USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -159:sc= -3.14! (180deg=-4.17!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= -0.105 (180deg=-0.663) USER MOD Single : A 7 THR OG1 : rot -139:sc= -1.82! USER MOD Single : A 9 SER OG : rot -38:sc= 1.61! USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= -0.147 (180deg=-0.272) USER MOD Single : A 13 LYS NZ :NH3+ -112:sc= -0.625 (180deg=-3.62!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -16.1! C(o=-16!,f=-19!) USER MOD Single : A 21 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.37) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00509 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 19:sc= -0.359 USER MOD Single : A 56 SER OG : rot -82:sc= 0.0385 USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.63! USER MOD Single : A 58 THR OG1 : rot 177:sc= -5.21! USER MOD Single : A 59 SER OG : rot -19:sc= -0.0902 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 96:sc= -1.97 USER MOD Single : A 72 ASN : amide:sc= -3.83! C(o=-3.8!,f=-12!) USER MOD Single : A 73 TYR OH : rot 96:sc= -5.18! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= -0.0465 (180deg=-0.375) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.791! C(o=-2.1!,f=-0.79!) USER MOD Single : A 93 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 20.468 3.459 1.846 1.00 0.00 N ATOM 2 CA LEU A 1 20.353 2.292 2.768 1.00 0.00 C ATOM 3 C LEU A 1 19.363 1.282 2.186 1.00 0.00 C ATOM 4 O LEU A 1 18.929 1.400 1.058 1.00 0.00 O ATOM 5 CB LEU A 1 19.850 2.757 4.139 1.00 0.00 C ATOM 6 CG LEU A 1 20.249 4.215 4.376 1.00 0.00 C ATOM 7 CD1 LEU A 1 19.057 5.124 4.074 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.671 4.396 5.836 1.00 0.00 C ATOM 0 H1 LEU A 1 21.361 3.960 2.030 1.00 0.00 H new ATOM 0 H2 LEU A 1 20.454 3.126 0.861 1.00 0.00 H new ATOM 0 H3 LEU A 1 19.669 4.106 2.004 1.00 0.00 H new ATOM 0 HA LEU A 1 21.333 1.828 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 1 18.766 2.655 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 1 20.268 2.125 4.922 1.00 0.00 H new ATOM 0 HG LEU A 1 21.081 4.476 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 1 19.340 6.163 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 1 18.755 4.994 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.226 4.864 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 1 20.956 5.434 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 1 19.839 4.136 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.520 3.747 6.053 1.00 0.00 H new ATOM 22 N LYS A 2 19.002 0.290 2.951 1.00 0.00 N ATOM 23 CA LYS A 2 18.038 -0.728 2.447 1.00 0.00 C ATOM 24 C LYS A 2 16.743 -0.645 3.258 1.00 0.00 C ATOM 25 O LYS A 2 16.746 -0.198 4.388 1.00 0.00 O ATOM 26 CB LYS A 2 18.644 -2.125 2.596 1.00 0.00 C ATOM 27 CG LYS A 2 19.648 -2.370 1.468 1.00 0.00 C ATOM 28 CD LYS A 2 21.004 -1.777 1.853 1.00 0.00 C ATOM 29 CE LYS A 2 21.882 -2.867 2.472 1.00 0.00 C ATOM 30 NZ LYS A 2 22.072 -2.587 3.923 1.00 0.00 N ATOM 0 H LYS A 2 19.333 0.140 3.904 1.00 0.00 H new ATOM 0 HA LYS A 2 17.824 -0.537 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.138 -2.217 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.857 -2.879 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.747 -3.439 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.290 -1.916 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.492 -1.358 0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.867 -0.960 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.417 -3.844 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.848 -2.901 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.669 -3.327 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.533 -1.662 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.147 -2.576 4.398 1.00 0.00 H new ATOM 44 N PRO A 3 15.676 -1.089 2.651 1.00 0.00 N ATOM 45 CA PRO A 3 14.355 -0.455 2.796 1.00 0.00 C ATOM 46 C PRO A 3 13.722 -0.842 4.135 1.00 0.00 C ATOM 47 O PRO A 3 13.089 -1.871 4.259 1.00 0.00 O ATOM 48 CB PRO A 3 13.554 -1.027 1.624 1.00 0.00 C ATOM 49 CG PRO A 3 14.250 -2.349 1.224 1.00 0.00 C ATOM 50 CD PRO A 3 15.691 -2.268 1.765 1.00 0.00 C ATOM 0 HA PRO A 3 14.396 0.634 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.518 -1.205 1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.537 -0.328 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.725 -3.206 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.249 -2.476 0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.964 -3.172 