USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 799 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 39 GLN : amide:sc= -5.66! C(o=-5.7!,f=-5.4!) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.112 (180deg=0) 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.592 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.03! USER MOD Single : A 35 ASN : amide:sc= -1.65! C(o=-1.7!,f=-5.5!) USER MOD Single : A 36 THR OG1 : rot -91:sc= -1.5! USER MOD Single : A 41 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.57) USER MOD Single : A 46 HIS : no HD1:sc=-0.00227 X(o=-0.0023,f=0) USER MOD Single : A 47 CYS SG : rot -95:sc= -1.94 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -90:sc= 0.456 USER MOD Single : A 64 GLN : amide:sc= -0.879 K(o=-0.88,f=-1.6!) USER MOD Single : A 68 CYS SG : rot 140:sc= -1.64 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -102:sc= -0.225 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 157:sc= 0 (180deg=-0.876) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -149:sc= -2.36! (180deg=-3.06!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00845 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS :FLIP no HD1:sc= 0.109 F(o=-1.4,f=0.11) USER MOD Single : A 104 ASN : amide:sc= -0.169 K(o=-0.17,f=-2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.364 12.175 -24.487 1.00 0.00 N ATOM 2 CA GLY A 1 -15.924 12.131 -24.296 1.00 0.00 C ATOM 3 C GLY A 1 -15.319 13.534 -24.368 1.00 0.00 C ATOM 4 O GLY A 1 -16.022 14.504 -24.649 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.836 11.727 -23.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.674 13.165 -24.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.614 11.665 -25.358 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.695 11.681 -23.330 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.472 11.496 -25.058 1.00 0.00 H new ATOM 8 N SER A 2 -14.021 13.598 -24.110 1.00 0.00 N ATOM 9 CA SER A 2 -13.313 14.866 -24.142 1.00 0.00 C ATOM 10 C SER A 2 -11.803 14.623 -24.119 1.00 0.00 C ATOM 11 O SER A 2 -11.354 13.505 -23.874 1.00 0.00 O ATOM 12 CB SER A 2 -13.725 15.757 -22.968 1.00 0.00 C ATOM 13 OG SER A 2 -13.615 17.142 -23.284 1.00 0.00 O ATOM 0 H SER A 2 -13.441 12.792 -23.878 1.00 0.00 H new ATOM 0 HA SER A 2 -13.578 15.382 -25.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.753 15.531 -22.684 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.099 15.531 -22.105 1.00 0.00 H new ATOM 0 HG SER A 2 -13.889 17.677 -22.510 1.00 0.00 H new ATOM 19 N SER A 3 -11.060 15.690 -24.378 1.00 0.00 N ATOM 20 CA SER A 3 -9.609 15.606 -24.391 1.00 0.00 C ATOM 21 C SER A 3 -9.019 16.599 -23.387 1.00 0.00 C ATOM 22 O SER A 3 -8.293 16.207 -22.475 1.00 0.00 O ATOM 23 CB SER A 3 -9.054 15.874 -25.791 1.00 0.00 C ATOM 24 OG SER A 3 -8.077 14.909 -26.171 1.00 0.00 O ATOM 0 H SER A 3 -11.436 16.616 -24.580 1.00 0.00 H new ATOM 0 HA SER A 3 -9.322 14.594 -24.104 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.871 15.866 -26.513 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.611 16.870 -25.821 1.00 0.00 H new ATOM 0 HG SER A 3 -7.748 15.113 -27.071 1.00 0.00 H new ATOM 30 N GLY A 4 -9.353 17.865 -23.590 1.00 0.00 N ATOM 31 CA GLY A 4 -8.865 18.917 -22.714 1.00 0.00 C ATOM 32 C GLY A 4 -8.864 20.269 -23.429 1.00 0.00 C ATOM 33 O GLY A 4 -9.276 20.365 -24.584 1.00 0.00 O ATOM 0 H GLY A 4 -9.955 18.186 -24.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.491 18.973 -21.823 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.856 18.678 -22.380 1.00 0.00 H new ATOM 37 N SER A 5 -8.398 21.282 -22.713 1.00 0.00 N ATOM 38 CA SER A 5 -8.338 22.624 -23.264 1.00 0.00 C ATOM 39 C SER A 5 -7.451 23.511 -22.389 1.00 0.00 C ATOM 40 O SER A 5 -7.459 23.388 -21.165 1.00 0.00 O ATOM 41 CB SER A 5 -9.737 23.232 -23.388 1.00 0.00 C ATOM 42 OG SER A 5 -10.254 23.644 -22.126 1.00 0.00 O ATOM 0 H SER A 5 -8.058 21.199 -21.755 1.00 0.00 H new ATOM 0 HA SER A 5 -7.907 22.563 -24.263 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.702 24.088 -24.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.411 22.502 -23.835 1.00 0.00 H new ATOM 0 HG SER A 5 -11.147 24.028 -22.248 1.00 0.00 H new ATOM 48 N SER A 6 -6.706 24.385 -23.050 1.00 0.00 N ATOM 49 CA SER A 6 -5.814 25.292 -22.347 1.00 0.00 C ATOM 50 C SER A 6 -4.775 24.495 -21.556 1.00 0.00 C ATOM 51 O SER A 6 -5.006 23.338 -21.210 1.00 0.00 O ATOM 52 CB SER A 6 -6.595 26.219 -21.414 1.00 0.00 C ATOM 53 OG SER A 6 -6.825 27.497 -22.000 1.00 0.00 O ATOM 0 H SER A 6 -6.702 24.484 -24.065 1.00 0.00 H new ATOM 0 HA SER A 6 -5.303 25.910 -23.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.550 25.759 -21.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.045 26.342 -20.481 1.00 0.00 H new ATOM 0 HG SER A 6 -7.328 28.058 -21.374 1.00 0.00 H new ATOM 59 N GLY A 7 -3.652 25.147 -21.293 1.00 0.00 N ATOM 60 CA GLY A 7 -2.576 24.514 -20.549 1.00 0.00 C ATOM 61 C GLY A 7 -2.751 24.726 -19.044 1.00 0.00 C ATOM 62 O GLY A 7 -2.052 25.541 -18.443 1.00 0.00 O ATOM 0 H GLY A 7 -3.464 26.107 -21.582 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.556 23.447 -20.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.618 24.924 -20.869 1.00 0.00 H new ATOM 66 N SER A 8 -3.687 23.979 -18.478 1.00 0.00 N ATOM 67 CA SER A 8 -3.963 24.076 -17.055 1.00 0.00 C ATOM 68 C SER A 8 -2.853 23.387 -16.259 1.00 0.00 C ATOM 69 O SER A 8 -2.697 22.169 -16.331 1.00 0.00 O ATOM 70 CB SER A 8 -5.321 23.459 -16.714 1.00 0.00 C ATOM 71 OG SER A 8 -6.377 24.412 -16.801 1.00 0.00 O ATOM 0 H SER A 8 -4.264 23.304 -18.979 1.00 0.00 H new ATOM 0 HA SER A 8 -3.995 25.131 -16.784 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.524 22.630 -17.393 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.288 23.045 -15.706 1.00 0.00 H new ATOM 0 HG SER A 8 -7.227 23.979 -16.578 1.00 0.00 H new ATOM 77 N ALA A 9 -2.110 24.197 -15.519 1.00 0.00 N ATOM 78 CA ALA A 9 -1.018 23.681 -14.710 1.00 0.00 C ATOM 79 C ALA A 9 -1.592 22.926 -13.509 1.00 0.00 C ATOM 80 O ALA A 9 -2.112 23.538 -12.578 1.00 0.00 O ATOM 81 CB ALA A 9 -0.103 24.833 -14.292 1.00 0.00 C ATOM 0 H ALA A 9 -2.242 25.207 -15.463 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.414 22.978 -15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.716 24.446 -13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.302 25.317 -15.181 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.673 25.558 -13.711 1.00 0.00 H new ATOM 87 N SER A 10 -1.477 21.607 -13.570 1.00 0.00 N ATOM 88 CA SER A 10 -1.978 20.762 -12.499 1.00 0.00 C ATOM 89 C SER A 10 -1.442 19.338 -12.662 1.00 0.00 C ATOM 90 O SER A 10 -1.185 18.892 -13.779 1.00 0.00 O ATOM 91 CB SER A 10 -3.507 20.755 -12.473 1.00 0.00 C ATOM 92 OG SER A 10 -4.019 20.766 -11.143 1.00 0.00 O ATOM 0 H SER A 10 -1.044 21.103 -14.344 1.00 0.00 H new ATOM 0 HA SER A 10 -1.628 21.168 -11.550 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.883 21.624 -13.013 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.874 19.872 -12.995 1.00 0.00 H new ATOM 0 HG SER A 10 -4.999 20.763 -11.170 1.00 0.00 H new ATOM 98 N LYS A 11 -1.291 18.664 -11.531 1.00 0.00 N ATOM 99 CA LYS A 11 -0.791 17.300 -11.535 1.00 0.00 C ATOM 100 C LYS A 11 -1.631 16.456 -12.495 1.00 0.00 C ATOM 101 O LYS A 11 -2.753 16.828 -12.834 1.00 0.00 O ATOM 102 CB LYS A 11 -0.740 16.745 -10.110 1.00 0.00 C ATOM 103 CG LYS A 11 0.704 16.627 -9.619 1.00 0.00 C ATOM 104 CD LYS A 11 0.872 15.418 -8.696 1.00 0.00 C ATOM 105 CE LYS A 11 2.053 15.616 -7.742 1.00 0.00 C ATOM 106 NZ LYS A 11 1.622 16.346 -6.529 1.00 0.00 N ATOM 0 H LYS A 11 -1.506 19.037 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 11 0.235 17.271 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.303 17.397 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.219 15.767 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.376 16.534 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.987 17.536 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.042 15.264 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.029 14.519 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.469 14.648 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.846 16.170 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.435 16.472 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.246 17.277 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.881 15.802 -6.041 1.00 0.00 H new ATOM 120 N ARG A 12 -1.056 15.335 -12.905 1.00 0.00 N ATOM 121 CA ARG A 12 -1.739 14.435 -13.819 1.00 0.00 C ATOM 122 C ARG A 12 -1.481 12.980 -13.422 1.00 0.00 C ATOM 123 O ARG A 12 -0.331 12.565 -13.283 1.00 0.00 O ATOM 124 CB ARG A 12 -1.272 14.654 -15.259 1.00 0.00 C ATOM 125 CG ARG A 12 0.256 14.693 -15.340 1.00 0.00 C ATOM 126 CD ARG A 12 0.771 13.757 -16.435 1.00 0.00 C ATOM 127 NE ARG A 12 1.939 14.364 -17.112 1.00 0.00 N ATOM 128 CZ ARG A 12 2.363 14.016 -18.335 1.00 0.00 C ATOM 129 NH1 ARG A 12 1.719 13.063 -19.021 1.00 0.00 N ATOM 130 NH2 ARG A 12 3.432 14.621 -18.870 1.00 0.00 N ATOM 0 H ARG A 12 -0.125 15.029 -12.621 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.806 14.648 -13.759 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.653 13.854 -15.894 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.684 15.588 -15.641 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.587 15.712 -15.542 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.682 14.404 -14.379 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.050 12.796 -16.002 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.019 13.562 -17.160 1.00 0.00 H new ATOM 0 HE ARG A 12 2.453 15.093 -16.617 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.906 12.602 -18.613 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.042 12.798 -19.952 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.923 15.346 -18.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.755 14.357 -19.801 1.00 0.00 H new ATOM 144 N TRP A 13 -2.570 12.245 -13.252 1.00 0.00 N ATOM 145 CA TRP A 13 -2.476 10.845 -12.874 1.00 0.00 C ATOM 146 C TRP A 13 -2.813 9.999 -14.104 1.00 0.00 C ATOM 147 O TRP A 13 -3.595 10.420 -14.955 1.00 0.00 O ATOM 148 CB TRP A 13 -3.375 10.539 -11.674 1.00 0.00 C ATOM 149 CG TRP A 13 -2.837 11.069 -10.343 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.735 12.344 -9.944 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.330 10.281 -9.246 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.201 12.436 -8.675 1.00 0.00 N ATOM 153 CE2 TRP A 13 -1.947 11.141 -8.237 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.198 8.888 -9.110 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.407 10.704 -7.021 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.658 8.467 -7.889 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.267 9.320 -6.864 1.00 0.00 C ATOM 0 H TRP A 13 -3.522 12.592 -13.369 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.464 10.601 -12.550 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.361 10.968 -11.853 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.506 9.460 -11.597 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.033 13.193 -10.541 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.025 13.295 -8.154 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.490 8.197 -9.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.114 11.397 -6.