYS A 34 8.871 -4.026 12.602 1.00 0.00 C ATOM 501 NZ LYS A 34 8.740 -5.426 13.091 1.00 0.00 N ATOM 0 H LYS A 34 6.488 0.705 11.936 1.00 0.00 H new ATOM 0 HA LYS A 34 8.705 0.884 13.794 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.490 -1.456 13.946 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.844 -0.897 13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.794 -1.595 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.534 -1.789 11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.962 -3.415 13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.935 -3.890 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.398 -4.022 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.477 -3.452 13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.685 -5.848 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.260 -5.428 14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.184 -5.981 12.410 1.00 0.00 H new ATOM 515 N SER A 35 9.135 0.238 10.606 1.00 0.00 N ATOM 516 CA SER A 35 10.137 0.132 9.551 1.00 0.00 C ATOM 517 C SER A 35 9.595 0.678 8.233 1.00 0.00 C ATOM 518 O SER A 35 8.752 0.054 7.589 1.00 0.00 O ATOM 519 CB SER A 35 10.569 -1.324 9.373 1.00 0.00 C ATOM 520 OG SER A 35 11.259 -1.794 10.518 1.00 0.00 O ATOM 0 H SER A 35 8.171 0.258 10.272 1.00 0.00 H new ATOM 0 HA SER A 35 11.002 0.727 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.693 -1.947 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.211 -1.412 8.496 1.00 0.00 H new ATOM 0 HG SER A 35 11.266 -1.096 11.205 1.00 0.00 H new ATOM 526 N SER A 36 10.089 1.847 7.837 1.00 0.00 N ATOM 527 CA SER A 36 9.653 2.481 6.598 1.00 0.00 C ATOM 528 C SER A 36 9.611 1.470 5.457 1.00 0.00 C ATOM 529 O SER A 36 8.677 1.458 4.655 1.00 0.00 O ATOM 530 CB SER A 36 10.588 3.637 6.235 1.00 0.00 C ATOM 531 OG SER A 36 11.925 3.188 6.100 1.00 0.00 O ATOM 0 H SER A 36 10.791 2.374 8.356 1.00 0.00 H new ATOM 0 HA SER A 36 8.647 2.871 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.259 4.096 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.536 4.407 7.005 1.00 0.00 H new ATOM 0 HG SER A 36 12.502 3.945 5.866 1.00 0.00 H new ATOM 537 N PHE A 37 10.631 0.620 5.389 1.00 0.00 N ATOM 538 CA PHE A 37 10.711 -0.396 4.347 1.00 0.00 C ATOM 539 C PHE A 37 10.659 -1.798 4.947 1.00 0.00 C ATOM 540 O PHE A 37 11.642 -2.309 5.484 1.00 0.00 O ATOM 541 CB PHE A 37 11.999 -0.225 3.538 1.00 0.00 C ATOM 542 CG PHE A 37 11.893 0.811 2.454 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.029 2.157 2.749 1.00 0.00 C ATOM 544 CD2 PHE A 37 11.657 0.436 1.141 1.00 0.00 C ATOM 545 CE1 PHE A 37 11.930 3.112 1.755 1.00 0.00 C ATOM 546 CE2 PHE A 37 11.557 1.387 0.141 1.00 0.00 C ATOM 547 CZ PHE A 37 11.696 2.726 0.449 1.00 0.00 C ATOM 0 H PHE A 37 11.413 0.615 6.044 1.00 0.00 H new ATOM 0 HA PHE A 37 9.853 -0.271 3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.809 0.049 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.267 -1.182 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.215 2.464 3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.550 -0.610 0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.035 4.159 1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.371 1.083 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.622 3.471 -0.330 1.00 0.00 H new ATOM 557 N PRO A 38 9.483 -2.436 4.854 1.00 0.00 N ATOM 558 CA PRO A 38 9.271 -3.787 5.384 1.00 0.00 C ATOM 559 C PRO A 38 10.019 -4.847 4.581 1.00 0.00 C ATOM 560 O PRO A 38 10.523 -4.575 3.491 1.00 0.00 O ATOM 561 CB PRO A 38 7.759 -3.987 5.252 1.00 0.00 C ATOM 562 CG PRO A 38 7.351 -3.077 4.145 1.00 0.00 C ATOM 563 CD PRO A 38 8.268 -1.888 4.228 1.00 0.00 C ATOM 0 HA PRO A 38 9.641 -3.887 6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.516 -5.024 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.244 -3.737 6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.441 -3.573 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.309 -2.775 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.477 -1.472 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.834 -1.087 4.827 1.00 0.00 H new ATOM 571 N THR A 39 10.089 -6.057 5.128 1.00 0.00 N ATOM 572 CA THR A 39 10.776 -7.157 4.464 1.00 0.00 C ATOM 573 C THR A 39 9.783 -8.166 3.901 1.00 0.00 C ATOM 574 O THR A 39 8.640 -8.241 4.350 1.00 0.00 O ATOM 575 CB THR A 39 11.738 -7.881 5.426 1.00 0.00 C ATOM 576 OG1 THR A 39 12.595 -8.760 4.691 1.00 0.00 O ATOM 577 CG2 THR A 39 10.963 -8.674 6.469 1.00 0.00 C ATOM 0 H THR A 39 9.678 -6.299 6.029 1.00 0.00 H new ATOM 0 HA THR A 39 11.351 -6.723 3.646 1.00 0.00 H new ATOM 0 HB THR A 39 12.341 -7.130 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.204 -9.215 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.662 -9.177 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.332 -7.997 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.339 -9.416 5.972 1.00 0.00 H new ATOM 585 N GLN A 40 10.228 -8.940 2.916 1.00 0.00 N ATOM 586 CA GLN A 40 9.375 -9.945 2.291 1.00 0.00 C ATOM 587 C GLN A 40 8.428 -10.566 3.313 1.00 0.00 C ATOM 588 O GLN A 40 7.208 -10.516 3.153 1.00 0.00 O ATOM 589 CB GLN A 40 10.228 -11.036 1.641 1.00 0.00 C ATOM 590 CG GLN A 40 10.815 -10.628 0.300 1.00 0.00 C ATOM 591 CD GLN A 40 11.624 -9.350 0.380 1.00 0.00 C ATOM 592 OE1 GLN A 40 12.511 -9.214 1.223 1.00 0.00 O ATOM 593 NE2 GLN A 40 11.321 -8.400 -0.499 1.00 0.00 N ATOM 0 H GLN A 40 11.172 -8.891 2.534 1.00 0.00 H new ATOM 0 HA GLN A 40 8.780 -9.453 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.040 -11.303 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.619 -11.930 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.449 -11.432 -0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.008 -10.498 -0.421 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.578 -8.554 -1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.831 -7.517 -0.492 1.00 0.00 H new ATOM 602 N ALA A 41 8.997 -11.150 4.363 1.00 0.00 N ATOM 603 CA ALA A 41 8.203 -11.779 5.411 1.00 0.00 C ATOM 604 C ALA A 41 7.088 -10.853 5.885 1.00 0.00 C ATOM 605 O ALA A 41 5.911 -11.205 5.828 1.00 0.00 O ATOM 606 CB ALA A 41 9.093 -12.178 6.578 1.00 0.00 C ATOM 0 H ALA A 41 10.005 -11.200 4.510 1.00 0.00 H new ATOM 0 HA ALA A 41 7.743 -12.676 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.487 -12.647 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.850 -12.882 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.580 -11.291 6.984 1.00 