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.414 -2.151 0.958 1.00 0.00 H new ATOM 58 N LYS A 4 13.889 -0.025 5.139 1.00 0.00 N ATOM 59 CA LYS A 4 13.298 -0.346 6.466 1.00 0.00 C ATOM 60 C LYS A 4 11.831 0.085 6.483 1.00 0.00 C ATOM 61 O LYS A 4 11.497 1.154 6.953 1.00 0.00 O ATOM 62 CB LYS A 4 14.062 0.404 7.559 1.00 0.00 C ATOM 63 CG LYS A 4 14.769 -0.601 8.470 1.00 0.00 C ATOM 64 CD LYS A 4 15.048 0.049 9.827 1.00 0.00 C ATOM 65 CE LYS A 4 14.051 -0.477 10.861 1.00 0.00 C ATOM 66 NZ LYS A 4 14.297 -1.928 11.095 1.00 0.00 N ATOM 0 H LYS A 4 14.410 0.851 5.096 1.00 0.00 H new ATOM 0 HA LYS A 4 13.366 -1.419 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.791 1.079 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.375 1.018 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.150 -1.488 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.703 -0.928 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.067 -0.171 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.966 1.133 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.154 0.075 11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.031 -0.322 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.032 -2.172 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.726 -2.488 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.305 -2.137 10.947 1.00 0.00 H new ATOM 80 N ILE A 5 10.956 -0.741 5.974 1.00 0.00 N ATOM 81 CA ILE A 5 9.508 -0.387 5.961 1.00 0.00 C ATOM 82 C ILE A 5 8.930 -0.618 7.357 1.00 0.00 C ATOM 83 O ILE A 5 8.876 -1.729 7.845 1.00 0.00 O ATOM 84 CB ILE A 5 8.783 -1.253 4.923 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.418 -0.643 4.601 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.590 -2.668 5.466 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.227 -0.594 3.084 1.00 0.00 C ATOM 0 H ILE A 5 11.183 -1.648 5.566 1.00 0.00 H new ATOM 0 HA ILE A 5 9.375 0.661 5.691 1.00 0.00 H new ATOM 0 HB ILE A 5 9.386 -1.294 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.626 -1.235 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.348 0.361 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.074 -3.276 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.562 -3.110 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.995 -2.630 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.254 -0.159 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.012 0.017 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.278 -1.604 2.678 1.00 0.00 H new ATOM 99 N LEU A 6 8.517 0.433 8.013 1.00 0.00 N ATOM 100 CA LEU A 6 7.966 0.282 9.388 1.00 0.00 C ATOM 101 C LEU A 6 6.473 0.613 9.403 1.00 0.00 C ATOM 102 O LEU A 6 5.831 0.520 10.430 1.00 0.00 O ATOM 103 CB LEU A 6 8.704 1.230 10.335 1.00 0.00 C ATOM 104 CG LEU A 6 9.359 0.422 11.457 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.849 0.242 11.157 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.193 1.168 12.783 1.00 0.00 C ATOM 0 H LEU A 6 8.538 1.388 7.656 1.00 0.00 H new ATOM 0 HA LEU A 6 8.102 -0.750 9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.461 1.792 9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.008 1.957 10.754 1.00 0.00 H new ATOM 0 HG LEU A 6 8.883 -0.556 11.526 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.314 -0.334 11.957 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.968 -0.288 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.327 1.219 11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.659 0.594 13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.669 2.146 12.712 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.132 1.296 12.998 1.00 0.00 H new ATOM 118 N THR A 7 5.920 1.004 8.278 1.00 0.00 N ATOM 119 CA THR A 7 4.462 1.343 8.225 1.00 0.00 C ATOM 120 C THR A 7 3.675 0.456 9.194 1.00 0.00 C ATOM 121 O THR A 7 3.937 -0.724 9.324 1.00 0.00 O ATOM 122 CB THR A 7 3.934 1.113 6.808 1.00 0.00 C ATOM 123 OG1 THR A 7 2.559 0.760 6.874 1.00 0.00 O ATOM 124 CG2 THR A 7 4.720 -0.017 6.142 1.00 0.00 C ATOM 0 H THR A 7 6.417 1.103 7.393 1.00 0.00 H new ATOM 0 HA THR A 7 4.337 2.388 8.507 1.00 0.00 H new ATOM 0 HB THR A 7 4.052 2.025 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.375 0.040 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.341 -0.178 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.775 0.252 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.605 -0.932 6.723 1.00 0.00 H new ATOM 132 N ALA A 8 2.716 1.016 9.878 1.00 0.00 N ATOM 133 CA ALA A 8 1.916 0.207 10.841 1.00 0.00 C ATOM 134 C ALA A 8 