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.537 7.405 -7.733 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.857 8.917 -5.950 1.00 0.00 H new ATOM 168 N SER A 14 -2.206 8.823 -14.158 1.00 0.00 N ATOM 169 CA SER A 14 -2.432 7.915 -15.270 1.00 0.00 C ATOM 170 C SER A 14 -3.786 7.222 -15.113 1.00 0.00 C ATOM 171 O SER A 14 -4.483 7.432 -14.121 1.00 0.00 O ATOM 172 CB SER A 14 -1.312 6.877 -15.369 1.00 0.00 C ATOM 173 OG SER A 14 -0.637 6.937 -16.623 1.00 0.00 O ATOM 0 H SER A 14 -1.558 8.478 -13.450 1.00 0.00 H new ATOM 0 HA SER A 14 -2.434 8.497 -16.192 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.596 7.039 -14.564 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.729 5.880 -15.229 1.00 0.00 H new ATOM 0 HG SER A 14 0.071 6.260 -16.646 1.00 0.00 H new ATOM 179 N PRO A 15 -4.127 6.389 -16.132 1.00 0.00 N ATOM 180 CA PRO A 15 -5.386 5.663 -16.116 1.00 0.00 C ATOM 181 C PRO A 15 -5.333 4.493 -15.131 1.00 0.00 C ATOM 182 O PRO A 15 -4.268 3.924 -14.895 1.00 0.00 O ATOM 183 CB PRO A 15 -5.603 5.220 -17.553 1.00 0.00 C ATOM 184 CG PRO A 15 -4.243 5.308 -18.226 1.00 0.00 C ATOM 185 CD PRO A 15 -3.327 6.116 -17.322 1.00 0.00 C ATOM 0 HA PRO A 15 -6.220 6.275 -15.772 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.994 4.203 -17.593 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.329 5.861 -18.054 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.834 4.311 -18.391 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.331 5.783 -19.203 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.424 5.558 -17.073 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.008 7.040 -17.805 1.00 0.00 H new ATOM 193 N PRO A 16 -6.525 4.161 -14.568 1.00 0.00 N ATOM 194 CA PRO A 16 -6.624 3.069 -13.614 1.00 0.00 C ATOM 195 C PRO A 16 -6.541 1.715 -14.321 1.00 0.00 C ATOM 196 O PRO A 16 -7.211 1.494 -15.328 1.00 0.00 O ATOM 197 CB PRO A 16 -7.949 3.288 -12.902 1.00 0.00 C ATOM 198 CG PRO A 16 -8.755 4.216 -13.796 1.00 0.00 C ATOM 199 CD PRO A 16 -7.806 4.813 -14.823 1.00 0.00 C ATOM 0 HA PRO A 16 -5.801 3.058 -12.900 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.471 2.343 -12.749 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.795 3.730 -11.918 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.557 3.668 -14.290 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.223 5.004 -13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.152 4.623 -15.839 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.729 5.894 -14.710 1.00 0.00 H new ATOM 207 N ARG A 17 -5.713 0.843 -13.764 1.00 0.00 N ATOM 208 CA ARG A 17 -5.534 -0.484 -14.328 1.00 0.00 C ATOM 209 C ARG A 17 -6.561 -1.454 -13.740 1.00 0.00 C ATOM 210 O ARG A 17 -7.229 -1.136 -12.758 1.00 0.00 O ATOM 211 CB ARG A 17 -4.126 -1.014 -14.052 1.00 0.00 C ATOM 212 CG ARG A 17 -3.077 0.081 -14.255 1.00 0.00 C ATOM 213 CD ARG A 17 -1.706 -0.371 -13.750 1.00 0.00 C ATOM 214 NE ARG A 17 -1.215 -1.505 -14.566 1.00 0.00 N ATOM 215 CZ ARG A 17 0.069 -1.879 -14.635 1.00 0.00 C ATOM 216 NH1 ARG A 17 1.000 -1.213 -13.939 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.423 -2.920 -15.402 1.00 0.00 N ATOM 0 H ARG A 17 -5.159 1.030 -12.928 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.677 -0.408 -15.406 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.070 -1.391 -13.031 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.913 -1.853 -14.714 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.013 0.336 -15.313 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.383 0.984 -13.727 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.999 0.457 -13.801 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.774 -0.668 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.897 -2.034 -15.109 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.731 -0.420 -13.356 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.978 -1.499 -13.992 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.286 -3.427 -15.933 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.401 -3.205 -15.455 1.00 0.00 H new ATOM 231 N GLY A 18 -6.654 -2.618 -14.367 1.00 0.00 N ATOM 232 CA GLY A 18 -7.589 -3.636 -13.918 1.00 0.00 C ATOM 233 C GLY A 18 -6.852 -4.908 -13.495 1.00 0.00 C ATOM 234 O GLY A 18 -6.414 -5.687 -14.341 1.00 0.00 O ATOM 0 H GLY A 18 -6.098 -2.878 -15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.173 -3.254 -13.081 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.292 -3.868 -14.718 1.00 0.00 H new ATOM 238 N ILE A 19 -6.737 -5.080 -12.186 1.00 0.00 N ATOM 239 CA ILE A 19 -6.061 -6.244 -11.640 1.00 0.00 C ATOM 240 C ILE A 19 -7.099 -7.307 -11.274 1.00 0.00 C ATOM 241 O ILE A 19 -8.253 -6.983 -11.000 1.00 0.00 O ATOM 242 CB ILE A 19 -5.156 -5.841 -10.475 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.390 -4.555 -10.794 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.217 -6.985 -10.087 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.428 -4.194 -9.660 1.00 0.00 C ATOM 0 H ILE A 19 -7.101 -4.432 -11.488 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.402 -6.686 -12.387 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.786 -5.635 -9.610 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.833 -4.680 -11.722 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.094 -3.738 -10.952 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.585 -6.671 -9.256 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.805 -7.853 -9.788 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.591 -7.247 -10.940 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.896 -3.276 -9.912 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.991 -4.046 -8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.710 -5.002 -9.520 1.00 0.00 H new ATOM 257 N HIS A 20 -6.650 -8.554 -11.281 1.00 0.00 N ATOM 258 CA HIS A 20 -7.526 -9.666 -10.953 1.00 0.00 C ATOM 259 C HIS A 20 -6.763 -10.688 -10.109 1.00 0.00 C ATOM 260 O HIS A 20 -5.863 -11.362 -10.608 1.00 0.00 O ATOM 261 CB HIS A 20 -8.129 -10.275 -12.221 1.00 0.00 C ATOM 262 CG HIS A 20 -7.247 -10.152 -13.440 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.564 -9.341 -14.516 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.057 -10.745 -13.742 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.601 -9.450 -15.419 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.668 -10.321 -14.938 1.00 0.00 N ATOM 0 H HIS A 20 -5.692 -8.819 -11.509 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.366 -9.309 -10.357 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.338 -11.330 -12.041 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.084 -9.791 -12.426 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.522 -11.442 -13.114 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.562 -8.939 -16.370 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.813 -10.600 -15.418 1.00 0.00 H new ATOM 274 N PHE A 21 -7.150 -10.772 -8.845 1.00 0.00 N ATOM 275 CA PHE A 21 -6.514 -11.701 -7.927 1.00 0.00 C ATOM 276 C PHE A 21 -7.439 -12.033 -6.754 1.00 0.00 C ATOM 277 O PHE A 21 -8.540 -11.495 -6.656 1.00 0.00 O ATOM 278 CB PHE A 21 -5.258 -11.010 -7.391 1.00 0.00 C ATOM 279 CG PHE A 21 -5.546 -9.840 -6.448 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.878 -8.623 -6.956 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.470 -10.017 -5.101 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.145 -7.537 -6.081 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.737 -8.931 -4.226 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.069 -7.714 -4.734 1.00 0.00 C ATOM 0 H PHE A 21 -7.897 -10.211 -8.435 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.278 -12.632 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.648 -11.745 -6.866 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.668 -10.648 -8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.939 -8.482 -8.025 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.207 -10.983 -4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.408 -6.571 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.676 -9.072 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.272 -6.888 -4.068 1.00 0.00 H new ATOM 294 N THR A 22 -6.957 -12.918 -5.894 1.00 0.00 N ATOM 295 CA THR A 22 -7.726 -13.328 -4.732 1.00 0.00 C ATOM 296 C THR A 22 -6.987 -12.957 -3.445 1.00 0.00 C ATOM 297 O THR A 22 -5.977 -13.572 -3.105 1.00 0.00 O ATOM 298 CB THR A 22 -8.011 -14.826 -4.859 1.00 0.00 C ATOM 299 OG1 THR A 22 -9.164 -14.891 -5.694 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.472 -15.448 -3.539 1.00 0.00 C ATOM 0 H THR A 22 -6.043 -13.363 -5.979 1.00 0.00 H new ATOM 0 HA THR A 22 -8.680 -12.803 -4.684 1.00 0.00 H new ATOM 0 HB THR A 22 -7.114 -15.337 -5.208 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.417 -15.828 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.661 -16.512 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.696 -15.317 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.388 -14.959 -3.207 1.00 0.00 H new ATOM 308 N VAL A 23 -7.520 -11.953 -2.763 1.00 0.00 N ATOM 309 CA VAL A 23 -6.923 -11.493 -1.521 1.00 0.00 C ATOM 310 C VAL A 23 -6.463 -12.701 -0.703 1.00 0.00 C ATOM 311 O VAL A 23 -6.929 -13.818 -0.922 1.00 0.00 O ATOM 312 CB VAL A 23 -7.910 -10.601 -0.766 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.460 -10.386 0.681 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.102 -9.264 -1.485 1.00 0.00 C ATOM 0 H VAL A 23 -8.358 -11.446 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.042 -10.883 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.873 -11.111 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.179 -9.748 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.399 -11.348 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.480 -9.908 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.808 -8.649 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.145 -8.747 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.490 -9.443 -2.488 1.00 0.00 H new ATOM 324 N GLU A 24 -5.554 -12.436 0.224 1.00 0.00 N ATOM 325 CA GLU A 24 -5.025 -13.488 1.076 1.00 0.00 C ATOM 326 C GLU A 24 -5.143 -13.088 2.548 1.00 0.00 C ATOM 327 O GLU A 24 -4.380 -12.252 3.031 1.00 0.00 O ATOM 328 CB GLU A 24 -3.576 -13.814 0.711 1.00 0.00 C ATOM 329 CG GLU A 24 -3.513 -14.788 -0.467 1.00 0.00 C ATOM 330 CD GLU A 24 -3.395 -16.233 0.022 1.00 0.00 C ATOM 331 OE1 GLU A 24 -2.798 -16.418 1.105 1.00 0.00 O ATOM 332 OE2 GLU A 24 -3.905 -17.119 -0.697 1.00 0.00 O ATOM 0 H GLU A 24 -5.170 -11.508 0.404 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.616 -14.390 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.046 -12.896 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.069 -14.247 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.407 -14.680 -1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.660 -14.544 -1.100 1.00 0.00 H new ATOM 339 N GLU A 25 -6.104 -13.703 3.221 1.00 0.00 N ATOM 340 CA GLU A 25 -6.331 -13.421 4.628 1.00 0.00 C ATOM 341 C GLU A 25 -5.320 -14.179 5.491 1.00 0.00 C ATOM 342 O GLU A 25 -5.703 -14.911 6.404 1.00 0.00 O ATOM 343 CB GLU A 25 -7.766 -13.767 5.032 1.00 0.00 C ATOM 344 CG GLU A 25 -8.578 -12.501 5.309 1.00 0.00 C ATOM 345 CD GLU A 25 -9.524 -12.704 6.494 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.614 -13.268 6.260 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.135 -12.290 7.608 1.00 0.00 O ATOM 0 H GLU A 25 -6.735 -14.396 2.818 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.190 -12.353 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.242 -14.342 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.755 -14.398 5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.903 -11.670 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.152 -12.232 4.423 1.00 0.00 H new ATOM 354 N GLY A 26 -4.050 -13.979 5.172 1.00 0.00 N ATOM 355 CA GLY A 26 -2.982 -14.635 5.907 1.00 0.00 C ATOM 356 C GLY A 26 -1.615 -14.087 5.493 1.00 0.00 C ATOM 357 O GLY A 26 -0.745 -13.875 6.336 1.00 0.00 O ATOM 0 H GLY A 26 -3.736 -13.372 4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.128 -14.487 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.017 -15.709 5.726 1.00 0.00 H new ATOM 361 N ASP A 27 -1.468 -13.872 4.193 1.00 0.00 N ATOM 362 CA ASP A 27 -0.222 -13.353 3.657 1.00 0.00 C ATOM 363 C ASP A 27 -0.507 -12.595 2.359 1.00 0.00 C ATOM 364 O ASP A 27 -0.474 -13.176 1.276 1.00 0.00 O ATOM 365 CB ASP A 27 0.755 -14.486 3.337 1.00 0.00 C ATOM 366 CG ASP A 27 1.354 -15.187 4.558 1.00 0.00 C ATOM 367 OD1 ASP A 27 1.967 -14.471 5.379 1.00 0.00 O ATOM 368 OD2 ASP A 27 1.186 -16.423 4.642 1.00 0.00 O ATOM 0 H ASP A 27 -2.192 -14.048 3.496 1.00 0.00 H new ATOM 0 HA ASP A 27 0.220 -12.697 4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.240 -15.228 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.568 -14.085 2.732 1.00 0.00 H new ATOM 373 N LEU A 28 -0.781 -11.307 2.511 1.00 0.00 N ATOM 374 CA LEU A 28 -1.072 -10.463 1.365 1.00 0.00 C ATOM 375 C LEU A 28 0.171 -10.371 0.477 1.00 0.00 C ATOM 376 O LEU A 28 0.060 -10.187 -0.735 1.00 0.00 O ATOM 377 CB LEU A 28 -1.604 -9.103 1.822 1.00 0.00 C ATOM 378 CG LEU A 28 -2.994 -9.107 2.459 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.264 -7.793 3.194 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.074 -9.414 1.419 1.00 0.00 C ATOM 0 H LEU A 28 -0.807 -10.828 3.411 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.865 -10.902 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.899 -8.681 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.622 -8.434 0.961 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.026 -9.904 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.259 -7.822 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.520 -7.656 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.205 -6.963 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.053 -9.411 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.051 -8.656 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.888 -10.394 0.980 1.00 0.00 H new ATOM 392 N GLY A 29 1.325 -10.502 1.114 1.00 0.00 N ATOM 393 CA GLY A 29 2.587 -10.435 0.396 1.00 0.00 C ATOM 394 C GLY A 29 3.016 -8.983 0.174 1.00 0.00 C ATOM 395 O GLY A 29 4.085 -8.725 -0.377 1.00 0.00 O ATOM 0 H GLY A 29 1.413 -10.654 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.357 -10.964 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.490 -10.940 -0.565 1.00 0.00 H new ATOM 399 N PHE A 30 2.159 -8.073 0.615 1.00 0.00 N ATOM 400 CA PHE A 30 2.436 -6.654 0.471 1.00 0.00 C ATOM 401 C PHE A 30 1.811 -5.855 1.616 1.00 0.00 C ATOM 402 O PHE A 30 1.050 -6.399 2.415 1.00 0.00 O ATOM 403 CB PHE A 30 1.806 -6.207 -0.850 1.00 0.00 C ATOM 404 CG PHE A 30 0.278 -6.124 -0.814 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.331 -5.019 -0.304 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.470 -7.154 -1.291 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.748 -4.942 -0.271 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.888 -7.076 -1.257 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.497 -5.972 -0.748 1.00 0.00 C ATOM 0 H PHE A 30 1.273 -8.291 1.072 1.00 0.00 H new ATOM 0 HA PHE A 30 3.512 -6.481 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.207 -5.230 -1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.104 -6.901 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.264 -4.201 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.013 -8.031 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.232 -4.065 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.483 -7.894 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.575 -5.913 -0.723 1.00 0.00 H new ATOM 419 N THR A 31 2.156 -4.576 1.660 1.00 0.00 N ATOM 420 CA THR A 31 1.639 -3.697 2.695 1.00 0.00 C ATOM 421 C THR A 31 1.196 -2.364 2.089 1.00 0.00 C ATOM 422 O THR A 31 1.359 -2.138 0.891 1.00 0.00 O ATOM 423 CB THR A 31 2.717 -3.547 3.770 1.00 0.00 C ATOM 424 OG1 THR A 31 2.596 -2.192 4.197 1.00 0.00 O ATOM 425 CG2 THR A 31 4.133 -3.632 3.196 1.00 0.00 C ATOM 0 H THR A 31 2.787 -4.128 0.996 1.00 0.00 H new ATOM 0 HA THR A 31 0.749 -4.118 3.163 1.00 0.00 H new ATOM 0 HB THR A 31 2.585 -4.321 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.258 -2.009 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.859 -3.519 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.273 -4.600 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.277 -2.838 2.464 1.00 0.00 H new ATOM 433 N LEU A 32 0.644 -1.516 2.945 1.00 0.00 N ATOM 434 CA LEU A 32 0.176 -0.211 2.509 1.00 0.00 C ATOM 435 C LEU A 32 0.834 0.874 3.363 1.00 0.00 C ATOM 436 O LEU A 32 0.663 0.899 4.581 1.00 0.00 O ATOM 437 CB LEU A 32 -1.353 -0.159 2.520 1.00 0.00 C ATOM 438 CG LEU A 32 -2.066 -1.197 1.651 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.569 -1.216 1.940 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.771 -0.967 0.168 1.00 0.00 C ATOM 0 H LEU A 32 0.510 -1.707 3.938 1.00 0.00 H new ATOM 0 HA LEU A 32 0.471 -0.027 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.693 -0.280 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.665 0.834 2.195 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.676 -2.182 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.051 -1.962 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.735 -1.465 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.993 -0.234 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.290 -1.718 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.115 0.026 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.698 -1.044 -0.006 1.00 0.00 H new ATOM 452 N ARG A 33 1.574 1.744 2.691 1.00 0.00 N ATOM 453 CA ARG A 33 2.259 2.828 3.373 1.00 0.00 C ATOM 454 C ARG A 33 1.729 4.179 2.888 1.00 0.00 C ATOM 455 O ARG A 33 1.049 4.253 1.866 1.00 0.00 O ATOM 456 CB ARG A 33 3.769 2.765 3.131 1.00 0.00 C ATOM 457 CG ARG A 33 4.416 1.675 3.989 1.00 0.00 C ATOM 458 CD ARG A 33 5.159 2.284 5.180 1.00 0.00 C ATOM 459 NE ARG A 33 5.195 1.319 6.301 1.00 0.00 N ATOM 460 CZ ARG A 33 5.707 1.590 7.509 1.00 0.00 C ATOM 461 NH1 ARG A 33 6.229 2.798 7.760 1.00 0.00 N ATOM 462 NH2 ARG A 33 5.697 0.652 8.466 1.00 0.00 N ATOM 0 H ARG A 33 1.714 1.720 1.681 1.00 0.00 H new ATOM 0 HA ARG A 33 2.068 2.720 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.964 2.567 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.219 3.730 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.650 0.986 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.110 1.093 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.174 2.552 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.665 3.203 5.496 1.00 0.00 H new ATOM 0 HE ARG A 33 4.806 0.389 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.237 3.512 7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.619 3.004 8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.300 -0.268 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.087 0.858 9.386 1.00 0.00 H new ATOM 476 N GLY A 34 2.059 5.215 3.646 1.00 0.00 N ATOM 477 CA GLY A 34 1.624 6.559 3.307 1.00 0.00 C ATOM 478 C GLY A 34 0.259 6.866 3.925 1.00 0.00 C ATOM 479 O GLY A 34 -0.172 6.188 4.856 1.00 0.00 O ATOM 0 H GLY A 34 2.623 5.150 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.358 7.283 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.569 6.665 2.224 1.00 0.00 H new ATOM 483 N ASN A 35 -0.384 7.890 3.382 1.00 0.00 N ATOM 484 CA ASN A 35 -1.692 8.295 3.869 1.00 0.00 C ATOM 485 C ASN A 35 -2.750 7.957 2.817 1.00 0.00 C ATOM 486 O ASN A 35 -3.568 7.061 3.020 1.00 0.00 O ATOM 487 CB ASN A 35 -1.742 9.803 4.122 1.00 0.00 C ATOM 488 CG ASN A 35 -0.787 10.548 3.187 1.00 0.00 C ATOM 489 OD1 ASN A 35 0.393 10.251 3.097 1.00 0.00 O ATOM 490 ND2 ASN A 35 -1.362 11.530 2.499 1.00 0.00 N ATOM 0 H ASN A 35 -0.024 8.451 2.610 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.883 7.766 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.759 10.167 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.477 10.010 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.810 12.088 1.848 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.355 11.725 2.622 1.00 0.00 H new ATOM 497 N THR A 36 -2.699 8.691 1.715 1.00 0.00 N ATOM 498 CA THR A 36 -3.644 8.480 0.631 1.00 0.00 C ATOM 499 C THR A 36 -3.289 9.367 -0.564 1.00 0.00 C ATOM 500 O THR A 36 -2.901 10.521 -0.393 1.00 0.00 O ATOM 501 CB THR A 36 -5.052 8.729 1.176 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.906 8.448 0.070 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.310 10.206 1.481 1.00 0.00 C ATOM 0 H THR A 36 -2.018 9.432 1.549 1.00 0.00 H new ATOM 0 HA THR A 36 -3.600 7.456 0.261 1.00 0.00 H new ATOM 0 HB THR A 36 -5.200 8.141 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.064 9.271 -0.439 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.323 10.327 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.596 10.554 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.195 10.791 0.569 1.00 0.00 H new ATOM 511 N PRO A 37 -3.439 8.777 -1.781 1.00 0.00 N ATOM 512 CA PRO A 37 -3.904 7.405 -1.896 1.00 0.00 C ATOM 513 C PRO A 37 -2.799 6.418 -1.515 1.00 0.00 C ATOM 514 O PRO A 37 -1.667 6.537 -1.983 1.00 0.00 O ATOM 515 CB PRO A 37 -4.356 7.263 -3.340 1.00 0.00 C ATOM 516 CG PRO A 37 -3.702 8.407 -4.097 1.00 0.00 C ATOM 517 CD PRO A 37 -3.171 9.399 -3.074 1.00 0.00 C ATOM 0 HA PRO A 37 -4.723 7.179 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.054 6.300 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.442 7.315 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.892 8.036 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.423 8.889 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.105 9.579 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.671 10.363 -3.161 1.00 0.00 H new ATOM 525 N VAL A 38 -3.165 5.466 -0.671 1.00 0.00 N ATOM 526 CA VAL A 38 -2.218 4.459 -0.222 1.00 0.00 C ATOM 527 C VAL A 38 -1.519 3.845 -1.437 1.00 0.00 C ATOM 528 O VAL A 38 -2.094 3.782 -2.522 1.00 0.00 O ATOM 529 CB VAL A 38 -2.932 3.419 0.645 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.407 4.037 1.962 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.097 2.780 -0.113 1.00 0.00 C ATOM 0 H VAL A 38 -4.104 5.370 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.448 4.911 0.403 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.216 2.632 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.911 3.277 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.549 4.422 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.100 4.852 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.587 2.045 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.814 3.551 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.721 2.288 -1.010 1.00 0.00 H new ATOM 541 N GLN A 39 -0.288 3.409 -1.213 1.00 0.00 N ATOM 542 CA GLN A 39 0.496 2.803 -2.276 1.00 0.00 C ATOM 543 C GLN A 39 0.780 1.335 -1.955 1.00 0.00 C ATOM 544 O GLN A 39 0.562 0.889 -0.829 1.00 0.00 O ATOM 545 CB GLN A 39 1.796 3.576 -2.507 1.00 0.00 C ATOM 546 CG GLN A 39 1.530 4.887 -3.250 1.00 0.00 C ATOM 547 CD GLN A 39 2.588 5.937 -2.904 1.00 0.00 C ATOM 548 OE1 GLN A 39 2.353 6.869 -2.153 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.763 5.734 -3.493 1.00 0.00 N ATOM 0 H GLN A 39 0.186 3.463 -0.311 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.083 2.847 -3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.273 3.787 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.491 2.963 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.529 4.706 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.541 5.263 -2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.892 4.933 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.535 6.379 -3.327 1.00 0.00 H new ATOM 558 N VAL A 40 1.263 0.624 -2.963 1.00 0.00 N ATOM 559 CA VAL A 40 1.579 -0.785 -2.802 1.00 0.00 C ATOM 560 C VAL A 40 3.089 -0.945 -2.611 1.00 0.00 C ATOM 561 O VAL A 40 3.866 -0.676 -3.526 1.00 0.00 O ATOM 562 CB VAL A 40 1.039 -1.582 -3.991 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.478 -3.046 -3.914 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.485 -1.470 -4.078 1.00 0.00 C ATOM 0 H VAL A 40 1.443 0.998 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 40 1.094 -1.186 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 40 1.459 -1.154 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.081 -3.590 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.567 -3.100 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.100 -3.491 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.844 -2.045 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.931 -1.861 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.767 -0.424 -4.201 1.00 0.00 H new ATOM 574 N HIS A 41 3.459 -1.384 -1.417 1.00 0.00 N ATOM 575 CA HIS A 41 4.862 -1.584 -1.095 1.00 0.00 C ATOM 576 C HIS A 41 5.189 -3.078 -1.131 1.00 0.00 C ATOM 577 O HIS A 41 5.506 -3.672 -0.101 1.00 0.00 O ATOM 578 CB HIS A 41 5.210 -0.932 0.245 1.00 0.00 C ATOM 579 CG HIS A 41 6.641 -1.142 0.677 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.721 -0.680 -0.056 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.159 -1.768 1.772 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.833 -1.019 0.579 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.483 -1.693 1.711 1.00 0.00 N ATOM 0 H HIS A 41 2.812 -1.607 -0.661 1.00 0.00 H new ATOM 0 HA HIS A 41 5.484 -1.094 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.015 0.138 0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.547 -1.329 1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.589 -2.244 2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.840 -0.800 0.256 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.132 -2.077 2.398 1.00 0.00 H new ATOM 591 N PHE A 42 5.101 -3.642 -2.326 1.00 0.00 N ATOM 592 CA PHE A 42 5.384 -5.055 -2.510 1.00 0.00 C ATOM 593 C PHE A 42 6.592 -5.485 -1.675 1.00 0.00 C ATOM 594 O PHE A 42 7.676 -4.919 -1.808 1.00 0.00 O ATOM 595 CB PHE A 42 5.704 -5.259 -3.992 1.00 0.00 C ATOM 596 CG PHE A 42 4.471 -5.487 -4.869 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.483 -6.321 -4.448 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.364 -4.857 -6.069 