0.00 H new ATOM 612 N GLU A 42 7.469 -9.668 6.355 1.00 0.00 N ATOM 613 CA GLU A 42 6.500 -8.693 6.840 1.00 0.00 C ATOM 614 C GLU A 42 5.412 -8.444 5.802 1.00 0.00 C ATOM 615 O GLU A 42 4.249 -8.797 6.005 1.00 0.00 O ATOM 616 CB GLU A 42 7.199 -7.378 7.190 1.00 0.00 C ATOM 617 CG GLU A 42 6.290 -6.368 7.871 1.00 0.00 C ATOM 618 CD GLU A 42 5.595 -6.940 9.092 1.00 0.00 C ATOM 619 OE1 GLU A 42 6.275 -7.600 9.905 1.00 0.00 O ATOM 620 OE2 GLU A 42 4.373 -6.725 9.234 1.00 0.00 O ATOM 0 H GLU A 42 8.440 -9.361 6.410 1.00 0.00 H new ATOM 0 HA GLU A 42 6.033 -9.098 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.046 -7.589 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.601 -6.936 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.876 -5.498 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.540 -6.022 7.160 1.00 0.00 H new ATOM 627 N LEU A 43 5.795 -7.831 4.687 1.00 0.00 N ATOM 628 CA LEU A 43 4.853 -7.533 3.614 1.00 0.00 C ATOM 629 C LEU A 43 3.943 -8.726 3.340 1.00 0.00 C ATOM 630 O LEU A 43 2.720 -8.623 3.439 1.00 0.00 O ATOM 631 CB LEU A 43 5.605 -7.146 2.340 1.00 0.00 C ATOM 632 CG LEU A 43 5.994 -5.674 2.209 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.001 -5.486 1.086 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.762 -4.814 1.973 1.00 0.00 C ATOM 0 H LEU A 43 6.752 -7.531 4.503 1.00 0.00 H new ATOM 0 HA LEU A 43 4.234 -6.694 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.512 -7.747 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.988 -7.415 1.483 1.00 0.00 H new ATOM 0 HG LEU A 43 6.459 -5.357 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.266 -4.432 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.896 -6.070 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.564 -5.821 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.059 -3.769 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.267 -5.131 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.075 -4.924 2.812 1.00 0.00 H new ATOM 646 N ASP A 44 4.549 -9.857 2.997 1.00 0.00 N ATOM 647 CA ASP A 44 3.794 -11.072 2.713 1.00 0.00 C ATOM 648 C ASP A 44 2.589 -11.194 3.641 1.00 0.00 C ATOM 649 O ASP A 44 1.507 -11.601 3.219 1.00 0.00 O ATOM 650 CB ASP A 44 4.691 -12.302 2.858 1.00 0.00 C ATOM 651 CG ASP A 44 4.031 -13.565 2.342 1.00 0.00 C ATOM 652 OD1 ASP A 44 3.692 -13.609 1.140 1.00 0.00 O ATOM 653 OD2 ASP A 44 3.854 -14.510 3.139 1.00 0.00 O ATOM 0 H ASP A 44 5.560 -9.958 2.909 1.00 0.00 H new ATOM 0 HA ASP A 44 3.434 -11.013 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.622 -12.135 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.953 -12.435 3.908 1.00 0.00 H new ATOM 658 N ARG A 45 2.786 -10.840 4.906 1.00 0.00 N ATOM 659 CA ARG A 45 1.716 -10.911 5.895 1.00 0.00 C ATOM 660 C ARG A 45 0.782 -9.711 5.773 1.00 0.00 C ATOM 661 O ARG A 45 -0.431 -9.835 5.951 1.00 0.00 O ATOM 662 CB ARG A 45 2.301 -10.974 7.307 1.00 0.00 C ATOM 663 CG ARG A 45 1.434 -11.740 8.292 1.00 0.00 C ATOM 664 CD ARG A 45 2.265 -12.346 9.413 1.00 0.00 C ATOM 665 NE ARG A 45 2.730 -11.335 10.357 1.00 0.00 N ATOM 666 CZ ARG A 45 3.702 -11.544 11.239 1.00 0.00 C ATOM 667 NH1 ARG A 45 4.307 -12.722 11.295 1.00 0.00 N ATOM 668 NH2 ARG A 45 4.071 -10.574 12.065 1.00 0.00 N ATOM 0 H ARG A 45 3.676 -10.501 5.271 1.00 0.00 H new ATOM 0 HA ARG A 45 1.141 -11.818 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.285 -11.441 7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.446 -9.959 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.684 -11.071 8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.897 -12.530 7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.671 -13.091 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.123 -12.867 8.988 1.00 0.00 H new ATOM 0 HE ARG A 45 2.285 -10.418 10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.027 -13.470 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.053 -12.881 11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.609 -9.666 12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.817 -10.736 12.741 1.00 0.00 H new ATOM 682 N LEU A 46 1.353 -8.552 5.469 1.00 0.00 N ATOM 683 CA LEU A 46 0.572 -7.328 5.324 1.00 0.00 C ATOM 684 C LEU A 46 -0.438 -7.459 4.189 1.00 0.00 C ATOM 685 O LEU A 46 -1.624 -7.178 4.363 1.00 0.00 O ATOM 686 CB LEU A 46 1.496 -6.137 5.066 1.00 0.00 C ATOM 687 CG LEU A 46 2.587 -5.895 6.109 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.444 -4.701 5.718 1.00 0.00 C ATOM 689 CD2 LEU A 46 1.972 -5.685 7.484 1.00 0.00 C ATOM 0 H LEU A 46 2.355 -8.433 5.318 1.00 0.00 H new ATOM 0 HA LEU A 46 0.027 -7.161 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.973 -6.277 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.885 -5.238 4.994 1.00 0.00 H new ATOM 0 HG LEU A 46 3.226 -6.777 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.215 -4.544 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.914 -4.891 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.818 -3.811 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.763 -5.514 8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.309 -4.820 7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.402 -6.570 7.767 1.00 0.00 H new ATOM 701 N ARG A 47 0.041 -7.888 3.025 1.00 0.00 N ATOM 702 CA ARG A 47 -0.821 -8.058 1.861 1.00 0.00 C ATOM 703 C ARG A 47 -2.033 -8.920 2.202 1.00 0.00 C ATOM 704 O ARG A 47 -3.170 -8.450 2.179 1.00 0.00 O ATOM 705 CB ARG A 47 -0.038 -8.690 0.708 1.00 0.00 C ATOM 706 CG ARG A 47 0.939 -7.737 0.041 1.00 0.00 C ATOM 707 CD ARG A 47 1.642 -8.395 -1.138 1.00 0.00 C ATOM 708 NE ARG A 47 2.468 -9.525 -0.719 1.00 0.00 N ATOM 709 CZ ARG A 47 2.830 -10.511 -1.532 1.00 0.00 C ATOM 710 NH1 ARG A 47 2.440 -10.506 -2.800 1.00 0.00 N ATOM 711 NH2 ARG A 47 3.583 -11.504 -1.079 1.00 0.00 N ATOM 0 H ARG A 47 1.020 -8.124 2.863 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.174 -7.073 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.510 -9.555 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.741 -9.058 -0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.407 -6.849 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.680 -7.405 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.899 -8.736 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.265 -7.659 -1.646 1.00 0.00 H new ATOM 0 HE ARG A 47 2.784 -9.559 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.861 -9.744 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.719 -11.264 -3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.885 -11.511 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.860 -12.260 -1.705 1.00 0.00 H new ATOM 725 N VAL A 48 -1.781 -10.187 2.516 1.00 0.00 N ATOM 726 CA VAL A 48 -2.850 -11.116 2.863 1.00 0.00 C ATOM 727 C VAL A 48 -3.757 -10.534 3.940 1.00 0.00 C ATOM 728 O VAL A 48 -4.978 -10.515 3.793 1.00 0.00 O ATOM 729 CB VAL A 48 -2.287 -12.462 3.353 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.193 -12.239 4.388 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.399 -13.329 3.923 1.00 0.00 C ATOM 0 H VAL A 48 -0.846 -10.594 2.537 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.430 -11.283 1.956 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.849 -12.983 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.807 -13.202 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.384 -11.659 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.603 -11.697 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.983 -14.277 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.867 -12.815 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.145 -13.518 3.151 1.00 0.00 H new ATOM 741 N GLU A 49 -3.151 -10.057 5.022 1.00 0.00 N ATOM 742 CA GLU A 49 -3.905 -9.474 6.126 1.00 0.00 C ATOM 743 C GLU A 49 -4.848 -8.385 5.622 1.00 0.00 C ATOM 744 O GLU A 49 -6.069 -8.508 5.725 1.00 0.00 O ATOM 745 CB GLU A 49 -2.953 -8.893 7.174 1.00 0.00 C ATOM 746 CG GLU A 49 -2.217 -9.953 7.978 1.00 0.00 C ATOM 747 CD GLU A 49 -0.988 -9.404 8.678 1.00 0.00 C ATOM 748 OE1 GLU A 49 -0.245 -8.624 8.046 1.00 0.00 O ATOM 749 OE2 GLU A 49 -0.771 -9.754 9.857 1.00 0.00 O ATOM 0 H GLU A 49 -2.140 -10.063 5.158 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.499 -10.264 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.224 -8.254 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.519 -8.259 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.894 -10.377 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.921 -10.766 7.315 1.00 0.00 H new ATOM 756 N THR A 50 -4.273 -7.315 5.081 1.00 0.00 N ATOM 757 CA THR A 50 -5.062 -6.202 4.564 1.00 0.00 C ATOM 758 C THR A 50 -5.757 -6.580 3.261 1.00 0.00 C ATOM 759 O THR A 50 -6.558 -5.813 2.727 1.00 0.00 O ATOM 760 CB THR A 50 -4.186 -4.958 4.323 1.00 0.00 C ATOM 761 OG1 THR A 50 -3.186 -5.246 3.340 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.520 -4.508 5.614 1.00 0.00 C ATOM 0 H THR A 50 -3.264 -7.195 4.989 1.00 0.00 H new ATOM 0 HA THR A 50 -5.813 -5.968 5.319 1.00 0.00 H new ATOM 0 HB THR A 50 -4.827 -4.153 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.453 -5.747 3.756 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.907 -3.628 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.284 -4.262 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.891 -5.311 5.998 1.00 0.00 H new ATOM 770 N LYS A 51 -5.447 -7.769 2.754 1.00 0.00 N ATOM 771 CA LYS A 51 -6.045 -8.251 1.515 1.00 0.00 C ATOM 772 C LYS A 51 -5.678 -7.344 0.344 1.00 0.00 C ATOM 773 O LYS A 51 -6.526 -7.002 -0.481 1.00 0.00 O ATOM 774 CB LYS A 51 -7.567 -8.330 1.654 1.00 0.00 C ATOM 775 CG LYS A 51 -8.028 -9.225 2.790 1.00 0.00 C ATOM 776 CD LYS A 51 -8.145 -10.674 2.348 1.00 0.00 C ATOM 777 CE LYS A 51 -9.542 -10.991 1.838 1.00 0.00 C ATOM 778 NZ LYS A 51 -10.571 -10.829 2.903 1.00 0.00 N ATOM 0 H LYS A 51 -4.785 -8.416 3.182 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.652 -9.248 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.962 -7.326 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.990 -8.697 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.325 -9.153 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.993 -8.878 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.416 -10.876 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.904 -11.331 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.780 -10.336 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.568 -12.013 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.364 -11.476 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.150 -11.049 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.918 -9.848 2.905 1.00 0.00 H new ATOM 792 N LEU A 52 -4.409 -6.956 0.278 1.00 0.00 N ATOM 793 CA LEU A 52 -3.928 -6.089 -0.792 1.00 0.00 C ATOM 794 C LEU A 52 -2.773 -6.742 -1.544 1.00 0.00 C ATOM 795 O LEU A 52 -2.270 -7.791 -1.141 1.00 0.00 O ATOM 796 CB LEU A 52 -3.483 -4.742 -0.222 1.00 0.00 C ATOM 797 CG LEU A 52 -4.512 -4.002 0.635 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.844 -2.894 1.433 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.625 -3.437 -0.237 1.00 0.00 C ATOM 0 H LEU A 52 -3.694 -7.228 0.953 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.748 -5.928 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.588 -4.902 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.199 -4.095 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.951 -4.712 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.591 -2.379 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.084 -3.323 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.377 -2.184 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.348 -2.914 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.202 -2.741 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.123 -4.251 -0.764 1.00 0.00 H new ATOM 811 N SER A 53 -2.356 -6.114 -2.640 1.00 0.00 N ATOM 812 CA SER A 53 -1.262 -6.634 -3.450 1.00 0.00 C ATOM 813 C SER A 53 0.010 -5.822 -3.229 1.00 0.00 C ATOM 814 O SER A 53 -0.008 -4.788 -2.563 1.00 0.00 O ATOM 815 CB SER A 53 -1.643 -6.616 -4.932 1.00 0.00 C ATOM 816 OG SER A 53 -2.760 -7.453 -5.182 1.00 0.00 O ATOM 0 H SER A 53 -2.760 -5.244 -2.987 1.00 0.00 H new ATOM 0 HA SER A 53 -1.073 -7.663 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.873 -5.596 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.795 -6.946 -5.533 1.00 0.00 H new ATOM 0 HG SER A 53 -2.985 -7.423 -6.135 1.00 0.00 H new ATOM 822 N ARG A 54 1.115 -6.300 -3.795 1.00 0.00 N ATOM 823 CA ARG A 54 2.397 -5.620 -3.660 1.00 0.00 C ATOM 824 C ARG A 54 2.299 -4.174 -4.139 1.00 0.00 C ATOM 825 O ARG A 54 2.716 -3.249 -3.441 1.00 0.00 O ATOM 826 CB ARG A 54 3.476 -6.358 -4.454 1.00 0.00 C ATOM 827 CG ARG A 54 4.179 -7.446 -3.659 1.00 0.00 C ATOM 828 CD ARG A 54 5.047 -6.860 -2.556 1.00 0.00 C ATOM 829 NE ARG A 54 6.121 -6.027 -3.092 1.00 0.00 N ATOM 830 CZ ARG A 54 7.285 -6.509 -3.512 1.00 0.00 C ATOM 831 