1.465 -1.086 10.171 1.00 0.00 C ATOM 135 O ALA A 8 1.679 -2.172 10.671 1.00 0.00 O ATOM 136 CB ALA A 8 0.689 1.006 11.287 1.00 0.00 C ATOM 0 H ALA A 8 2.451 1.999 9.812 1.00 0.00 H new ATOM 0 HA ALA A 8 2.530 -0.030 11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.105 0.413 11.991 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.011 1.929 11.769 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.076 1.246 10.418 1.00 0.00 H new ATOM 142 N SER A 9 0.846 -0.966 9.041 1.00 0.00 N ATOM 143 CA SER A 9 0.368 -2.173 8.309 1.00 0.00 C ATOM 144 C SER A 9 -0.617 -2.950 9.184 1.00 0.00 C ATOM 145 O SER A 9 -0.323 -3.304 10.308 1.00 0.00 O ATOM 146 CB SER A 9 1.561 -3.064 7.962 1.00 0.00 C ATOM 147 OG SER A 9 1.657 -4.116 8.914 1.00 0.00 O ATOM 0 H SER A 9 0.645 -0.077 8.583 1.00 0.00 H new ATOM 0 HA SER A 9 -0.133 -1.865 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.442 -3.475 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.479 -2.477 7.959 1.00 0.00 H new ATOM 0 HG SER A 9 1.424 -3.775 9.803 1.00 0.00 H new ATOM 153 N ARG A 10 -1.786 -3.212 8.673 1.00 0.00 N ATOM 154 CA ARG A 10 -2.798 -3.960 9.464 1.00 0.00 C ATOM 155 C ARG A 10 -4.078 -4.086 8.645 1.00 0.00 C ATOM 156 O ARG A 10 -4.272 -5.031 7.906 1.00 0.00 O ATOM 157 CB ARG A 10 -3.087 -3.199 10.760 1.00 0.00 C ATOM 158 CG ARG A 10 -4.286 -3.829 11.470 1.00 0.00 C ATOM 159 CD ARG A 10 -4.451 -3.196 12.853 1.00 0.00 C ATOM 160 NE ARG A 10 -3.611 -3.932 13.840 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.087 -4.988 14.442 1.00 0.00 C ATOM 162 NH1 ARG A 10 -5.102 -4.873 15.255 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.549 -6.157 14.231 1.00 0.00 N ATOM 0 H ARG A 10 -2.085 -2.939 7.737 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.422 -4.954 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.213 -3.224 11.410 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.291 -2.151 10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.191 -3.680 10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.141 -4.905 11.566 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.158 -2.146 12.822 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.498 -3.226 13.156 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.665 -3.611 14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.523 -3.958 15.419 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.474 -5.698 15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.756 -6.246 13.596 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.921 -6.982 14.701 1.00 0.00 H new ATOM 177 N LYS A 11 -4.945 -3.130 8.765 1.00 0.00 N ATOM 178 CA LYS A 11 -6.216 -3.172 7.991 1.00 0.00 C ATOM 179 C LYS A 11 -6.634 -1.749 7.626 1.00 0.00 C ATOM 180 O LYS A 11 -5.957 -0.790 7.939 1.00 0.00 O ATOM 181 CB LYS A 11 -7.317 -3.823 8.829 1.00 0.00 C ATOM 182 CG LYS A 11 -6.860 -5.208 9.290 1.00 0.00 C ATOM 183 CD LYS A 11 -7.864 -5.768 10.300 1.00 0.00 C ATOM 184 CE LYS A 11 -7.219 -5.817 11.686 1.00 0.00 C ATOM 185 NZ LYS A 11 -6.150 -6.855 11.700 1.00 0.00 N ATOM 0 H LYS A 11 -4.832 -2.315 9.368 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.063 -3.757 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.548 -3.199 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.232 -3.907 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.777 -5.878 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.870 -5.144 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.758 -5.144 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.181 -6.767 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.799 -4.843 11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.971 -6.044 12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.355 -6.526 12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.529 -7.738 12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.819 -7.026 10.729 1.00 0.00 H new ATOM 199 N ILE A 12 -7.744 -1.606 6.960 1.00 0.00 N ATOM 200 CA ILE A 12 -8.208 -0.250 6.565 1.00 0.00 C ATOM 201 C ILE A 12 -9.734 -0.251 6.452 1.00 0.00 C ATOM 202 O ILE A 12 -10.290 -0.593 5.427 1.00 0.00 O ATOM 203 CB ILE A 12 -7.587 0.116 5.216 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.078 0.305 5.387 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.203 1.415 4.702 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.814 1.528 6.267 1.00 0.00 C ATOM 0 H ILE A 12 -8.352 -2.373 6.672 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.905 0.481 7.314 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.779 -0.684 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.638 -0.584 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.604 0.435 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.759 1.673 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.278 1.285 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.012 2.216 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.739 1.663 6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.240 2.414 5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.274 1.380 7.244 1.00 0.00 H new ATOM 218 N LYS A 13 -10.414 0.125 7.500 1.00 0.00 N ATOM 219 CA LYS A 13 -11.903 0.142 7.458 1.00 0.00 C ATOM 220 C LYS A 13 -12.380 1.367 6.677 1.00 0.00 C ATOM 221 O LYS A 13 -12.602 2.424 7.235 1.00 0.00 O ATOM 222 CB LYS A 13 -12.454 0.202 8.885 1.00 0.00 C ATOM 223 CG LYS A 13 -13.556 -0.846 9.053 1.00 0.00 C ATOM 224 CD LYS A 13 -14.688 -0.561 8.064 1.00 0.00 C ATOM 225 CE LYS A 13 -15.726 0.348 8.723 1.00 0.00 C ATOM 226 NZ LYS A 13 -16.567 0.985 7.671 1.00 0.00 N ATOM 0 H LYS A 13 -10.002 0.422 8.385 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.261 -0.763 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.654 0.021 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.849 1.197 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.152 -1.844 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.938 -0.827 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.290 -0.086 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.154 -1.495 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.352 -0.230 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.229 1.113 9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.372 2.006 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.345 0.563 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.572 0.831 7.889 1.00 0.00 H new ATOM 240 N ILE A 14 -12.544 1.235 5.390 1.00 0.00 N ATOM 241 CA ILE A 14 -13.011 2.392 4.576 1.00 0.00 C ATOM 242 C ILE A 14 -14.523 2.279 4.363 1.00 0.00 C ATOM 243 O ILE A 14 -15.092 1.210 4.447 1.00 0.00 O ATOM 244 CB ILE A 14 -12.298 2.380 3.220 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.833 1.978 3.418 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.371 3.774 2.590 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.063 2.146 2.105 1.00 0.00 C ATOM 0 H ILE A 14 -12.375 0.376 4.867 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.785 3.324 5.095 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.784 1.662 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.380 2.593 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.773 0.943 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.863 3.764 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.415 4.055 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.887 4.496 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.022 1.858 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.509 1.512 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.109 3.187 1.787 1.00 0.00 H new ATOM 259 N LYS A 15 -15.182 3.371 4.089 1.00 0.00 N ATOM 260 CA LYS A 15 -16.654 3.311 3.870 1.00 0.00 C ATOM 261 C LYS A 15 -16.929 3.142 2.374 1.00 0.00 C ATOM 262 O LYS A 15 -16.047 3.294 1.553 1.00 0.00 O ATOM 263 CB LYS A 15 -17.299 4.603 4.372 1.00 0.00 C ATOM 264 CG LYS A 15 -18.265 4.284 5.515 1.00 0.00 C ATOM 265 CD LYS A 15 -17.502 4.273 6.841 1.00 0.00 C ATOM 266 CE LYS A 15 -17.634 5.639 7.517 1.00 0.00 C ATOM 267 NZ LYS A 15 -17.394 5.494 8.981 1.00 0.00 N ATOM 0 H LYS A 15 -14.766 4.299 4.008 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.075 2.467 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.530 5.296 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.832 5.095 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.063 5.026 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.737 3.316 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.896 3.493 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.451 4.042 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.918 6.340 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.628 6.050 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.484 6.422 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.094 4.839 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.437 5.120 9.140 1.00 0.00 H new ATOM 281 N ALA A 16 -18.141 2.823 2.011 1.00 0.00 N ATOM 282 CA ALA A 16 -18.458 2.639 0.567 1.00 0.00 C ATOM 283 C ALA A 16 -18.481 4.002 -0.135 1.00 0.00 C ATOM 284 O ALA A 16 -18.813 5.005 0.459 1.00 0.00 O ATOM 285 CB ALA A 16 -19.826 1.969 0.425 1.00 0.00 C ATOM 0 H ALA A 16 -18.923 2.682 2.650 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.695 2.010 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.057 1.835 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.808 0.998 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.588 2.597 0.886 1.00 0.00 H new ATOM 291 N GLY A 17 -18.134 4.044 -1.396 1.00 0.00 N ATOM 292 CA GLY A 17 -18.137 5.339 -2.136 1.00 0.00 C ATOM 293 C GLY A 17 -17.498 6.429 -1.274 1.00 0.00 C ATOM 294 O GLY A 17 -17.850 7.589 -1.365 1.00 0.00 O ATOM 0 H GLY A 17 -17.848 3.234 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.589 5.235 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.158 5.619 -2.394 1.00 0.00 H new ATOM 298 N PHE A 18 -16.571 6.069 -0.430 1.00 0.00 N ATOM 299 CA PHE A 18 -15.923 7.091 0.445 1.00 0.00 C ATOM 300 C PHE A 18 -14.484 7.348 -0.005 1.00 0.00 C ATOM 301 O PHE A 18 -14.015 6.800 -0.986 1.00 0.00 O ATOM 302 CB PHE A 18 -15.915 6.599 1.893 1.00 0.00 C ATOM 303 CG PHE A 18 -17.168 7.075 2.582 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.347 7.214 1.849 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.151 7.377 3.949 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.517 7.655 2.478 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.320 7.818 4.581 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.503 7.957 3.846 1.00 0.00 C ATOM 0 H PHE A 18 -16.234 5.114 -0.307 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.490 8.019 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.861 5.511 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.034 6.975 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.357 6.981 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.238 7.270 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.429 7.762 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.309 8.051 5.636 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.405 8.297 4.333 1.00 0.00 H new ATOM 318 N THR A 19 -13.785 8.188 0.714 1.00 0.00 N ATOM 319 CA THR A 19 -12.377 8.502 0.349 1.00 0.00 C ATOM 320 C THR A 19 -11.437 8.028 1.461 1.00 0.00 C ATOM 321 O THR A 19 -11.753 8.109 2.632 1.00 0.00 O ATOM 322 CB THR A 19 -12.226 10.014 0.166 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.601 10.674 1.367 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.124 10.485 -0.979 1.00 0.00 C ATOM 0 H THR A 19 -14.134 8.671 1.542 1.00 0.00 H new ATOM 0 HA THR A 19 -12.122 7.992 -0.580 1.00 0.00 H new ATOM 0 HB THR A 19 -11.188 10.249 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.503 11.642 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.015 11.562 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.835 9.979 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.163 10.251 -0.747 1.00 0.00 H new ATOM 332 N HIS A 20 -10.284 7.532 1.103 1.00 0.00 N ATOM 333 CA HIS A 20 -9.320 7.048 2.135 1.00 0.00 C ATOM 334 C HIS A 20 -7.921 7.586 1.822 1.00 0.00 C ATOM 335 O HIS A 20 -7.619 7.943 0.701 1.00 0.00 O ATOM 336 CB HIS A 20 -9.281 5.520 2.103 1.00 0.00 C ATOM 337 CG HIS A 20 -9.200 4.964 3.493 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.265 5.024 4.375 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.198 4.298 4.154 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.888 4.406 5.507 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.635 3.947 5.429 1.00 0.00 N ATOM 0 H HIS A 20 -9.966 7.440 0.138 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.635 7.396 3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.172 5.139 1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.422 5.185 1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.221 4.080 3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.521 4.294 6.375 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.112 3.447 6.148 1.00 0.00 H new ATOM 349 N ASN A 21 -7.061 7.631 2.801 1.00 0.00 N ATOM 350 CA ASN A 21 -5.676 8.126 2.560 1.00 0.00 C ATOM 351 C ASN A 21 -4.689 7.137 3.186 1.00 0.00 C ATOM 352 O ASN A 21 -4.300 7.265 4.331 1.00 0.00 O ATOM 353 CB ASN A 21 -5.507 9.514 3.183 1.00 0.00 C ATOM 354 CG ASN A 21 -4.018 9.846 3.310 1.00 0.00 C ATOM 355 OD1 ASN A 21 -3.495 9.936 4.403 1.00 0.00 O ATOM 356 ND2 ASN A 21 -3.308 10.032 2.231 1.00 0.00 N ATOM 0 H ASN A 21 -7.258 7.346 3.760 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.485 8.204 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.005 10.263 