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.339 -6.533 -5.262 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.220 -5.069 -6.883 1.00 0.00 C ATOM 601 CZ PHE A 42 2.232 -5.903 -6.463 1.00 0.00 C ATOM 0 H PHE A 42 4.837 -3.146 -3.177 1.00 0.00 H new ATOM 0 HA PHE A 42 4.527 -5.650 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.243 -4.386 -4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.373 -6.113 -4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.568 -6.822 -3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.149 -4.195 -6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.554 -7.195 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.135 -4.568 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.362 -6.065 -7.083 1.00 0.00 H new ATOM 611 N LEU A 43 6.365 -6.483 -0.834 1.00 0.00 N ATOM 612 CA LEU A 43 7.422 -6.996 0.022 1.00 0.00 C ATOM 613 C LEU A 43 7.872 -8.364 -0.495 1.00 0.00 C ATOM 614 O LEU A 43 9.023 -8.754 -0.307 1.00 0.00 O ATOM 615 CB LEU A 43 6.969 -7.009 1.483 1.00 0.00 C ATOM 616 CG LEU A 43 7.084 -5.680 2.233 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.593 -5.821 3.675 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.511 -5.134 2.164 1.00 0.00 C ATOM 0 H LEU A 43 5.465 -6.950 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 43 8.292 -6.340 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.929 -7.334 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.555 -7.757 2.018 1.00 0.00 H new ATOM 0 HG LEU A 43 6.437 -4.953 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.685 -4.863 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.549 -6.133 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.195 -6.568 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.566 -4.189 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.197 -5.851 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.789 -4.973 1.122 1.00 0.00 H new ATOM 630 N ASP A 44 6.941 -9.055 -1.135 1.00 0.00 N ATOM 631 CA ASP A 44 7.227 -10.371 -1.680 1.00 0.00 C ATOM 632 C ASP A 44 6.858 -10.395 -3.165 1.00 0.00 C ATOM 633 O ASP A 44 5.787 -9.927 -3.550 1.00 0.00 O ATOM 634 CB ASP A 44 6.407 -11.451 -0.972 1.00 0.00 C ATOM 635 CG ASP A 44 6.511 -11.445 0.554 1.00 0.00 C ATOM 636 OD1 ASP A 44 7.253 -10.580 1.069 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.847 -12.305 1.172 1.00 0.00 O ATOM 0 H ASP A 44 5.987 -8.728 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 44 8.289 -10.572 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.360 -11.332 -1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.725 -12.427 -1.339 1.00 0.00 H new ATOM 642 N PRO A 45 7.789 -10.959 -3.980 1.00 0.00 N ATOM 643 CA PRO A 45 7.573 -11.050 -5.414 1.00 0.00 C ATOM 644 C PRO A 45 6.564 -12.151 -5.747 1.00 0.00 C ATOM 645 O PRO A 45 5.826 -12.046 -6.725 1.00 0.00 O ATOM 646 CB PRO A 45 8.949 -11.308 -6.004 1.00 0.00 C ATOM 647 CG PRO A 45 9.808 -11.812 -4.856 1.00 0.00 C ATOM 648 CD PRO A 45 9.068 -11.523 -3.559 1.00 0.00 C ATOM 0 HA PRO A 45 7.139 -10.142 -5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.898 -12.044 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.367 -10.397 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.994 -12.881 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.779 -11.317 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.927 -12.431 -2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.623 -10.823 -2.934 1.00 0.00 H new ATOM 656 N HIS A 46 6.564 -13.181 -4.914 1.00 0.00 N ATOM 657 CA HIS A 46 5.658 -14.301 -5.108 1.00 0.00 C ATOM 658 C HIS A 46 4.384 -14.078 -4.290 1.00 0.00 C ATOM 659 O HIS A 46 3.714 -15.034 -3.905 1.00 0.00 O ATOM 660 CB HIS A 46 6.351 -15.624 -4.778 1.00 0.00 C ATOM 661 CG HIS A 46 7.409 -16.029 -5.776 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.201 -17.152 -5.615 1.00 0.00 N ATOM 663 CD2 HIS A 46 7.796 -15.450 -6.949 1.00 0.00 C ATOM 664 CE1 HIS A 46 9.025 -17.236 -6.649 1.00 0.00 C ATOM 665 NE2 HIS A 46 8.772 -16.179 -7.475 1.00 0.00 N ATOM 0 H HIS A 46 7.177 -13.264 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 46 5.368 -14.362 -6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.808 -15.547 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.600 -16.412 -4.721 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.379 -14.551 -7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.766 -18.005 -6.810 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.254 -15.982 -8.352 1.00 0.00 H new ATOM 673 N CYS A 47 4.089 -12.809 -4.048 1.00 0.00 N ATOM 674 CA CYS A 47 2.908 -12.448 -3.282 1.00 0.00 C ATOM 675 C CYS A 47 1.673 -12.916 -4.055 1.00 0.00 C ATOM 676 O CYS A 47 1.549 -14.096 -4.378 1.00 0.00 O ATOM 677 CB CYS A 47 2.862 -10.947 -2.987 1.00 0.00 C ATOM 678 SG CYS A 47 3.121 -9.998 -4.530 1.00 0.00 S ATOM 0 H CYS A 47 4.647 -12.018 -4.369 1.00 0.00 H new ATOM 0 HA CYS A 47 2.936 -12.942 -2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.901 -10.684 -2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.629 -10.688 -2.258 1.00 0.00 H new ATOM 0 HG CYS A 47 4.378 -9.684 -4.641 1.00 0.00 H new ATOM 684 N SER A 48 0.792 -11.965 -4.330 1.00 0.00 N ATOM 685 CA SER A 48 -0.429 -12.265 -5.059 1.00 0.00 C ATOM 686 C SER A 48 -0.768 -11.114 -6.007 1.00 0.00 C ATOM 687 O SER A 48 -0.866 -11.310 -7.218 1.00 0.00 O ATOM 688 CB SER A 48 -1.593 -12.525 -4.101 1.00 0.00 C ATOM 689 OG SER A 48 -1.247 -12.235 -2.749 1.00 0.00 O ATOM 0 H SER A 48 0.899 -10.987 -4.061 1.00 0.00 H new ATOM 0 HA SER A 48 -0.265 -13.171 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.448 -11.916 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.902 -13.567 -4.181 1.00 0.00 H new ATOM 0 HG SER A 48 -2.017 -12.412 -2.169 1.00 0.00 H new ATOM 695 N ALA A 49 -0.939 -9.938 -5.422 1.00 0.00 N ATOM 696 CA ALA A 49 -1.266 -8.754 -6.199 1.00 0.00 C ATOM 697 C ALA A 49 -0.288 -8.633 -7.370 1.00 0.00 C ATOM 698 O ALA A 49 -0.703 -8.445 -8.512 1.00 0.00 O ATOM 699 CB ALA A 49 -1.243 -7.524 -5.291 1.00 0.00 C ATOM 0 H ALA A 49 -0.857 -9.779 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.271 -8.833 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.488 -6.636 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.975 -7.647 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.249 -7.410 -4.858 1.00 0.00 H new ATOM 705 N SER A 50 0.991 -8.746 -7.045 1.00 0.00 N ATOM 706 CA SER A 50 2.031 -8.651 -8.056 1.00 0.00 C ATOM 707 C SER A 50 1.824 -9.728 -9.122 1.00 0.00 C ATOM 708 O SER A 50 1.792 -9.428 -10.315 1.00 0.00 O ATOM 709 CB SER A 50 3.421 -8.785 -7.430 1.00 0.00 C ATOM 710 OG SER A 50 4.439 -8.251 -8.272 1.00 0.00 O ATOM 0 H SER A 50 1.331 -8.902 -6.096 1.00 0.00 H new ATOM 0 HA SER A 50 1.965 -7.668 -8.523 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.437 -8.270 -6.470 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.629 -9.836 -7.231 1.00 0.00 H new ATOM 0 HG SER A 50 5.311 -8.354 -7.837 1.00 0.00 H new ATOM 716 N LEU A 51 1.688 -10.961 -8.655 1.00 0.00 N ATOM 717 CA LEU A 51 1.485 -12.084 -9.554 1.00 0.00 C ATOM 718 C LEU A 51 0.297 -11.788 -10.472 1.00 0.00 C ATOM 719 O LEU A 51 0.248 -12.267 -11.604 1.00 0.00 O ATOM 720 CB LEU A 51 1.341 -13.385 -8.762 1.00 0.00 C ATOM 721 CG LEU A 51 2.554 -13.798 -7.925 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.158 -14.811 -6.849 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.683 -14.319 -8.816 1.00 0.00 C ATOM 0 H LEU A 51 1.714 -11.207 -7.665 1.00 0.00 H new ATOM 0 HA LEU A 51 2.356 -12.222 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.482 -13.290 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.116 -14.190 -9.461 1.00 0.00 H new ATOM 0 HG LEU A 51 2.932 -12.914 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.038 -15.088 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.412 -14.368 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.741 -15.700 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.533 -14.606 -8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.334 -15.186 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.988 -13.537 -9.511 1.00 0.00 H new ATOM 735 N ALA A 52 -0.632 -11.001 -9.950 1.00 0.00 N ATOM 736 CA ALA A 52 -1.817 -10.636 -10.708 1.00 0.00 C ATOM 737 C ALA A 52 -1.400 -9.824 -11.936 1.00 0.00 C ATOM 738 O ALA A 52 -1.685 -10.213 -13.067 1.00 0.00 O ATOM 739 CB ALA A 52 -2.786 -9.871 -9.804 1.00 0.00 C ATOM 0 H ALA A 52 -0.588 -10.606 -9.011 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.336 -11.527 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.675 -9.597 -10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.073 -10.502 -8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.301 -8.969 -9.432 1.00 0.00 H new ATOM 745 N GLY A 53 -0.734 -8.710 -11.671 1.00 0.00 N ATOM 746 CA GLY A 53 -0.276 -7.839 -12.740 1.00 0.00 C ATOM 747 C GLY A 53 -0.221 -6.382 -12.276 1.00 0.00 C ATOM 748 O GLY A 53 -0.658 -5.482 -12.991 1.00 0.00 O ATOM 0 H GLY A 53 -0.500 -8.390 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.712 -8.156 -13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.944 -7.926 -13.597 1.00 0.00 H new ATOM 752 N ALA A 54 0.320 -6.196 -11.081 1.00 0.00 N ATOM 753 CA ALA A 54 0.438 -4.864 -10.512 1.00 0.00 C ATOM 754 C ALA A 54 1.914 -4.467 -10.455 1.00 0.00 C ATOM 755 O ALA A 54 2.772 -5.178 -10.976 1.00 0.00 O ATOM 756 CB ALA A 54 -0.227 -4.836 -9.135 1.00 0.00 C ATOM 0 H ALA A 54 0.682 -6.945 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.076 -4.133 -11.137 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.138 -3.837 -8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.281 -5.096 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.264 -5.555 -8.479 1.00 0.00 H new ATOM 762 N LYS A 55 2.165 -3.333 -9.818 1.00 0.00 N ATOM 763 CA LYS A 55 3.523 -2.833 -9.686 1.00 0.00 C ATOM 764 C LYS A 55 3.682 -2.155 -8.324 1.00 0.00 C ATOM 765 O LYS A 55 2.791 -2.233 -7.480 1.00 0.00 O ATOM 766 CB LYS A 55 3.878 -1.928 -10.868 1.00 0.00 C ATOM 767 CG LYS A 55 4.142 -2.753 -12.130 1.00 0.00 C ATOM 768 CD LYS A 55 5.242 -2.116 -12.981 1.00 0.00 C ATOM 769 CE LYS A 55 5.347 -2.803 -14.345 1.00 0.00 C ATOM 770 NZ LYS A 55 6.554 -2.341 -15.066 1.00 0.00 N ATOM 0 H LYS A 55 1.451 -2.746 -9.387 1.00 0.00 H new ATOM 0 HA LYS A 55 4.237 -3.656 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.064 -1.227 -11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.760 -1.336 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.433 -3.766 -11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.226 -2.833 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.032 -1.055 -13.119 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.197 -2.186 -12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.387 -3.884 -14.212 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.458 -2.587 -14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.610 -2.817 -15.