NH1 ARG A 54 7.524 -7.812 -3.458 1.00 0.00 N ATOM 832 NH2 ARG A 54 8.213 -5.687 -3.986 1.00 0.00 N ATOM 0 H ARG A 54 1.147 -7.155 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 54 2.669 -5.618 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.023 -6.802 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.216 -5.637 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.438 -8.115 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.796 -8.046 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.428 -6.266 -1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.476 -7.668 -1.963 1.00 0.00 H new ATOM 0 HE ARG A 54 5.968 -5.020 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.813 -8.446 -3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.419 -8.180 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.033 -4.684 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.107 -6.058 -4.308 1.00 0.00 H new ATOM 846 N ARG A 55 1.746 -3.988 -5.333 1.00 0.00 N ATOM 847 CA ARG A 55 1.594 -2.656 -5.905 1.00 0.00 C ATOM 848 C ARG A 55 0.702 -1.784 -5.026 1.00 0.00 C ATOM 849 O ARG A 55 1.066 -0.663 -4.674 1.00 0.00 O ATOM 850 CB ARG A 55 1.007 -2.747 -7.315 1.00 0.00 C ATOM 851 CG ARG A 55 0.614 -1.400 -7.899 1.00 0.00 C ATOM 852 CD ARG A 55 -0.140 -1.560 -9.211 1.00 0.00 C ATOM 853 NE ARG A 55 0.762 -1.576 -10.360 1.00 0.00 N ATOM 854 CZ ARG A 55 1.224 -0.478 -10.947 1.00 0.00 C ATOM 855 NH1 ARG A 55 0.871 0.717 -10.495 1.00 0.00 N ATOM 856 NH2 ARG A 55 2.040 -0.574 -11.989 1.00 0.00 N ATOM 0 H ARG A 55 1.396 -4.743 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 55 2.581 -2.197 -5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.736 -3.220 -7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.130 -3.394 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.007 -0.860 -7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.508 -0.798 -8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.715 -2.486 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.854 -0.744 -9.321 1.00 0.00 H new ATOM 0 HE ARG A 55 1.053 -2.480 -10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.243 0.795 -9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.227 1.559 -10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.313 -1.492 -12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.394 0.270 -12.439 1.00 0.00 H new ATOM 870 N GLU A 56 -0.470 -2.308 -4.677 1.00 0.00 N ATOM 871 CA GLU A 56 -1.414 -1.578 -3.840 1.00 0.00 C ATOM 872 C GLU A 56 -0.712 -0.968 -2.632 1.00 0.00 C ATOM 873 O GLU A 56 -0.796 0.237 -2.395 1.00 0.00 O ATOM 874 CB GLU A 56 -2.541 -2.503 -3.377 1.00 0.00 C ATOM 875 CG GLU A 56 -3.665 -2.649 -4.389 1.00 0.00 C ATOM 876 CD GLU A 56 -4.732 -3.627 -3.939 1.00 0.00 C ATOM 877 OE1 GLU A 56 -4.519 -4.848 -4.089 1.00 0.00 O ATOM 878 OE2 GLU A 56 -5.780 -3.171 -3.436 1.00 0.00 O ATOM 0 H GLU A 56 -0.787 -3.235 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.839 -0.771 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.126 -3.488 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.952 -2.121 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.121 -1.674 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.251 -2.982 -5.341 1.00 0.00 H new ATOM 885 N ILE A 57 -0.019 -1.808 -1.871 1.00 0.00 N ATOM 886 CA ILE A 57 0.699 -1.353 -0.686 1.00 0.00 C ATOM 887 C ILE A 57 1.840 -0.416 -1.063 1.00 0.00 C ATOM 888 O ILE A 57 1.979 0.670 -0.498 1.00 0.00 O ATOM 889 CB ILE A 57 1.265 -2.537 0.119 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.130 -3.436 0.614 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.096 -2.033 1.289 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.610 -4.709 1.275 1.00 0.00 C ATOM 0 H ILE A 57 0.061 -2.808 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.020 -0.816 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 57 1.910 -3.125 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.482 -2.877 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.512 -3.694 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.489 -2.882 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.924 -1.430 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.472 -1.425 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.249 -5.296 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.198 -5.289 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.228 -4.460 2.138 1.00 0.00 H new ATOM 904 N ASP A 58 2.656 -0.842 -2.021 1.00 0.00 N ATOM 905 CA ASP A 58 3.787 -0.040 -2.475 1.00 0.00 C ATOM 906 C ASP A 58 3.429 1.443 -2.493 1.00 0.00 C ATOM 907 O ASP A 58 4.098 2.261 -1.862 1.00 0.00 O ATOM 908 CB ASP A 58 4.228 -0.487 -3.869 1.00 0.00 C ATOM 909 CG ASP A 58 5.608 0.027 -4.233 1.00 0.00 C ATOM 910 OD1 ASP A 58 5.805 1.261 -4.214 1.00 0.00 O ATOM 911 OD2 ASP A 58 6.489 -0.802 -4.534 1.00 0.00 O ATOM 0 H ASP A 58 2.556 -1.738 -2.498 1.00 0.00 H new ATOM 0 HA ASP A 58 4.610 -0.188 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.225 -1.576 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.506 -0.134 -4.606 1.00 0.00 H new ATOM 916 N SER A 59 2.369 1.783 -3.221 1.00 0.00 N ATOM 917 CA SER A 59 1.924 3.167 -3.325 1.00 0.00 C ATOM 918 C SER A 59 1.713 3.774 -1.942 1.00 0.00 C ATOM 919 O SER A 59 2.202 4.865 -1.648 1.00 0.00 O ATOM 920 CB SER A 59 0.629 3.249 -4.134 1.00 0.00 C ATOM 921 OG SER A 59 0.214 4.594 -4.297 1.00 0.00 O ATOM 0 H SER A 59 1.803 1.118 -3.747 1.00 0.00 H new ATOM 0 HA SER A 59 2.700 3.735 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.777 2.790 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.154 2.682 -3.631 1.00 0.00 H new ATOM 0 HG SER A 59 -0.615 4.620 -4.819 1.00 0.00 H new ATOM 927 N TRP A 60 0.979 3.060 -1.095 1.00 0.00 N ATOM 928 CA TRP A 60 0.701 3.528 0.258 1.00 0.00 C ATOM 929 C TRP A 60 1.988 3.923 0.973 1.00 0.00 C ATOM 930 O TRP A 60 2.169 5.080 1.352 1.00 0.00 O ATOM 931 CB TRP A 60 -0.027 2.445 1.055 1.00 0.00 C ATOM 932 CG TRP A 60 -0.568 2.932 2.366 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.844 3.342 2.623 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.154 3.061 3.596 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.959 3.719 3.940 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.748 3.555 4.557 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.473 2.805 3.978 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.370 3.799 5.876 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.847 3.048 5.286 1.00 0.00 C ATOM 940 CH2 TRP A 60 0.928 3.540 6.222 1.00 0.00 C ATOM 0 H TRP A 60 0.566 2.155 -1.322 1.00 0.00 H new ATOM 0 HA TRP A 60 0.062 4.408 0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.848 2.053 0.455 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.658 1.617 1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.645 3.367 1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.809 4.065 4.385 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.188 2.424 3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.076 4.179 6.