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.981 9.543 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.315 10.253 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.746 9.957 1.313 1.00 0.00 H new ATOM 363 N LEU A 22 -4.304 6.141 2.441 1.00 0.00 N ATOM 364 CA LEU A 22 -3.364 5.112 2.965 1.00 0.00 C ATOM 365 C LEU A 22 -1.949 5.681 3.068 1.00 0.00 C ATOM 366 O LEU A 22 -1.446 6.295 2.145 1.00 0.00 O ATOM 367 CB LEU A 22 -3.372 3.936 1.996 1.00 0.00 C ATOM 368 CG LEU A 22 -2.421 2.841 2.472 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.948 1.499 1.978 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.021 3.075 1.894 1.00 0.00 C ATOM 0 H LEU A 22 -4.605 5.994 1.478 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.677 4.797 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.382 3.536 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.077 4.274 1.003 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.362 2.852 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.281 0.702 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.946 1.328 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.995 1.505 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.349 2.289 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.070 3.059 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.647 4.044 2.226 1.00 0.00 H new ATOM 382 N GLU A 23 -1.298 5.469 4.181 1.00 0.00 N ATOM 383 CA GLU A 23 0.090 5.986 4.348 1.00 0.00 C ATOM 384 C GLU A 23 1.036 4.828 4.689 1.00 0.00 C ATOM 385 O GLU A 23 0.635 3.825 5.246 1.00 0.00 O ATOM 386 CB GLU A 23 0.117 7.016 5.479 1.00 0.00 C ATOM 387 CG GLU A 23 -0.238 6.334 6.802 1.00 0.00 C ATOM 388 CD GLU A 23 -1.045 7.298 7.674 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.565 8.394 7.912 1.00 0.00 O ATOM 390 OE2 GLU A 23 -2.130 6.923 8.088 1.00 0.00 O ATOM 0 H GLU A 23 -1.669 4.959 4.983 1.00 0.00 H new ATOM 0 HA GLU A 23 0.414 6.455 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.105 7.471 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.590 7.819 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.815 5.429 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.671 6.031 7.322 1.00 0.00 H new ATOM 397 N VAL A 24 2.290 4.968 4.357 1.00 0.00 N ATOM 398 CA VAL A 24 3.281 3.892 4.654 1.00 0.00 C ATOM 399 C VAL A 24 4.684 4.504 4.622 1.00 0.00 C ATOM 400 O VAL A 24 4.882 5.574 4.083 1.00 0.00 O ATOM 401 CB VAL A 24 3.164 2.783 3.598 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.462 1.971 3.533 1.00 0.00 C ATOM 403 CG2 VAL A 24 2.010 1.852 3.973 1.00 0.00 C ATOM 0 H VAL A 24 2.675 5.788 3.889 1.00 0.00 H new ATOM 0 HA VAL A 24 3.090 3.461 5.637 1.00 0.00 H new ATOM 0 HB VAL A 24 2.980 3.238 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.364 1.189 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.290 2.629 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.656 1.517 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.922 1.063 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.203 1.408 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.081 2.421 4.010 1.00 0.00 H new ATOM 413 N ASP A 25 5.662 3.850 5.195 1.00 0.00 N ATOM 414 CA ASP A 25 7.031 4.435 5.182 1.00 0.00 C ATOM 415 C ASP A 25 8.098 3.343 5.228 1.00 0.00 C ATOM 416 O ASP A 25 7.960 2.345 5.909 1.00 0.00 O ATOM 417 CB ASP A 25 7.200 5.357 6.392 1.00 0.00 C ATOM 418 CG ASP A 25 6.393 4.810 7.570 1.00 0.00 C ATOM 419 OD1 ASP A 25 6.516 3.629 7.850 1.00 0.00 O ATOM 420 OD2 ASP A 25 5.664 5.582 8.173 1.00 0.00 O ATOM 0 H ASP A 25 5.572 2.949 5.664 1.00 0.00 H new ATOM 0 HA ASP A 25 7.154 4.999 4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.253 5.430 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.864 6.364 6.144 1.00 0.00 H new ATOM 425 N PHE A 26 9.178 3.546 4.518 1.00 0.00 N ATOM 426 CA PHE A 26 10.276 2.539 4.529 1.00 0.00 C ATOM 427 C PHE A 26 11.586 3.210 4.114 1.00 0.00 C ATOM 428 O PHE A 26 11.659 3.896 3.114 1.00 0.00 O ATOM 429 CB PHE A 26 9.947 1.375 3.586 1.00 0.00 C ATOM 430 CG PHE A 26 9.768 1.864 2.171 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.516 2.320 1.739 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.849 1.839 1.283 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.347 2.755 0.421 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.679 2.272 -0.037 1.00 0.00 C ATOM 435 CZ PHE A 26 9.429 2.730 -0.468 1.00 0.00 C ATOM 0 H PHE A 26 9.345 4.365 3.933 1.00 0.00 H new ATOM 0 HA PHE A 26 10.383 2.138 5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.747 