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.500 -1.312 -15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.401 -2.569 -14.507 1.00 0.00 H new ATOM 784 N GLU A 56 4.824 -1.505 -8.152 1.00 0.00 N ATOM 785 CA GLU A 56 5.112 -0.814 -6.906 1.00 0.00 C ATOM 786 C GLU A 56 4.608 0.629 -6.971 1.00 0.00 C ATOM 787 O GLU A 56 4.336 1.147 -8.053 1.00 0.00 O ATOM 788 CB GLU A 56 6.607 -0.859 -6.587 1.00 0.00 C ATOM 789 CG GLU A 56 6.926 -1.994 -5.611 1.00 0.00 C ATOM 790 CD GLU A 56 7.407 -1.442 -4.267 1.00 0.00 C ATOM 791 OE1 GLU A 56 8.160 -0.444 -4.300 1.00 0.00 O ATOM 792 OE2 GLU A 56 7.011 -2.029 -3.238 1.00 0.00 O ATOM 0 H GLU A 56 5.561 -1.442 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 56 4.587 -1.326 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.175 -0.996 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.920 0.093 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.038 -2.608 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.692 -2.641 -6.038 1.00 0.00 H new ATOM 799 N GLY A 57 4.500 1.237 -5.800 1.00 0.00 N ATOM 800 CA GLY A 57 4.034 2.611 -5.710 1.00 0.00 C ATOM 801 C GLY A 57 2.647 2.761 -6.338 1.00 0.00 C ATOM 802 O GLY A 57 2.208 3.874 -6.624 1.00 0.00 O ATOM 0 H GLY A 57 4.727 0.804 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.999 2.919 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.739 3.272 -6.214 1.00 0.00 H new ATOM 806 N ASP A 58 1.995 1.625 -6.535 1.00 0.00 N ATOM 807 CA ASP A 58 0.667 1.616 -7.124 1.00 0.00 C ATOM 808 C ASP A 58 -0.326 2.241 -6.141 1.00 0.00 C ATOM 809 O ASP A 58 -0.490 1.754 -5.024 1.00 0.00 O ATOM 810 CB ASP A 58 0.204 0.188 -7.418 1.00 0.00 C ATOM 811 CG ASP A 58 1.004 -0.540 -8.500 1.00 0.00 C ATOM 812 OD1 ASP A 58 2.075 -0.011 -8.868 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.526 -1.610 -8.936 1.00 0.00 O ATOM 0 H ASP A 58 2.362 0.704 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 58 0.708 2.181 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.256 -0.392 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.843 0.216 -7.718 1.00 0.00 H new ATOM 818 N TYR A 59 -0.963 3.311 -6.594 1.00 0.00 N ATOM 819 CA TYR A 59 -1.936 4.008 -5.769 1.00 0.00 C ATOM 820 C TYR A 59 -3.351 3.491 -6.035 1.00 0.00 C ATOM 821 O TYR A 59 -3.932 3.772 -7.082 1.00 0.00 O ATOM 822 CB TYR A 59 -1.858 5.480 -6.178 1.00 0.00 C ATOM 823 CG TYR A 59 -0.466 6.096 -6.024 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.475 5.933 -7.020 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.151 6.815 -4.889 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.785 6.513 -6.875 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.159 7.395 -4.744 1.00 0.00 C ATOM 828 CZ TYR A 59 2.062 7.215 -5.744 1.00 0.00 C ATOM 829 OH TYR A 59 3.300 7.763 -5.607 1.00 0.00 O ATOM 0 H TYR A 59 -0.825 3.712 -7.521 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.721 3.856 -4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.173 5.575 -7.217 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.565 6.051 -5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.229 5.370 -7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.887 6.943 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.531 6.393 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.418 7.960 -3.861 1.00 0.00 H new ATOM 0 HH TYR A 59 3.355 8.236 -4.751 1.00 0.00 H new ATOM 839 N ILE A 60 -3.865 2.744 -5.069 1.00 0.00 N ATOM 840 CA ILE A 60 -5.201 2.186 -5.186 1.00 0.00 C ATOM 841 C ILE A 60 -6.222 3.324 -5.242 1.00 0.00 C ATOM 842 O ILE A 60 -6.132 4.281 -4.475 1.00 0.00 O ATOM 843 CB ILE A 60 -5.462 1.181 -4.062 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.410 0.069 -4.065 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.885 0.624 -4.143 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.893 -0.201 -2.651 1.00 0.00 C ATOM 0 H ILE A 60 -3.380 2.512 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.299 1.624 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.375 1.704 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.841 -0.843 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.579 0.351 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.044 -0.088 -3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.601 1.441 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.025 0.121 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.147 -0.995 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.441 0.706 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.722 -0.507 -2.013 1.00 0.00 H new ATOM 858 N VAL A 61 -7.170 3.182 -6.157 1.00 0.00 N ATOM 859 CA VAL A 61 -8.206 4.186 -6.323 1.00 0.00 C ATOM 860 C VAL A 61 -9.557 3.590 -5.923 1.00 0.00 C ATOM 861 O VAL A 61 -10.400 4.280 -5.351 1.00 0.00 O ATOM 862 CB VAL A 61 -8.191 4.722 -7.756 1.00 0.00 C ATOM 863 CG1 VAL A 61 -7.010 5.670 -7.974 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.169 3.577 -8.770 1.00 0.00 C ATOM 0 H VAL A 61 -7.242 2.386 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.020 5.038 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.109 5.289 -7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.022 6.037 -9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.088 6.512 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.077 5.137 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.159 3.986 -9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.277 2.971 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.056 2.957 -8.638 1.00 0.00 H new ATOM 874 N SER A 62 -9.721 2.313 -6.238 1.00 0.00 N ATOM 875 CA SER A 62 -10.955 1.616 -5.919 1.00 0.00 C ATOM 876 C SER A 62 -10.690 0.115 -5.789 1.00 0.00 C ATOM 877 O SER A 62 -9.707 -0.394 -6.326 1.00 0.00 O ATOM 878 CB SER A 62 -12.026 1.876 -6.980 1.00 0.00 C ATOM 879 OG SER A 62 -12.549 3.199 -6.898 1.00 0.00 O ATOM 0 H SER A 62 -9.019 1.743 -6.711 1.00 0.00 H new ATOM 0 HA SER A 62 -11.326 1.997 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.601 1.715 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.837 1.158 -6.860 1.00 0.00 H new ATOM 0 HG SER A 62 -13.320 3.209 -6.293 1.00 0.00 H new ATOM 885 N ILE A 63 -11.584 -0.552 -5.074 1.00 0.00 N ATOM 886 CA ILE A 63 -11.458 -1.985 -4.867 1.00 0.00 C ATOM 887 C ILE A 63 -12.826 -2.644 -5.052 1.00 0.00 C ATOM 888 O ILE A 63 -13.674 -2.582 -4.164 1.00 0.00 O ATOM 889 CB ILE A 63 -10.813 -2.276 -3.511 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.401 -1.693 -3.438 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.831 -3.775 -3.206 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.818 -1.841 -2.032 1.00 0.00 C ATOM 0 H ILE A 63 -12.398 -0.127 -4.631 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.791 -2.420 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.404 -1.783 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.757 -2.199 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.424 -0.640 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.367 -3.955 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.861 -4.130 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.278 -4.310 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.814 -1.418 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.451 -1.313 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.774 -2.897 -1.766 1.00 0.00 H new ATOM 904 N GLN A 64 -12.998 -3.261 -6.212 1.00 0.00 N ATOM 905 CA GLN A 64 -14.249 -3.931 -6.525 1.00 0.00 C ATOM 906 C GLN A 64 -15.335 -2.903 -6.850 1.00 0.00 C ATOM 907 O GLN A 64 -16.505 -3.256 -6.996 1.00 0.00 O ATOM 908 CB GLN A 64 -14.684 -4.844 -5.377 1.00 0.00 C ATOM 909 CG GLN A 64 -14.773 -6.300 -5.839 1.00 0.00 C ATOM 910 CD GLN A 64 -15.838 -6.467 -6.925 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.829 -5.757 -6.974 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.578 -7.442 -7.792 1.00 0.00 N ATOM 0 H GLN A 64 -12.292 -3.311 -6.946 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.094 -4.556 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.974 -4.763 -4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.652 -4.520 -4.996 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.805 -6.624 -6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.011 -6.941 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.729 -7.999 -7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.227 -7.632 -8.555 1.00 0.00 H new ATOM 921 N GLY A 65 -14.910 -1.653 -6.953 1.00 0.00 N ATOM 922 CA GLY A 65 -15.832 -0.572 -7.258 1.00 0.00 C ATOM 923 C GLY A 65 -15.856 0.462 -6.130 1.00 0.00 C ATOM 924 O GLY A 65 -16.237 1.612 -6.345 1.00 0.00 O ATOM 0 H GLY A 65 -13.939 -1.364 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.538 -0.091 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.834 -0.975 -7.408 1.00 0.00 H new ATOM 928 N VAL A 66 -15.445 0.016 -4.952 1.00 0.00 N ATOM 929 CA VAL A 66 -15.414 0.888 -3.791 1.00 0.00 C ATOM 930 C VAL A 66 -14.412 2.018 -4.033 1.00 0.00 C ATOM 931 O VAL A 66 -13.477 1.866 -4.818 1.00 0.00 O ATOM 932 CB VAL A 66 -15.105 0.074 -2.533 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.049 0.974 -1.297 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.123 -1.053 -2.345 1.00 0.00 C ATOM 0 H VAL A 66 -15.131 -0.938 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.390 1.348 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.122 -0.380 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.828 0.370 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.269 1.724 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.010 1.470 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.880 -1.616 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.122 -0.628 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.093 -1.718 -3.208 1.00 0.00 H new ATOM 944 N ASP A 67 -14.640 3.127 -3.344 1.00 0.00 N ATOM 945 CA ASP A 67 -13.769 4.282 -3.474 1.00 0.00 C ATOM 946 C ASP A 67 -12.598 4.145 -2.499 1.00 0.00 C ATOM 947 O ASP A 67 -12.800 4.057 -1.289 1.00 0.00 O ATOM 948 CB ASP A 67 -14.514 5.575 -3.139 1.00 0.00 C ATOM 949 CG ASP A 67 -14.530 6.621 -4.255 1.00 0.00 C ATOM 950 OD1 ASP A 67 -14.773 6.213 -5.412 1.00 0.00 O ATOM 951 OD2 ASP A 67 -14.299 7.805 -3.927 1.00 0.00 O ATOM 0 H ASP A 67 -15.416 3.250 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.419 4.325 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.543 5.327 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.060 6.019 -2.253 1.00 0.00 H new ATOM 956 N CYS A 68 -11.399 4.130 -3.062 1.00 0.00 N ATOM 957 CA CYS A 68 -10.195 4.004 -2.258 1.00 0.00 C ATOM 958 C CYS A 68 -9.187 5.052 -2.734 1.00 0.00 C ATOM 959 O CYS A 68 -8.045 4.722 -3.050 1.00 0.00 O ATOM 960 CB CYS A 68 -9.619 2.588 -2.319 1.00 0.00 C ATOM 961 SG CYS A 68 -10.634 1.454 -1.303 1.00 0.00 S ATOM 0 H CYS A 68 -11.235 4.203 -4.066 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.435 4.182 -1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.595 2.241 -3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.590 2.589 -1.959 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.762 0.316 -1.919 1.00 0.00 H new ATOM 967 N LYS A 69 -9.646 6.294 -2.771 1.00 0.00 N ATOM 968 CA LYS A 69 -8.799 7.393 -3.204 1.00 0.00 C ATOM 969 C LYS A 69 -8.478 8.286 -2.004 1.00 0.00 C ATOM 970 O LYS A 69 -7.399 8.873 -1.934 1.00 0.00 O ATOM 971 CB LYS A 69 -9.446 8.140 -4.372 1.00 0.00 C ATOM 972 CG LYS A 69 -8.391 8.594 -5.384 1.00 0.00 C ATOM 973 CD LYS A 69 -8.898 9.777 -6.211 1.00 0.00 C ATOM 974 CE LYS A 69 -10.015 9.342 -7.162 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.574 9.466 -8.570 1.00 0.00 N ATOM 0 H LYS A 69 -10.594 6.564 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.850 7.016 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.173 7.494 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.992 9.006 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.478 8.877 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.136 7.766 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.265 10.559 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.075 10.205 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.298 8.310 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.901 9.955 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.344 9.167 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.326 10.456 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.742 8.862 -8.728 1.00 0.00 H new ATOM 989 N TRP A 70 -9.434 8.362 -1.090 1.00 0.00 N ATOM 990 CA TRP A 70 -9.266 9.174 0.103 1.00 0.00 C ATOM 991 C TRP A 70 -8.931 8.240 1.267 1.00 0.00 C ATOM 992 O TRP A 70 -8.147 8.594 2.146 1.00 0.00 O ATOM 993 CB TRP A 70 -10.506 10.032 0.361 1.00 0.00 C ATOM 994 CG TRP A 70 -11.089 10.679 -0.897 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.944 10.143 -1.779 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.824 12.012 -1.380 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.247 11.031 -2.792 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.544 12.204 -2.541 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.001 13.024 -0.853 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.516 13.396 -3.273 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.984 14.210 -1.597 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.704 14.418 -2.767 1.00 0.00 C ATOM 0 H TRP A 70 -10.328 7.874 -1.152 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.445 9.880 -0.023 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.273 9.413 0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.251 10.815 1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.345 9.143 -1.707 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.872 10.858 -3.580 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.428 12.896 0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.090 13.521 -4.