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.865 2.855 5.592 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.251 3.718 7.237 1.00 0.00 H new ATOM 951 N PHE A 61 2.879 2.955 1.155 1.00 0.00 N ATOM 952 CA PHE A 61 4.151 3.203 1.826 1.00 0.00 C ATOM 953 C PHE A 61 4.932 4.308 1.121 1.00 0.00 C ATOM 954 O PHE A 61 5.294 5.313 1.731 1.00 0.00 O ATOM 955 CB PHE A 61 4.987 1.922 1.870 1.00 0.00 C ATOM 956 CG PHE A 61 4.670 1.040 3.045 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.431 0.431 3.157 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.613 0.822 4.037 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.137 -0.382 4.237 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.324 0.011 5.119 1.00 0.00 C ATOM 961 CZ PHE A 61 4.085 -0.591 5.219 1.00 0.00 C ATOM 0 H PHE A 61 2.745 1.992 0.848 1.00 0.00 H new ATOM 0 HA PHE A 61 3.938 3.526 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.825 1.360 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.044 2.188 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.686 0.593 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.583 1.290 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.168 -0.852 4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.067 -0.152 5.886 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.858 -1.224 6.064 1.00 0.00 H new ATOM 971 N SER A 62 5.186 4.114 -0.170 1.00 0.00 N ATOM 972 CA SER A 62 5.928 5.092 -0.958 1.00 0.00 C ATOM 973 C SER A 62 5.454 6.509 -0.649 1.00 0.00 C ATOM 974 O SER A 62 6.229 7.344 -0.183 1.00 0.00 O ATOM 975 CB SER A 62 5.766 4.802 -2.451 1.00 0.00 C ATOM 976 OG SER A 62 6.758 3.897 -2.905 1.00 0.00 O ATOM 0 H SER A 62 4.889 3.289 -0.692 1.00 0.00 H new ATOM 0 HA SER A 62 6.982 5.014 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.776 4.386 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.833 5.732 -3.015 1.00 0.00 H new ATOM 0 HG SER A 62 6.327 3.115 -3.309 1.00 0.00 H new ATOM 982 N GLU A 63 4.179 6.772 -0.913 1.00 0.00 N ATOM 983 CA GLU A 63 3.603 8.087 -0.665 1.00 0.00 C ATOM 984 C GLU A 63 3.751 8.479 0.804 1.00 0.00 C ATOM 985 O GLU A 63 4.166 9.593 1.121 1.00 0.00 O ATOM 986 CB GLU A 63 2.124 8.105 -1.061 1.00 0.00 C ATOM 987 CG GLU A 63 1.888 8.504 -2.508 1.00 0.00 C ATOM 988 CD GLU A 63 0.557 9.205 -2.710 1.00 0.00 C ATOM 989 OE1 GLU A 63 0.019 9.752 -1.725 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.056 9.205 -3.853 1.00 0.00 O ATOM 0 H GLU A 63 3.525 6.091 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 63 4.144 8.812 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.699 7.116 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.590 8.797 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.694 9.161 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.925 7.615 -3.137 1.00 0.00 H new ATOM 997 N ARG A 64 3.409 7.553 1.693 1.00 0.00 N ATOM 998 CA ARG A 64 3.503 7.800 3.127 1.00 0.00 C ATOM 999 C ARG A 64 4.812 8.503 3.474 1.00 0.00 C ATOM 1000 O ARG A 64 4.815 9.542 4.133 1.00 0.00 O ATOM 1001 CB ARG A 64 3.398 6.486 3.902 1.00 0.00 C ATOM 1002 CG ARG A 64 2.885 6.654 5.322 1.00 0.00 C ATOM 1003 CD ARG A 64 1.489 7.257 5.342 1.00 0.00 C ATOM 1004 NE ARG A 64 0.874 7.168 6.664 1.00 0.00 N ATOM 1005 CZ ARG A 64 -0.139 7.933 7.056 1.00 0.00 C ATOM 1006 NH1 ARG A 64 -0.647 8.839 6.233 1.00 0.00 N ATOM 1007 NH2 ARG A 64 -0.646 7.792 8.275 1.00 0.00 N ATOM 0 H ARG A 64 3.064 6.625 1.446 1.00 0.00 H new ATOM 0 HA ARG A 64 2.675 8.449 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.735 5.809 3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.380 6.013 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.871 5.686 5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.567 7.293 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.541 8.302 5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.861 6.742 4.615 1.00 0.00 H new ATOM 0 HE ARG A 64 1.242 6.481 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.260 8.950 5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.425 9.425 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.258 7.096 8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.424 8.380 8.575 1.00 0.00 H new ATOM 1021 N ARG A 65 5.922 7.929 3.023 1.00 0.00 N ATOM 1022 CA ARG A 65 7.239 8.500 3.286 1.00 0.00 C ATOM 1023 C ARG A 65 7.234 10.008 3.053 1.00 0.00 C ATOM 1024 O ARG A 65 7.777 10.772 3.850 1.00 0.00 O ATOM 1025 CB ARG A 65 8.293 7.838 2.396 1.00 0.00 C ATOM 1026 CG ARG A 65 8.556 6.382 2.743 1.00 0.00 C ATOM 1027 CD ARG A 65 9.776 5.847 2.010 1.00 0.00 C ATOM 1028 NE ARG A 65 9.498 5.592 0.598 1.00 0.00 N ATOM 1029 CZ ARG A 65 10.435 5.572 -0.343 1.00 0.00 C ATOM 1030 NH1 ARG A 65 11.704 5.788 -0.023 1.00 0.00 N ATOM 1031 NH2 ARG A 65 10.105 5.334 -1.606 1.00 0.00 N ATOM 0 H ARG A 65 5.937 7.069 2.474 1.00 0.00 H new ATOM 0 HA ARG A 65 7.487 8.312 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.971 7.902 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.226 8.396 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.704 6.284 3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.683 5.782 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.593 6.563 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.110 4.925 2.486 1.00 0.00 H new ATOM 0 HE ARG A 65 8.532 5.420 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.962 5.970 0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.422 5.772 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.130 5.166 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.826 5.319 -2.327 1.00 0.00 H new ATOM 1045 N LYS A 66 6.618 10.429 1.954 1.00 0.00 N ATOM 1046 CA LYS A 66 6.542 11.845 1.613 1.00 0.00 C ATOM 1047 C LYS A 66 5.800 12.624 2.694 1.00 0.00 C ATOM 1048 O LYS A 66 6.235 13.699 3.109 1.00 0.00 O ATOM 1049 CB LYS A 66 5.842 12.029 0.265 1.00 0.00 C ATOM 1050 CG LYS A 66 6.585 11.394 -0.898 1.00 0.00 C