0.636 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.037 0.876 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.681 2.336 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.814 1.486 1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.383 3.110 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.513 2.253 -0.723 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.299 3.064 -1.487 1.00 0.00 H new ATOM 445 N ILE A 27 12.617 3.031 4.896 1.00 0.00 N ATOM 446 CA ILE A 27 13.925 3.673 4.574 1.00 0.00 C ATOM 447 C ILE A 27 14.669 2.863 3.512 1.00 0.00 C ATOM 448 O ILE A 27 15.501 2.032 3.817 1.00 0.00 O ATOM 449 CB ILE A 27 14.771 3.760 5.847 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.235 4.890 6.725 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.230 4.052 5.486 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.750 4.659 7.007 1.00 0.00 C ATOM 0 H ILE A 27 12.610 2.467 5.746 1.00 0.00 H new ATOM 0 HA ILE A 27 13.745 4.674 4.183 1.00 0.00 H new ATOM 0 HB ILE A 27 14.717 2.812 6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.791 4.932 7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.376 5.849 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.825 4.112 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.615 3.252 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.290 4.999 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.369 5.466 7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.200 4.639 6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.621 3.707 7.523 1.00 0.00 H new ATOM 464 N GLY A 28 14.389 3.116 2.267 1.00 0.00 N ATOM 465 CA GLY A 28 15.088 2.376 1.179 1.00 0.00 C ATOM 466 C GLY A 28 15.791 3.377 0.261 1.00 0.00 C ATOM 467 O GLY A 28 15.287 4.451 0.001 1.00 0.00 O ATOM 0 H GLY A 28 13.705 3.804 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.813 1.682 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.373 1.782 0.610 1.00 0.00 H new ATOM 471 N ALA A 29 16.950 3.040 -0.234 1.00 0.00 N ATOM 472 CA ALA A 29 17.668 3.985 -1.134 1.00 0.00 C ATOM 473 C ALA A 29 18.919 3.310 -1.709 1.00 0.00 C ATOM 474 O ALA A 29 19.321 2.257 -1.255 1.00 0.00 O ATOM 475 CB ALA A 29 18.070 5.232 -0.345 1.00 0.00 C ATOM 0 H ALA A 29 17.428 2.157 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 29 17.011 4.271 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.596 5.925 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.177 5.715 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.724 4.946 0.479 1.00 0.00 H new ATOM 481 N PRO A 30 19.486 3.939 -2.708 1.00 0.00 N ATOM 482 CA PRO A 30 18.981 5.215 -3.243 1.00 0.00 C ATOM 483 C PRO A 30 17.724 4.982 -4.077 1.00 0.00 C ATOM 484 O PRO A 30 17.627 4.029 -4.824 1.00 0.00 O ATOM 485 CB PRO A 30 20.124 5.725 -4.115 1.00 0.00 C ATOM 486 CG PRO A 30 20.955 4.485 -4.490 1.00 0.00 C ATOM 487 CD PRO A 30 20.679 3.425 -3.406 1.00 0.00 C ATOM 0 HA PRO A 30 18.703 5.923 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.743 6.224 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.731 6.453 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.674 4.114 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.017 4.728 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.495 2.444 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.525 3.318 -2.727 1.00 0.00 H new ATOM 495 N ASP A 31 16.776 5.861 -3.944 1.00 0.00 N ATOM 496 CA ASP A 31 15.496 5.749 -4.706 1.00 0.00 C ATOM 497 C ASP A 31 15.127 4.277 -4.933 1.00 0.00 C ATOM 498 O ASP A 31 15.455 3.711 -5.956 1.00 0.00 O ATOM 499 CB ASP A 31 15.646 6.450 -6.057 1.00 0.00 C ATOM 500 CG ASP A 31 14.396 7.285 -6.340 1.00 0.00 C ATOM 501 OD1 ASP A 31 13.332 6.894 -5.889 1.00 0.00 O ATOM 502 OD2 ASP A 31 14.524 8.302 -7.002 1.00 0.00 O ATOM 0 H ASP A 31 16.831 6.671 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 31 14.703 6.222 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.529 7.089 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.791 5.713 -6.847 1.00 0.00 H new ATOM 507 N PRO A 32 14.448 3.706 -3.971 1.00 0.00 N ATOM 508 CA PRO A 32 14.009 2.300 -4.034 1.00 0.00 C ATOM 509 C PRO A 32 12.760 2.184 -4.908 1.00 0.00 C ATOM 510 O PRO A 32 12.392 3.107 -5.609 1.00 0.00 O ATOM 511 CB PRO A 32 13.669 1.964 -2.580 1.00 0.00 C ATOM 512 CG PRO A 32 13.368 3.313 -1.889 1.00 0.00 C ATOM 513 CD PRO A 32 14.057 4.404 -2.730 1.00 0.00 C ATOM 0 HA PRO A 32 14.759 1.634 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.809 1.297 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.500 