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.368 15.020 -1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.638 15.364 -3.284 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.543 7.065 1.236 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.320 6.078 2.278 1.00 0.00 C ATOM 1015 C LEU A 71 -7.829 6.031 2.620 1.00 0.00 C ATOM 1016 O LEU A 71 -6.988 6.377 1.792 1.00 0.00 O ATOM 1017 CB LEU A 71 -9.899 4.723 1.866 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.398 4.700 1.559 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -11.938 3.269 1.576 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.167 5.615 2.513 1.00 0.00 C ATOM 0 H LEU A 71 -10.193 6.775 0.506 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.848 6.361 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.362 4.374 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.701 4.008 2.664 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.547 5.088 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.005 3.280 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.418 2.675 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.776 2.831 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.230 5.580 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.016 5.280 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.805 6.638 2.408 1.00 0.00 H new ATOM 1032 N THR A 72 -7.548 5.601 3.841 1.00 0.00 N ATOM 1033 CA THR A 72 -6.173 5.504 4.303 1.00 0.00 C ATOM 1034 C THR A 72 -5.664 4.068 4.165 1.00 0.00 C ATOM 1035 O THR A 72 -6.060 3.350 3.248 1.00 0.00 O ATOM 1036 CB THR A 72 -6.118 6.034 5.737 1.00 0.00 C ATOM 1037 OG1 THR A 72 -6.646 4.968 6.522 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.094 7.189 5.973 1.00 0.00 C ATOM 0 H THR A 72 -8.249 5.316 4.525 1.00 0.00 H new ATOM 0 HA THR A 72 -5.506 6.111 3.691 1.00 0.00 H new ATOM 0 HB THR A 72 -5.104 6.364 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.574 5.168 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.014 7.527 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.852 8.013 5.302 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.112 6.850 5.780 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.794 3.692 5.091 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.227 2.354 5.085 1.00 0.00 C ATOM 1048 C VAL A 73 -5.173 1.400 5.817 1.00 0.00 C ATOM 1049 O VAL A 73 -5.495 0.328 5.308 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.820 2.380 5.686 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.311 0.961 5.950 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.853 3.151 4.786 1.00 0.00 C ATOM 0 H VAL A 73 -4.468 4.290 5.850 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.123 1.987 4.064 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.874 2.900 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.309 1.007 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.980 0.458 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.281 0.405 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.861 3.154 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.806 2.672 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.202 4.177 4.671 1.00 0.00 H new ATOM 1062 N SER A 74 -5.591 1.825 7.000 1.00 0.00 N ATOM 1063 CA SER A 74 -6.494 1.022 7.807 1.00 0.00 C ATOM 1064 C SER A 74 -7.755 0.688 7.007 1.00 0.00 C ATOM 1065 O SER A 74 -8.121 -0.479 6.877 1.00 0.00 O ATOM 1066 CB SER A 74 -6.863 1.744 9.104 1.00 0.00 C ATOM 1067 OG SER A 74 -7.214 0.833 10.142 1.00 0.00 O ATOM 0 H SER A 74 -5.321 2.715 7.419 1.00 0.00 H new ATOM 0 HA SER A 74 -5.984 0.096 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.023 2.357 9.429 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.698 2.420 8.918 1.00 0.00 H new ATOM 0 HG SER A 74 -7.441 1.333 10.953 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.384 1.734 6.492 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.596 1.567 5.709 1.00 0.00 C ATOM 1075 C GLU A 75 -9.389 0.501 4.631 1.00 0.00 C ATOM 1076 O GLU A 75 -9.974 -0.579 4.701 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.036 2.895 5.089 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.001 3.639 6.015 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.366 4.925 6.548 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -9.649 4.824 7.567 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -10.613 5.980 5.925 1.00 0.00 O ATOM 0 H GLU A 75 -8.077 2.700 6.602 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.392 1.233 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.162 3.516 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.517 2.710 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.917 3.878 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.281 2.995 6.848 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.554 0.841 3.661 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.262 -0.074 2.570 1.00 0.00 C ATOM 1090 C VAL A 76 -8.023 -1.475 3.135 1.00 0.00 C ATOM 1091 O VAL A 76 -8.730 -2.419 2.784 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.081 0.450 1.750 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.607 -0.598 0.741 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.438 1.763 1.050 1.00 0.00 C ATOM 0 H VAL A 76 -8.070 1.737 3.607 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.110 -0.139 1.889 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.259 0.650 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.767 -0.201 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.293 -1.497 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.423 -0.844 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.581 2.113 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.283 1.600 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.705 2.512 1.796 1.00 0.00 H new ATOM 1104 N MET A 77 -7.025 -1.567 4.001 1.00 0.00 N ATOM 1105 CA MET A 77 -6.684 -2.837 4.618 1.00 0.00 C ATOM 1106 C MET A 77 -7.943 -3.635 4.962 1.00 0.00 C ATOM 1107 O MET A 77 -8.013 -4.835 4.699 1.00 0.00 O ATOM 1108 CB MET A 77 -5.876 -2.585 5.893 1.00 0.00 C ATOM 1109 CG MET A 77 -4.378 -2.765 5.637 1.00 0.00 C ATOM 1110 SD MET A 77 -4.050 -4.429 5.081 1.00 0.00 S ATOM 1111 CE MET A 77 -2.659 -4.128 4.003 1.00 0.00 C ATOM 0 H MET A 77 -6.441 -0.782 4.290 1.00 0.00 H new ATOM 0 HA MET A 77 -6.091 -3.416 3.910 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.068 -1.575 6.256 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.200 -3.272 6.675 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.040 -2.049 4.888 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.818 -2.560 6.549 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.078 -5.044 3.894 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.019 -3.808 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.029 -3.348 4.431 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.907 -2.937 5.544 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.160 -3.566 5.926 1.00 0.00 C ATOM 1123 C LYS A 78 -10.982 -3.861 4.669 1.00 0.00 C ATOM 1124 O LYS A 78 -11.584 -4.927 4.553 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.898 -2.708 6.955 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.617 -3.196 8.378 1.00 0.00 C ATOM 1127 CD LYS A 78 -11.310 -2.304 9.410 1.00 0.00 C ATOM 1128 CE LYS A 78 -12.300 -3.110 10.254 1.00 0.00 C ATOM 1129 NZ LYS A 78 -13.333 -2.220 10.831 1.00 0.00 N ATOM 0 H LYS A 78 -8.846 -1.942 5.760 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.973 -4.521 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.588 -1.668 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.970 -2.741 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.963 -4.224 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.542 -3.201 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.564 -1.844 10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.834 -1.494 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.773 -3.875 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.769 -3.627 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.997 -2.782 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.878 -1.506 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.851 -1.746 10.064 1.00 0.00 H new ATOM 1143 N LEU A 79 -10.979 -2.897 3.760 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.717 -3.040 2.516 1.00 0.00 C ATOM 1145 C LEU A 79 -11.176 -4.245 1.743 1.00 0.00 C ATOM 1146 O LEU A 79 -11.894 -4.850 0.949 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.684 -1.734 1.720 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.043 -1.175 1.292 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.234 0.254 1.806 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.221 -1.267 -0.224 1.00 0.00 C ATOM 0 H LEU A 79 -10.478 -2.014 3.860 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.770 -3.236 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.175 -0.979 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.080 -1.891 0.826 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.822 -1.788 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.207 0.628 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.181 0.259 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.450 0.894 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.195 -0.863 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.436 -0.694 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.159 -2.310 -0.535 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.915 -4.557 2.003 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.270 -5.678 1.341 1.00 0.00 C ATOM 1164 C LEU A 80 -9.541 -6.958 2.135 1.00 0.00 C ATOM 1165 O LEU A 80 -9.908 -7.982 1.562 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.782 -5.391 1.128 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.379 -4.953 -0.282 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.929 -4.468 -0.312 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.631 -6.071 -1.296 1.00 0.00 C ATOM 0 H LEU A 80 -9.323 -4.053 2.663 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.689 -5.824 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.478 -4.614 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.219 -6.289 1.383 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.006 -4.109 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.668 -4.163 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.815 -3.620 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.269 -5.275 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.336 -5.734 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.046 -6.949 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.690 -6.327 -1.299 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.351 -6.856 3.442 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.570 -7.993 4.321 1.00 0.00 C ATOM 1183 C LYS A 81 -10.983 -8.537 4.101 1.00 0.00 C ATOM 1184 O LYS A 81 -11.166 -9.736 3.897 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.277 -7.612 5.773 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.770 -7.551 6.031 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.462 -6.753 7.300 1.00 0.00 C ATOM 1188 CE LYS A 81 -6.101 -6.063 7.197 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.781 -5.356 8.457 1.00 0.00 N ATOM 0 H LYS A 81 -9.048 -6.004 3.914 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.877 -8.799 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.727 -6.645 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.735 -8.340 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.373 -8.562 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.270 -7.092 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.240 -6.007 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.472 -7.418 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.328 -6.801 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.107 -5.356 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.854 -4.893 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.509 -4.639 8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.755 -6.039 9.241 1.00 0.00 H new ATOM 1203 N SER A 82 -11.947 -7.628 4.149 1.00 0.00 N ATOM 1204 CA SER A 82 -13.338 -8.002 3.957 1.00 0.00 C ATOM 1205 C SER A 82 -13.465 -8.949 2.763 1.00 0.00 C ATOM 1206 O SER A 82 -14.164 -9.959 2.839 1.00 0.00 O ATOM 1207 CB SER A 82 -14.216 -6.766 3.751 1.00 0.00 C ATOM 1208 OG SER A 82 -15.599 -7.058 3.932 1.00 0.00 O ATOM 0 H SER A 82 -11.792 -6.634 4.318 1.00 0.00 H new ATOM 0 HA SER A 82 -13.683 -8.514 4.856 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.915 -5.987 4.451 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.057 -6.371 2.747 1.00 0.00 H new ATOM 0 HG SER A 82 -16.126 -6.243 3.794 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.780 -8.589 1.687 