ATOM 1051 CD LYS A 66 5.652 11.102 -2.061 1.00 0.00 C ATOM 1052 CE LYS A 66 5.323 12.363 -2.844 1.00 0.00 C ATOM 1053 NZ LYS A 66 4.708 12.053 -4.164 1.00 0.00 N ATOM 0 H LYS A 66 6.164 9.809 1.283 1.00 0.00 H new ATOM 0 HA LYS A 66 7.558 12.232 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.841 11.601 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.722 13.095 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.383 12.059 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.057 10.469 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.114 10.371 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.731 10.655 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.641 12.984 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.233 12.944 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.499 12.939 -4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.369 11.482 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.826 11.521 -4.020 1.00 0.00 H new ATOM 1067 N LEU A 67 4.678 12.076 3.148 1.00 0.00 N ATOM 1068 CA LEU A 67 3.876 12.719 4.183 1.00 0.00 C ATOM 1069 C LEU A 67 4.699 12.951 5.445 1.00 0.00 C ATOM 1070 O LEU A 67 4.844 14.084 5.905 1.00 0.00 O ATOM 1071 CB LEU A 67 2.649 11.865 4.509 1.00 0.00 C ATOM 1072 CG LEU A 67 1.793 11.436 3.317 1.00 0.00 C ATOM 1073 CD1 LEU A 67 0.658 10.532 3.773 1.00 0.00 C ATOM 1074 CD2 LEU A 67 1.248 12.654 2.586 1.00 0.00 C ATOM 0 H LEU A 67 4.303 11.188 2.815 1.00 0.00 H new ATOM 0 HA LEU A 67 3.547 13.687 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.984 10.969 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.018 12.421 5.202 1.00 0.00 H new ATOM 0 HG LEU A 67 2.421 10.874 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.059 10.237 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.070 9.643 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.030 11.068 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.641 12.330 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.635 13.243 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.077 13.263 2.225 1.00 0.00 H new ATOM 1086 N ARG A 68 5.237 11.870 6.000 1.00 0.00 N ATOM 1087 CA ARG A 68 6.048 11.956 7.209 1.00 0.00 C ATOM 1088 C ARG A 68 7.227 12.904 7.008 1.00 0.00 C ATOM 1089 O ARG A 68 7.479 13.780 7.835 1.00 0.00 O ATOM 1090 CB ARG A 68 6.557 10.569 7.607 1.00 0.00 C ATOM 1091 CG ARG A 68 7.061 10.492 9.039 1.00 0.00 C ATOM 1092 CD ARG A 68 7.889 9.239 9.272 1.00 0.00 C ATOM 1093 NE ARG A 68 8.341 9.131 10.657 1.00 0.00 N ATOM 1094 CZ ARG A 68 9.399 8.421 11.031 1.00 0.00 C ATOM 1095 NH1 ARG A 68 10.112 7.761 10.129 1.00 0.00 N ATOM 1096 NH2 ARG A 68 9.746 8.371 12.310 1.00 0.00 N ATOM 0 H ARG A 68 5.126 10.925 5.632 1.00 0.00 H new ATOM 0 HA ARG A 68 5.421 12.349 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.753 9.845 7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.362 10.279 6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.662 11.373 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.214 10.502 9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.297 8.361 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.753 9.247 8.608 1.00 0.00 H new ATOM 0 HE ARG A 68 7.815 9.628 11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.848 7.798 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.924 7.217 10.420 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.200 8.878 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.559 7.826 12.597 1.00 0.00 H new ATOM 1110 N ASP A 69 7.944 12.721 5.905 1.00 0.00 N ATOM 1111 CA ASP A 69 9.096 13.561 5.594 1.00 0.00 C ATOM 1112 C ASP A 69 8.698 15.033 5.545 1.00 0.00 C ATOM 1113 O ASP A 69 9.381 15.890 6.107 1.00 0.00 O ATOM 1114 CB ASP A 69 9.714 13.142 4.260 1.00 0.00 C ATOM 1115 CG ASP A 69 10.732 12.029 4.416 1.00 0.00 C ATOM 1116 OD1 ASP A 69 10.337 10.915 4.818 1.00 0.00 O ATOM 1117 OD2 ASP A 69 11.925 12.274 4.139 1.00 0.00 O ATOM 0 H ASP A 69 7.749 11.999 5.211 1.00 0.00 H new ATOM 0 HA ASP A 69 9.835 13.429 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.924 12.815 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.192 14.005 3.798 1.00 0.00 H new ATOM 1122 N SER A 70 7.590 15.318 4.868 1.00 0.00 N ATOM 1123 CA SER A 70 7.105 16.686 4.742 1.00 0.00 C ATOM 1124 C SER A 70 6.500 17.173 6.055 1.00 0.00 C ATOM 1125 O SER A 70 6.117 16.373 6.908 1.00 0.00 O ATOM 1126 CB SER A 70 6.064 16.780 3.624 1.00 0.00 C ATOM 1127 OG SER A 70 5.775 18.130 3.305 1.00 0.00 O ATOM 0 H SER A 70 7.012 14.620 4.399 1.00 0.00 H new ATOM 0 HA SER A 70 7.954 17.323 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.432 16.265 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.150 16.272 3.931 1.00 0.00 H new ATOM 0 HG SER A 70 5.109 18.161 2.587 1.00 0.00 H new ATOM 1133 N MET A 71 6.420 18.491 6.210 1.00 0.00 N ATOM 1134 CA MET A 71 5.861 19.085 7.418 1.00 0.00 C ATOM 1135 C MET A 71 6.633 18.631 8.654 1.00 0.00 C ATOM 1136 O MET A 71 6.041 18.318 9.686 1.00 0.00 O ATOM 1137 CB MET A 71 4.384 18.711 7.561 1.00 0.00 C ATOM 1138 CG MET A 71 3.441 19.695 6.886 1.00 0.00 C ATOM 1139 SD MET A 71 2.989 21.073 7.959 1.00 0.00 S ATOM 1140 CE MET A 71 1.464 21.612 7.192 1.00 0.00 C ATOM 0 H MET A 71 6.735 19.167 5.514 1.00 0.00 H new ATOM 0 HA MET A 71 5.948 20.168 7.333 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.226 17.719 7.137 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.134 18.649 8.620 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.912 20.082 5.983 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.538 19.171 6.574 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.060 22.461 7.743 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.660 21.908 6.161 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.742 20.795 7.204 1.00 0.00 H new ATOM 1150 N GLU A 72 7.958 18.599 8.540 1.00 0.00 N ATOM 1151 CA GLU A 72 8.810 18.183 9.647 1.00 0.00 C ATOM 1152 C GLU A 72 8.484 18.975 10.911 1.00 0.00 C ATOM 1153 O GLU A 72 8.249 18.399 11.972 1.00 0.00 O ATOM 1154 CB GLU A 72 10.284 18.368 9.283 1.00 0.00 C ATOM 1155 CG GLU A 72 11.238 18.032 10.417 1.00 0.00 C ATOM 1156 CD GLU A 72 11.658 16.575 10.416 1.00 0.00 C ATOM 1157 OE1 GLU A 72 12.526 16.210 9.595 1.00 0.00 O ATOM 1158 OE2 GLU A 72 11.118 15.800 11.233 1.00 0.00 O ATOM 0 H GLU A 72 8.463 18.856 7.692 1.00 0.00 H new ATOM 0 HA GLU A 72 8.621 17.127 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.519 17.740 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.447 19.401 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.124 18.661 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.762 18.268 11.369 1.00 0.00 H new ATOM 1165 N GLN A 73 8.474 20.299 10.788 1.00 0.00 N ATOM 1166 CA GLN A 73 8.180 21.168 11.920 1.00 0.00 C ATOM 1167 C GLN A 73 6.685 21.182 12.220 1.00 0.00 C ATOM 1168 O GLN A 73 5.858 21.096 11.313 1.00 0.00 O ATOM 1169 CB GLN A 73 8.669 22.591 11.638 1.00 0.00 C ATOM 1170 CG GLN A 73 8.242 23.601 12.690 1.00 0.00 C ATOM 1171 CD GLN A 73 9.201 23.663 13.862 1.00 0.00 C ATOM 1172 OE1 GLN A 73 10.385 23.954 13.696 1.00 0.00 O ATOM 1173 NE2 GLN A 73 8.694 23.388 15.059 1.00 0.00 N ATOM 0 H GLN A 73 8.666 20.792 9.916 1.00 0.00 H new ATOM 0 HA GLN A 73 8.704 20.777 12.792 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.757 22.586 11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.292 22.910 10.666 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.169 24.588 12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.247 23.343 13.053 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.706 23.151 15.152 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.293 23.414 15.885 1.00 0.00 H new ATOM 1182 N ALA A 74 6.345 21.292 13.501 1.00 0.00 N ATOM 1183 CA ALA A 74 4.950 21.319 13.922 1.00 0.00 C ATOM 1184 C ALA A 74 4.589 22.666 14.540 1.00 0.00 C ATOM 1185 O ALA A 74 5.415 23.300 15.195 1.00 0.00 O ATOM 1186 CB ALA A 74 4.674 20.193 14.906 1.00 0.00 C ATOM 0 H ALA A 74 7.017 21.364 14.265 1.00 0.00 H new ATOM 0 HA ALA A 74 4.327 21.176 13.039 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.628 20.225 15.212 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.884 19.235 14.431 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.312 20.311 15.782 1.00 0.00 H new ATOM 1192 N VAL A 75 3.349 23.097 14.327 1.00 0.00 N ATOM 1193 CA VAL A 75 2.878 24.366 14.863 1.00 0.00 C ATOM 1194 C VAL A 75 2.039 24.156 16.119 1.00 0.00 C ATOM 1195 O VAL A 75 1.304 23.173 16.229 1.00 0.00 O ATOM 1196 CB VAL A 75 2.045 25.140 13.826 1.00 0.00 C ATOM 1197 CG1 VAL A 75 1.522 26.439 14.421 1.00 0.00 C ATOM 1198 CG2 VAL A 75 2.869 25.412 12.576 1.00 0.00 C ATOM 0 H VAL A 75 2.653 22.584 13.786 1.00 0.00 H new ATOM 0 HA VAL A 75 3.763 24.950 15.115 1.00 0.00 H new ATOM 0 HB VAL A 75 1.189 24.527 13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.936 26.972 13.673 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.894 26.217 15.284 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.362 27.060 14.734 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.264 25.960 11.854 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.745 26.005 12.840 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.189 24.466 12.138 1.00 0.00 H new ATOM 1208 N LEU A 76 2.151 25.084 17.062 1.00 0.00 N ATOM 1209 CA LEU A 76 1.401 25.001 18.311 1.00 0.00 C ATOM 1210 C LEU A 76 -0.064 25.366 18.091 1.00 0.00 C ATOM 1211 O LEU A 76 -0.376 26.439 17.573 1.00 0.00 O ATOM 1212 CB LEU A 76 2.016 25.927 19.361 1.00 0.00 C ATOM 1213 CG LEU A 76 3.271 25.406 20.062 1.00 0.00 C ATOM 1214 CD1 LEU A 76 3.941 26.519 20.854 1.00 0.00 C ATOM 1215 CD2 LEU A 76 2.927 24.234 20.970 1.00 0.00 C ATOM 0 H LEU A 76 2.754 25.903 16.986 1.00 0.00 H new ATOM 0 HA LEU A 76 1.451 23.973 18.669 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.259 26.876 18.882 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.261 26.136 20.119 1.00 0.00 H new ATOM 0 HG LEU A 76 3.971 25.057 19.302 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.832 26.130 21.346 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.223 27.327 20.179 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.248 26.899 21.605 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.832 23.876 21.461 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.209 24.556 21.724 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.493 23.429 20.377 1.00 0.00 H new ATOM 1227 N ASP A 77 -0.957 24.467 18.490 1.00 0.00 N ATOM 1228 CA ASP A 77 -2.390 24.696 18.340 1.00 0.00 C ATOM 1229 C ASP A 77 -3.100 24.595 19.686 1.00 0.00 C ATOM 1230 O ASP A 77 -2.807 23.709 20.489 1.00 0.00 O ATOM 1231 CB ASP A 77 -2.989 23.688 17.357 1.00 0.00 C ATOM 1232 CG ASP A 77 -2.443 22.289 17.557 1.00 0.00 C ATOM 1233 OD1 ASP A 77 -2.685 21.707 18.635 1.00 0.00 O ATOM 1234 OD2 ASP A 77 -1.771 21.775 16.638 1.00 0.00 O ATOM 0 H ASP A 77 -0.715 23.574 18.919 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.533 25.703 17.948 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.073 23.672 17.473 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.783 24.013 16.337 1.00 0.00 H new ATOM 1239 N SER A 78 -4.035 25.508 19.926 1.00 0.00 N ATOM 1240 CA SER A 78 -4.784 25.524 21.177 1.00 0.00 C ATOM 1241 C SER A 78 -5.919 24.505 21.145 1.00 0.00 C ATOM 1242 O SER A 78 -6.302 24.021 20.081 1.00 0.00 O ATOM 1243 CB SER A 78 -5.347 26.924 21.440 1.00 0.00 C ATOM 1244 OG SER A 78 -5.627 27.109 22.818 1.00 0.00 O ATOM 0 H SER A 78 -4.292 26.246 19.271 1.00 0.00 H new ATOM 0 HA SER A 78 -4.102 25.256 21.984 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.632 27.676 21.107 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.257 27.069 20.858 1.00 0.00 H new ATOM 0 HG SER A 78 -5.984 28.011 22.961 1.00 0.00 H new ATOM 1250 N MET A 79 -6.451 24.184 22.320 1.00 0.00 N ATOM 1251 CA MET A 79 -7.542 23.223 22.427 1.00 0.00 C ATOM 1252 C MET A 79 -8.760 23.855 23.093 1.00 0.00 C ATOM 1253 O MET A 79 -8.733 24.181 24.278 1.00 0.00 O ATOM 1254 CB MET A 79 -7.092 21.995 23.221 1.00 0.00 C ATOM 1255 CG MET A 79 -8.092 20.850 23.189 1.00 0.00 C ATOM 1256 SD MET A 79 -8.130 20.007 21.595 1.00 0.00 S ATOM 1257 CE MET A 79 -8.619 18.359 22.095 1.00 0.00 C ATOM 0 H MET A 79 -6.144 24.575 23.211 1.00 0.00 H new ATOM 0 HA MET A 79 -7.821 22.914 21.420 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.139 21.645 22.824 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.918 22.286 24.257 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.842 20.132 23.970 1.00 0.00 H new ATOM 0 HG3 MET A 79 -9.086 21.234 23.416 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.686 17.717 21.217 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.879 17.953 22.785 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.590 18.402 22.589 1.00 0.00 H new ATOM 1267 N GLY A 80 -9.829 24.027 22.320 1.00 0.00 N ATOM 1268 CA GLY A 80 -11.042 24.619 22.853 1.00 0.00 C ATOM 