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.808 -9.395 0.478 1.00 0.00 C ATOM 1216 C PHE A 83 -11.709 -10.458 0.502 1.00 0.00 C ATOM 1217 O PHE A 83 -11.018 -10.665 -0.495 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.559 -8.447 -0.697 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.599 -7.333 -0.829 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.925 -7.632 -0.786 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.198 -6.043 -0.989 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.890 -6.597 -0.909 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.163 -5.009 -1.112 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.489 -5.308 -1.069 1.00 0.00 C ATOM 0 H PHE A 83 -12.203 -7.750 1.627 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.767 -9.905 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.572 -7.997 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.543 -9.026 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.244 -8.656 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.145 -5.805 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.943 -6.834 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.844 -3.985 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.223 -4.522 -1.162 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.581 -11.105 1.651 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.577 -12.142 1.818 1.00 0.00 C ATOM 1236 C GLY A 84 -11.009 -13.440 1.131 1.00 0.00 C ATOM 1237 O GLY A 84 -12.122 -13.917 1.344 1.00 0.00 O ATOM 0 H GLY A 84 -12.156 -10.931 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.628 -11.805 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.412 -12.326 2.880 1.00 0.00 H new ATOM 1241 N GLY A 85 -10.106 -13.973 0.322 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.380 -15.205 -0.397 1.00 0.00 C ATOM 1243 C GLY A 85 -11.491 -15.002 -1.429 1.00 0.00 C ATOM 1244 O GLY A 85 -12.236 -15.932 -1.735 1.00 0.00 O ATOM 0 H GLY A 85 -9.183 -13.574 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.474 -15.548 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.671 -15.984 0.307 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.567 -13.781 -1.937 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.575 -13.444 -2.929 1.00 0.00 C ATOM 1250 C GLU A 86 -11.950 -12.633 -4.066 1.00 0.00 C ATOM 1251 O GLU A 86 -11.349 -11.586 -3.829 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.740 -12.687 -2.290 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.397 -13.520 -1.187 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.919 -13.370 -1.219 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.386 -12.254 -0.906 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.581 -14.375 -1.557 1.00 0.00 O ATOM 0 H GLU A 86 -10.947 -13.013 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.972 -14.370 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.382 -11.745 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.479 -12.439 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.129 -14.569 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.018 -13.206 -0.215 1.00 0.00 H new ATOM 1263 N GLU A 87 -12.115 -13.146 -5.276 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.575 -12.482 -6.450 1.00 0.00 C ATOM 1265 C GLU A 87 -12.168 -11.078 -6.586 1.00 0.00 C ATOM 1266 O GLU A 87 -13.352 -10.927 -6.882 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.829 -13.309 -7.712 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.553 -13.441 -8.546 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.623 -14.663 -9.466 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.599 -15.786 -8.919 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.700 -14.444 -10.694 1.00 0.00 O ATOM 0 H GLU A 87 -12.615 -14.014 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.496 -12.389 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.191 -14.299 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.611 -12.839 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.409 -12.540 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.690 -13.527 -7.886 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.318 -10.087 -6.362 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.743 -8.701 -6.456 1.00 0.00 C ATOM 1280 C VAL A 88 -11.004 -8.022 -7.611 1.00 0.00 C ATOM 1281 O VAL A 88 -10.088 -8.602 -8.193 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.530 -7.997 -5.114 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.199 -8.770 -3.977 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.040 -7.790 -4.834 1.00 0.00 C ATOM 0 H VAL A 88 -10.337 -10.216 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.809 -8.642 -6.674 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.000 -7.015 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.032 -8.248 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.270 -8.843 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.772 -9.771 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.916 -7.288 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.537 -8.757 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.603 -7.178 -5.623 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.430 -6.804 -7.909 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.820 -6.040 -8.984 1.00 0.00 C ATOM 1296 C GLU A 89 -10.213 -4.746 -8.438 1.00 0.00 C ATOM 1297 O GLU A 89 -10.934 -3.793 -8.147 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.834 -5.746 -10.091 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.255 -6.078 -11.468 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.307 -5.894 -12.564 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.348 -6.580 -12.473 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.046 -5.071 -13.468 1.00 0.00 O ATOM 0 H GLU A 89 -12.190 -6.327 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.019 -6.638 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.740 -6.329 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.120 -4.695 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.398 -5.436 -11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.892 -7.106 -11.476 1.00 0.00 H new ATOM 1309 N MET A 90 -8.894 -4.753 -8.317 1.00 0.00 N ATOM 1310 CA MET A 90 -8.182 -3.592 -7.812 1.00 0.00 C ATOM 1311 C MET A 90 -7.743 -2.677 -8.956 1.00 0.00 C ATOM 1312 O MET A 90 -7.280 -3.151 -9.992 1.00 0.00 O ATOM 1313 CB MET A 90 -6.953 -4.049 -7.023 1.00 0.00 C ATOM 1314 CG MET A 90 -6.253 -2.861 -6.361 1.00 0.00 C ATOM 1315 SD MET A 90 -5.264 -3.424 -4.986 1.00 0.00 S ATOM 1316 CE MET A 90 -4.261 -4.650 -5.807 1.00 0.00 C ATOM 0 H MET A 90 -8.299 -5.545 -8.560 1.00 0.00 H new ATOM 0 HA MET A 90 -8.854 -3.032 -7.162 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.252 -4.769 -6.262 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.258 -4.560 -7.689 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.622 -2.349 -7.088 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.993 -2.139 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.011 -5.445 -5.105 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.814 -5.069 -6.648 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.344 -4.186 -6.171 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.905 -1.381 -8.731 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.531 -0.395 -9.730 1.00 0.00 C ATOM 1328 C LYS A 91 -6.461 0.532 -9.151 1.00 0.00 C ATOM 1329 O LYS A 91 -6.634 1.082 -8.064 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.770 0.341 -10.246 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.544 -0.521 -11.245 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.919 -0.901 -10.691 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.914 -1.158 -11.824 1.00 0.00 C ATOM 1334 NZ LYS A 91 -13.173 -1.724 -11.290 1.00 0.00 N ATOM 0 H LYS A 91 -8.290 -0.991 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.092 -0.882 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.417 0.603 -9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.471 1.275 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.663 0.021 -12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.976 -1.424 -11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.831 -1.792 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.291 -0.101 -10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.122 -0.227 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.478 -1.845 -12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.837 -1.892 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.972 -2.623 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.596 -1.055 -10.615 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.380 0.678 -9.902 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.282 1.530 -9.476 1.00 0.00 C ATOM 1350 C VAL A 92 -3.935 2.507 -10.601 1.00 0.00 C ATOM 1351 O VAL A 92 -4.186 2.227 -11.772 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.092 0.671 -9.042 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.501 -0.320 -7.950 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.475 -0.055 -10.239 1.00 0.00 C ATOM 0 H VAL A 92 -5.240 0.221 -10.803 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.572 2.123 -8.608 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.334 1.334 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.637 -0.918 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.872 0.227 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.285 -0.975 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.632 -0.658 -9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.223 -0.701 -10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.130 0.676 -10.970 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.363 3.635 -10.205 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.979 4.656 -11.165 1.00 0.00 C ATOM 1366 C VAL A 93 -1.535 5.084 -10.898 1.00 0.00 C ATOM 1367 O VAL A 93 -1.109 5.160 -9.746 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.968 5.822 -11.112 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.185 5.550 -11.998 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.392 6.117 -9.672 1.00 0.00 C ATOM 0 H VAL A 93 -3.156 3.864 -9.233 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.018 4.260 -12.180 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.463 6.707 -11.500 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.872 6.394 -11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.861 5.414 -13.030 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.691 4.648 -11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.095 6.950 -9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.869 5.235 -9.245 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.514 6.377 -9.080 1.00 0.00 H new ATOM 1380 N SER A 94 -0.821 5.353 -11.981 1.00 0.00 N ATOM 1381 CA SER A 94 0.567 5.771 -11.878 1.00 0.00 C ATOM 1382 C SER A 94 0.643 7.284 -11.659 1.00 0.00 C ATOM 1383 O SER A 94 -0.164 8.034 -12.205 1.00 0.00 O ATOM 1384 CB SER A 94 1.356 5.375 -13.127 1.00 0.00 C ATOM 1385 OG SER A 94 1.047 4.052 -13.557 1.00 0.00 O ATOM 0 H SER A 94 -1.178 5.290 -12.935 1.00 0.00 H new ATOM 0 HA SER A 94 1.014 5.264 -11.023 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.138 6.078 -13.931 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.424 5.449 -12.920 1.00 0.00 H new ATOM 0 HG SER A 94 1.570 3.838 -14.358 1.00 0.00 H new ATOM 1391 N LEU A 95 1.620 7.686 -10.860 1.00 0.00 N ATOM 1392 CA LEU A 95 1.811 9.095 -10.563 1.00 0.00 C ATOM 1393 C LEU A 95 2.925 9.652 -11.451 1.00 0.00 C ATOM 1394 O LEU A 95 4.018 9.091 -11.508 1.00 0.00 O ATOM 1395 CB LEU A 95 2.058 9.298 -9.066 1.00 0.00 C ATOM 1396 CG LEU A 95 2.529 10.692 -8.647 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.435 11.735 -8.883 1.00 0.00 C ATOM 1398 CD2 LEU A 95 3.019 10.693 -7.198 1.00 0.00 C ATOM 0 H LEU A 95 2.288 7.061 -10.409 1.00 0.00 H new ATOM 0 HA LEU A 95 0.907 9.659 -10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.135 9.072 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.802 8.571 -8.739 1.00 0.00 H new ATOM 0 HG LEU A 95 3.377 10.968 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.796 12.717 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.176 11.758 -9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.552 11.475 -8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.348 11.696 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.207 10.386 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.852 