1269 C GLY A 80 -11.986 23.586 23.433 1.00 0.00 C ATOM 1270 O GLY A 80 -12.141 22.497 22.880 1.00 0.00 O ATOM 0 H GLY A 80 -9.876 23.767 21.335 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.780 25.342 23.626 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.552 25.169 22.062 1.00 0.00 H new ATOM 1274 N SER A 81 -12.619 23.927 24.551 1.00 0.00 N ATOM 1275 CA SER A 81 -13.549 23.017 25.210 1.00 0.00 C ATOM 1276 C SER A 81 -14.896 23.004 24.493 1.00 0.00 C ATOM 1277 O SER A 81 -15.342 24.022 23.965 1.00 0.00 O ATOM 1278 CB SER A 81 -13.742 23.422 26.674 1.00 0.00 C ATOM 1279 OG SER A 81 -14.161 24.773 26.777 1.00 0.00 O ATOM 0 H SER A 81 -12.505 24.826 25.019 1.00 0.00 H new ATOM 0 HA SER A 81 -13.126 22.013 25.171 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.482 22.772 27.140 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.808 23.285 27.219 1.00 0.00 H new ATOM 0 HG SER A 81 -14.279 25.008 27.721 1.00 0.00 H new ATOM 1285 N GLY A 82 -15.538 21.840 24.477 1.00 0.00 N ATOM 1286 CA GLY A 82 -16.827 21.714 23.822 1.00 0.00 C ATOM 1287 C GLY A 82 -17.982 22.045 24.746 1.00 0.00 C ATOM 1288 O GLY A 82 -18.438 23.186 24.798 1.00 0.00 O ATOM 0 H GLY A 82 -15.189 20.983 24.905 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.857 22.376 22.956 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.944 20.696 23.450 1.00 0.00 H new ATOM 1292 N LYS A 83 -18.459 21.042 25.476 1.00 0.00 N ATOM 1293 CA LYS A 83 -19.569 21.230 26.403 1.00 0.00 C ATOM 1294 C LYS A 83 -20.850 21.580 25.653 1.00 0.00 C ATOM 1295 O LYS A 83 -21.611 22.450 26.078 1.00 0.00 O ATOM 1296 CB LYS A 83 -19.238 22.333 27.410 1.00 0.00 C ATOM 1297 CG LYS A 83 -19.960 22.183 28.738 1.00 0.00 C ATOM 1298 CD LYS A 83 -19.661 23.344 29.670 1.00 0.00 C ATOM 1299 CE LYS A 83 -20.559 23.317 30.898 1.00 0.00 C ATOM 1300 NZ LYS A 83 -20.059 22.367 31.930 1.00 0.00 N ATOM 0 H LYS A 83 -18.094 20.090 25.443 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.726 20.293 26.938 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.163 22.338 27.589 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.493 23.299 26.975 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -21.034 22.122 28.564 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.661 21.248 29.212 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.617 23.304 29.980 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.799 24.285 29.137 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -20.620 24.318 31.325 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -21.569 23.034 30.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.698 22.378 32.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.024 21.407 31.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.105 22.652 32.231 1.00 0.00 H new ATOM 1314 N SER A 84 -21.084 20.896 24.538 1.00 0.00 N ATOM 1315 CA SER A 84 -22.272 21.137 23.727 1.00 0.00 C ATOM 1316 C SER A 84 -23.524 20.637 24.439 1.00 0.00 C ATOM 1317 O SER A 84 -24.541 21.326 24.488 1.00 0.00 O ATOM 1318 CB SER A 84 -22.135 20.451 22.367 1.00 0.00 C ATOM 1319 OG SER A 84 -23.201 20.812 21.505 1.00 0.00 O ATOM 0 H SER A 84 -20.466 20.170 24.175 1.00 0.00 H new ATOM 0 HA SER A 84 -22.367 22.212 23.574 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.184 20.727 21.911 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.122 19.369 22.501 1.00 0.00 H new ATOM 0 HG SER A 84 -23.090 20.362 20.642 1.00 0.00 H new ATOM 1325 N GLY A 85 -23.441 19.430 24.991 1.00 0.00 N ATOM 1326 CA GLY A 85 -24.575 18.856 25.694 1.00 0.00 C ATOM 1327 C GLY A 85 -25.110 17.613 25.012 1.00 0.00 C ATOM 1328 O GLY A 85 -25.752 17.680 23.964 1.00 0.00 O ATOM 0 H GLY A 85 -22.610 18.840 24.964 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -24.279 18.609 26.714 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -25.369 19.599 25.764 1.00 0.00 H new ATOM 1332 N PRO A 86 -24.843 16.443 25.613 1.00 0.00 N ATOM 1333 CA PRO A 86 -25.293 15.156 25.075 1.00 0.00 C ATOM 1334 C PRO A 86 -26.804 14.978 25.180 1.00 0.00 C ATOM 1335 O PRO A 86 -27.390 15.193 26.241 1.00 0.00 O ATOM 1336 CB PRO A 86 -24.572 14.132 25.954 1.00 0.00 C ATOM 1337 CG PRO A 86 -24.312 14.848 27.235 1.00 0.00 C ATOM 1338 CD PRO A 86 -24.084 16.288 26.865 1.00 0.00 C ATOM 0 HA PRO A 86 -25.070 15.059 24.013 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -25.186 13.245 26.114 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -23.643 13.798 25.492 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -25.157 14.749 27.916 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -23.442 14.433 27.744 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -24.445 16.964 27.640 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -23.025 16.503 26.722 1.00 0.00 H new ATOM 1346 N SER A 87 -27.427 14.585 24.075 1.00 0.00 N ATOM 1347 CA SER A 87 -28.871 14.381 24.043 1.00 0.00 C ATOM 1348 C SER A 87 -29.259 13.119 24.808 1.00 0.00 C ATOM 1349 O SER A 87 -28.672 12.055 24.611 1.00 0.00 O ATOM 1350 CB SER A 87 -29.363 14.287 22.597 1.00 0.00 C ATOM 1351 OG SER A 87 -30.751 14.553 22.512 1.00 0.00 O ATOM 0 H SER A 87 -26.955 14.401 23.189 1.00 0.00 H new ATOM 0 HA SER A 87 -29.344 15.237 24.525 1.00 0.00 H new ATOM 0 HB2 SER A 87 -28.815 14.996 21.976 1.00 0.00 H new ATOM 0 HB3 SER A 87 -29.156 13.292 22.203 1.00 0.00 H new ATOM 0 HG SER A 87 -31.040 14.488 21.578 1.00 0.00 H new ATOM 1357 N SER A 88 -30.253 13.247 25.683 1.00 0.00 N ATOM 1358 CA SER A 88 -30.717 12.118 26.481 1.00 0.00 C ATOM 1359 C SER A 88 -31.668 11.239 25.675 1.00 0.00 C ATOM 1360 O SER A 88 -31.511 10.019 25.626 1.00 0.00 O ATOM 1361 CB SER A 88 -31.416 12.617 27.746 1.00 0.00 C ATOM 1362 OG SER A 88 -30.474 12.982 28.740 1.00 0.00 O ATOM 0 H SER A 88 -30.751 14.120 25.857 1.00 0.00 H new ATOM 0 HA SER A 88 -29.850 11.522 26.763 1.00 0.00 H new ATOM 0 HB2 SER A 88 -32.044 13.474 27.504 1.00 0.00 H new ATOM 0 HB3 SER A 88 -32.074 11.839 28.133 1.00 0.00 H new ATOM 0 HG SER A 88 -30.947 13.299 29.538 1.00 0.00 H new ATOM 1368 N GLY A 89 -32.656 11.866 25.044 1.00 0.00 N ATOM 1369 CA GLY A 89 -33.618 11.126 24.250 1.00 0.00 C ATOM 1370 C GLY A 89 -33.009 10.564 22.980 1.00 0.00 C ATOM 1371 O GLY A 89 -32.718 11.305 22.042 1.00 0.00 O ATOM 0 H GLY A 89 -32.807 12.874 25.069 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -34.026 10.310 24.846 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -34.451 11.779 23.992 1.00 0.00 H new TER 1375 GLY A 89