9.998 -7.095 1.00 0.00 H new ATOM 1410 N LEU A 96 2.610 10.750 -12.122 1.00 0.00 N ATOM 1411 CA LEU A 96 3.571 11.390 -13.004 1.00 0.00 C ATOM 1412 C LEU A 96 3.948 12.758 -12.434 1.00 0.00 C ATOM 1413 O LEU A 96 3.076 13.571 -12.133 1.00 0.00 O ATOM 1414 CB LEU A 96 3.030 11.447 -14.434 1.00 0.00 C ATOM 1415 CG LEU A 96 2.438 10.146 -14.980 1.00 0.00 C ATOM 1416 CD1 LEU A 96 3.376 8.966 -14.720 1.00 0.00 C ATOM 1417 CD2 LEU A 96 1.038 9.901 -14.415 1.00 0.00 C ATOM 0 H LEU A 96 1.702 11.213 -12.073 1.00 0.00 H new ATOM 0 HA LEU A 96 4.488 10.804 -13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.263 12.220 -14.480 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.838 11.761 -15.095 1.00 0.00 H new ATOM 0 HG LEU A 96 2.336 10.244 -16.061 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.932 8.054 -15.118 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.333 9.147 -15.210 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.533 8.855 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.640 8.970 -14.819 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.091 9.831 -13.329 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.383 10.727 -14.694 1.00 0.00 H new ATOM 1429 N ASP A 97 5.250 12.971 -12.304 1.00 0.00 N ATOM 1430 CA ASP A 97 5.753 14.227 -11.775 1.00 0.00 C ATOM 1431 C ASP A 97 7.253 14.330 -12.059 1.00 0.00 C ATOM 1432 O ASP A 97 7.939 13.315 -12.171 1.00 0.00 O ATOM 1433 CB ASP A 97 5.552 14.308 -10.261 1.00 0.00 C ATOM 1434 CG ASP A 97 5.127 15.681 -9.737 1.00 0.00 C ATOM 1435 OD1 ASP A 97 4.687 16.497 -10.575 1.00 0.00 O ATOM 1436 OD2 ASP A 97 5.253 15.884 -8.510 1.00 0.00 O ATOM 0 H ASP A 97 5.971 12.295 -12.556 1.00 0.00 H new ATOM 0 HA ASP A 97 5.205 15.038 -12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.799 13.576 -9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.482 14.021 -9.770 1.00 0.00 H new ATOM 1441 N SER A 98 7.719 15.566 -12.168 1.00 0.00 N ATOM 1442 CA SER A 98 9.125 15.815 -12.437 1.00 0.00 C ATOM 1443 C SER A 98 9.994 14.992 -11.483 1.00 0.00 C ATOM 1444 O SER A 98 9.501 14.468 -10.485 1.00 0.00 O ATOM 1445 CB SER A 98 9.456 17.303 -12.306 1.00 0.00 C ATOM 1446 OG SER A 98 8.463 18.126 -12.912 1.00 0.00 O ATOM 0 H SER A 98 7.147 16.406 -12.075 1.00 0.00 H new ATOM 0 HA SER A 98 9.336 15.513 -13.463 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.548 17.563 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.423 17.501 -12.768 1.00 0.00 H new ATOM 0 HG SER A 98 8.710 19.068 -12.806 1.00 0.00 H new ATOM 1452 N THR A 99 11.271 14.906 -11.823 1.00 0.00 N ATOM 1453 CA THR A 99 12.213 14.156 -11.009 1.00 0.00 C ATOM 1454 C THR A 99 13.636 14.677 -11.223 1.00 0.00 C ATOM 1455 O THR A 99 13.932 15.278 -12.254 1.00 0.00 O ATOM 1456 CB THR A 99 12.052 12.672 -11.345 1.00 0.00 C ATOM 1457 OG1 THR A 99 12.925 12.012 -10.432 1.00 0.00 O ATOM 1458 CG2 THR A 99 12.617 12.319 -12.722 1.00 0.00 C ATOM 0 H THR A 99 11.676 15.343 -12.651 1.00 0.00 H new ATOM 0 HA THR A 99 12.009 14.287 -9.946 1.00 0.00 H new ATOM 0 HB THR A 99 10.996 12.404 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.881 11.044 -10.579 1.00 0.00 H new ATOM 0 HG21 THR A 99 12.477 11.255 -12.911 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.096 12.895 -13.487 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.681 12.556 -12.751 1.00 0.00 H new ATOM 1466 N SER A 100 14.478 14.426 -10.232 1.00 0.00 N ATOM 1467 CA SER A 100 15.863 14.863 -10.299 1.00 0.00 C ATOM 1468 C SER A 100 15.930 16.391 -10.308 1.00 0.00 C ATOM 1469 O SER A 100 15.045 17.052 -10.849 1.00 0.00 O ATOM 1470 CB SER A 100 16.560 14.293 -11.536 1.00 0.00 C ATOM 1471 OG SER A 100 17.390 13.179 -11.216 1.00 0.00 O ATOM 0 H SER A 100 14.229 13.926 -9.379 1.00 0.00 H new ATOM 0 HA SER A 100 16.383 14.489 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.810 13.989 -12.266 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.163 15.072 -12.004 1.00 0.00 H new ATOM 0 HG SER A 100 17.816 12.843 -12.032 1.00 0.00 H new ATOM 1477 N SER A 101 16.989 16.908 -9.702 1.00 0.00 N ATOM 1478 CA SER A 101 17.184 18.347 -9.634 1.00 0.00 C ATOM 1479 C SER A 101 18.574 18.661 -9.079 1.00 0.00 C ATOM 1480 O SER A 101 19.132 17.877 -8.312 1.00 0.00 O ATOM 1481 CB SER A 101 16.106 19.008 -8.772 1.00 0.00 C ATOM 1482 OG SER A 101 16.199 18.614 -7.406 1.00 0.00 O ATOM 0 H SER A 101 17.721 16.357 -9.254 1.00 0.00 H new ATOM 0 HA SER A 101 17.103 18.752 -10.643 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.198 20.092 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.121 18.746 -9.159 1.00 0.00 H new ATOM 0 HG SER A 101 15.495 19.058 -6.889 1.00 0.00 H new ATOM 1488 N MET A 102 19.094 19.809 -9.487 1.00 0.00 N ATOM 1489 CA MET A 102 20.409 20.237 -9.040 1.00 0.00 C ATOM 1490 C MET A 102 20.372 20.684 -7.578 1.00 0.00 C ATOM 1491 O MET A 102 19.376 21.242 -7.120 1.00 0.00 O ATOM 1492 CB MET A 102 20.895 21.393 -9.916 1.00 0.00 C ATOM 1493 CG MET A 102 21.991 20.930 -10.878 1.00 0.00 C ATOM 1494 SD MET A 102 22.908 22.337 -11.481 1.00 0.00 S ATOM 1495 CE MET A 102 24.575 21.767 -11.191 1.00 0.00 C ATOM 0 H MET A 102 18.628 20.457 -10.123 1.00 0.00 H new ATOM 0 HA MET A 102 21.094 19.393 -9.125 1.00 0.00 H new ATOM 0 HB2 MET A 102 20.058 21.801 -10.482 1.00 0.00 H new ATOM 0 HB3 MET A 102 21.276 22.197 -9.285 1.00 0.00 H new ATOM 0 HG2 MET A 102 22.663 20.238 -10.371 1.00 0.00 H new ATOM 0 HG3 MET A 102 21.548 20.389 -11.714 1.00 0.00 H new ATOM 0 HE1 MET A 102 25.282 22.531 -11.514 1.00 0.00 H new ATOM 0 HE2 MET A 102 24.713 21.571 -10.128 1.00 0.00 H new ATOM 0 HE3 MET A 102 24.749 20.850 -11.754 1.00 0.00 H new ATOM 1505 N HIS A 103 21.470 20.423 -6.884 1.00 0.00 N ATOM 1506 CA HIS A 103 21.576 20.791 -5.483 1.00 0.00 C ATOM 1507 C HIS A 103 23.015 21.204 -5.168 1.00 0.00 C ATOM 1508 O HIS A 103 23.903 21.065 -6.008 1.00 0.00 O ATOM 1509 CB HIS A 103 21.074 19.660 -4.584 1.00 0.00 C ATOM 1510 CG HIS A 103 20.506 20.128 -3.266 1.00 0.00 C ATOM 1511 ND1 HIS A 103 21.116 20.383 -2.072 1.00 0.00 N flip ATOM 1512 CD2 HIS A 103 19.159 20.386 -3.079 1.00 0.00 C flip ATOM 1513 CE1 HIS A 103 20.192 20.775 -1.204 1.00 0.00 C flip ATOM 1514 NE2 HIS A 103 18.978 20.777 -1.826 1.00 0.00 N flip ATOM 0 H HIS A 103 22.295 19.961 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 103 20.936 21.649 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 103 20.308 19.098 -5.119 1.00 0.00 H new ATOM 0 HB3 HIS A 103 21.897 18.972 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 103 18.387 20.286 -3.827 1.00 0.00 H new ATOM 0 HE1 HIS A 103 20.372 21.048 -0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 103 18.087 21.034 -1.401 1.00 0.00 H new ATOM 1522 N ASN A 104 23.202 21.704 -3.956 1.00 0.00 N ATOM 1523 CA ASN A 104 24.518 22.138 -3.519 1.00 0.00 C ATOM 1524 C ASN A 104 25.341 20.918 -3.103 1.00 0.00 C ATOM 1525 O ASN A 104 24.784 19.863 -2.802 1.00 0.00 O ATOM 1526 CB ASN A 104 24.418 23.075 -2.314 1.00 0.00 C ATOM 1527 CG ASN A 104 23.510 24.268 -2.620 1.00 0.00 C ATOM 1528 OD1 ASN A 104 23.023 24.443 -3.725 1.00 0.00 O ATOM 1529 ND2 ASN A 104 23.310 25.076 -1.583 1.00 0.00 N ATOM 0 H ASN A 104 22.463 21.818 -3.262 1.00 0.00 H new ATOM 0 HA ASN A 104 24.990 22.666 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 104 24.029 22.528 -1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 104 25.412 23.430 -2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 104 22.718 25.901 -1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 104 23.748 24.871 -0.685 1.00 0.00 H new ATOM 1536 N LYS A 105 26.653 21.102 -3.098 1.00 0.00 N ATOM 1537 CA LYS A 105 27.558 20.029 -2.723 1.00 0.00 C ATOM 1538 C LYS A 105 28.229 20.375 -1.392 1.00 0.00 C ATOM 1539 O LYS A 105 28.054 21.476 -0.873 1.00 0.00 O ATOM 1540 CB LYS A 105 28.547 19.742 -3.854 1.00 0.00 C ATOM 1541 CG LYS A 105 29.552 20.885 -4.007 1.00 0.00 C ATOM 1542 CD LYS A 105 30.985 20.352 -4.069 1.00 0.00 C ATOM 1543 CE LYS A 105 31.846 20.961 -2.961 1.00 0.00 C ATOM 1544 NZ LYS A 105 32.721 22.021 -3.509 1.00 0.00 N ATOM 0 H LYS A 105 27.111 21.978 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 105 27.006 19.101 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.077 18.812 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 105 28.005 19.602 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.331 21.449 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.453 21.575 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 105 30.977 19.266 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.421 20.583 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.207 21.376 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 105 32.453 20.184 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.299 22.424 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.344 21.615 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 32.136 22.770 -3.932 1.00 0.00 H new ATOM 1558 N SER A 106 28.984 19.414 -0.879 1.00 0.00 N ATOM 1559 CA SER A 106 29.682 19.604 0.381 1.00 0.00 C ATOM 1560 C SER A 106 31.172 19.305 0.203 1.00 0.00 C ATOM 1561 O SER A 106 31.566 18.642 -0.755 1.00 0.00 O ATOM 1562 CB SER A 106 29.090 18.717 1.478 1.00 0.00 C ATOM 1563 OG SER A 106 29.466 17.351 1.321 1.00 0.00 O ATOM 0 H SER A 106 29.127 18.502 -1.313 1.00 0.00 H new ATOM 0 HA SER A 106 29.560 20.643 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 106 29.423 19.075 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 106 28.003 18.798 1.463 1.00 0.00 H new ATOM 0 HG SER A 106 29.070 16.818 2.041 1.00 0.00 H new ATOM 1569 N GLY A 107 31.960 19.808 1.142 1.00 0.00 N ATOM 1570 CA GLY A 107 33.398 19.603 1.102 1.00 0.00 C ATOM 1571 C GLY A 107 33.838 18.597 2.166 1.00 0.00 C ATOM 1572 O GLY A 107 33.231 18.510 3.233 1.00 0.00 O ATOM 0 H GLY A 107 31.630 20.357 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 107 33.691 19.245 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 107 33.909 20.553 1.261 1.00 0.00 H new ATOM 1576 N PRO A 108 34.919 17.842 1.832 1.00 0.00 N ATOM 1577 CA PRO A 108 35.448 16.845 2.747 1.00 0.00 C ATOM 1578 C PRO A 108 36.220 17.506 3.891 1.00 0.00 C ATOM 1579 O PRO A 108 36.273 18.731 3.982 1.00 0.00 O ATOM 1580 CB PRO A 108 36.318 15.943 1.886 1.00 0.00 C ATOM 1581 CG PRO A 108 36.616 16.734 0.623 1.00 0.00 C ATOM 1582 CD PRO A 108 35.664 17.918 0.578 1.00 0.00 C ATOM 0 HA PRO A 108 34.665 16.268 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 108 37.238 15.676 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 108 35.803 15.012 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 108 37.651 17.076 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 108 36.487 16.107 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 108 36.207 18.860 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 108 34.998 17.858 -0.283 1.00 0.00 H new ATOM 1590 N SER A 109 36.800 16.664 4.734 1.00 0.00 N ATOM 1591 CA SER A 109 37.566 17.151 5.869 1.00 0.00 C ATOM 1592 C SER A 109 39.001 16.625 5.795 1.00 0.00 C ATOM 1593 O SER A 109 39.287 15.693 5.044 1.00 0.00 O ATOM 1594 CB SER A 109 36.917 16.737 7.191 1.00 0.00 C ATOM 1595 OG SER A 109 37.171 15.370 7.505 1.00 0.00 O ATOM 0 H SER A 109 36.755 15.648 4.654 1.00 0.00 H new ATOM 0 HA SER A 109 37.581 18.240 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 109 37.295 17.370 7.994 1.00 0.00 H new ATOM 0 HB3 SER A 109 35.841 16.902 7.134 1.00 0.00 H new ATOM 0 HG SER A 109 36.742 15.145 8.357 1.00 0.00 H new ATOM 1601 N SER A 110 39.867 17.246 6.583 1.00 0.00 N ATOM 1602 CA SER A 110 41.265 16.853 6.616 1.00 0.00 C ATOM 1603 C SER A 110 41.530 15.965 7.834 1.00 0.00 C ATOM 1604 O SER A 110 40.701 15.883 8.739 1.00 0.00 O ATOM 1605 CB SER A 110 42.181 18.078 6.643 1.00 0.00 C ATOM 1606 OG SER A 110 42.196 18.706 7.921 1.00 0.00 O ATOM 0 H SER A 110 39.627 18.019 7.204 1.00 0.00 H new ATOM 0 HA SER A 110 41.484 16.290 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 110 43.194 17.779 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 110 41.850 18.794 5.891 1.00 0.00 H new ATOM 0 HG SER A 110 42.794 19.482 7.897 1.00 0.00 H new ATOM 1612 N GLY A 111 42.689 15.323 7.817 1.00 0.00 N ATOM 1613 CA GLY A 111 43.073 14.445 8.909 1.00 0.00 C ATOM 1614 C GLY A 111 44.592 14.268 8.962 1.00 0.00 C ATOM 1615 O GLY A 111 45.180 14.234 10.042 1.00 0.00 O ATOM 0 H GLY A 111 43.374 15.393 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 111 42.718 14.857 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 111 42.594 13.474 8.785 1.00 0.00 H new TER 1619 GLY A 111