1.453 -2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.294 3.488 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.745 3.317 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.382 5.235 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.924 4.817 -2.214 1.00 0.00 H new ATOM 521 N THR A 33 12.097 1.065 -4.859 1.00 0.00 N ATOM 522 CA THR A 33 10.862 0.897 -5.673 1.00 0.00 C ATOM 523 C THR A 33 9.808 0.168 -4.841 1.00 0.00 C ATOM 524 O THR A 33 9.948 -0.996 -4.528 1.00 0.00 O ATOM 525 CB THR A 33 11.168 0.081 -6.928 1.00 0.00 C ATOM 526 OG1 THR A 33 11.966 0.855 -7.814 1.00 0.00 O ATOM 527 CG2 THR A 33 9.854 -0.293 -7.612 1.00 0.00 C ATOM 0 H THR A 33 12.356 0.259 -4.291 1.00 0.00 H new ATOM 0 HA THR A 33 10.490 1.878 -5.968 1.00 0.00 H new ATOM 0 HB THR A 33 11.710 -0.825 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.164 0.331 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.064 -0.876 -8.509 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.244 -0.885 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.316 0.614 -7.886 1.00 0.00 H new ATOM 535 N ALA A 34 8.752 0.841 -4.482 1.00 0.00 N ATOM 536 CA ALA A 34 7.694 0.179 -3.670 1.00 0.00 C ATOM 537 C ALA A 34 6.547 -0.247 -4.586 1.00 0.00 C ATOM 538 O ALA A 34 6.112 0.498 -5.440 1.00 0.00 O ATOM 539 CB ALA A 34 7.178 1.151 -2.607 1.00 0.00 C ATOM 0 H ALA A 34 8.575 1.818 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 34 8.108 -0.700 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.404 0.664 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.000 1.449 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.762 2.034 -3.092 1.00 0.00 H new ATOM 545 N THR A 35 6.062 -1.448 -4.423 1.00 0.00 N ATOM 546 CA THR A 35 4.953 -1.924 -5.295 1.00 0.00 C ATOM 547 C THR A 35 3.668 -2.068 -4.477 1.00 0.00 C ATOM 548 O THR A 35 3.604 -2.822 -3.525 1.00 0.00 O ATOM 549 CB THR A 35 5.326 -3.282 -5.894 1.00 0.00 C ATOM 550 OG1 THR A 35 6.453 -3.129 -6.746 1.00 0.00 O ATOM 551 CG2 THR A 35 4.146 -3.828 -6.698 1.00 0.00 C ATOM 0 H THR A 35 6.385 -2.118 -3.725 1.00 0.00 H new ATOM 0 HA THR A 35 4.790 -1.200 -6.093 1.00 0.00 H new ATOM 0 HB THR A 35 5.569 -3.979 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.694 -3.998 -7.129 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.413 -4.795 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.283 -3.946 -6.043 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.900 -3.133 -7.501 1.00 0.00 H new ATOM 559 N TRP A 36 2.639 -1.358 -4.854 1.00 0.00 N ATOM 560 CA TRP A 36 1.348 -1.457 -4.118 1.00 0.00 C ATOM 561 C TRP A 36 0.487 -2.541 -4.780 1.00 0.00 C ATOM 562 O TRP A 36 -0.155 -2.314 -5.791 1.00 0.00 O ATOM 563 CB TRP A 36 0.625 -0.109 -4.176 1.00 0.00 C ATOM 564 CG TRP A 36 1.078 0.757 -3.038 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.842 1.868 -3.161 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.810 0.606 -1.612 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.050 2.410 -1.908 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.436 1.671 -0.921 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.090 -0.335 -0.858 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.353 1.796 0.466 1.00 0.00 C ATOM 571 CZ3 TRP A 36 0.006 -0.212 0.539 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.634 0.852 1.198 1.00 0.00 C ATOM 0 H TRP A 36 2.638 -0.712 -5.643 1.00 0.00 H new ATOM 0 HA TRP A 36 1.528 -1.718 -3.075 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.831 0.385 -5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.453 -0.261 -4.123 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.226 2.266 -4.089 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.593 3.256 -1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.402 -1.158 -1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.842 2.617 0.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.547 -0.944 1.109 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.562 0.941 2.272 1.00 0.00 H new ATOM 583 N THR A 37 0.481 -3.723 -4.225 1.00 0.00 N ATOM 584 CA THR A 37 -0.326 -4.826 -4.823 1.00 0.00 C ATOM 585 C THR A 37 -1.491 -5.171 -3.896 1.00 0.00 C ATOM 586 O THR A 37 -1.597 -4.666 -2.796 1.00 0.00 O ATOM 587 CB THR A 37 0.554 -6.067 -5.001 1.00 0.00 C ATOM 588 OG1 THR A 37 1.820 -5.838 -4.399 1.00 0.00 O ATOM 589 CG2 THR A 37 0.741 -6.362 -6.490 1.00 0.00 C ATOM 0 H THR A 37 1.000 -3.973 -3.383 1.00 0.00 H new ATOM 0 HA THR A 37 -0.710 -4.504 -5.791 1.00 0.00 H new ATOM 0 HB THR A 37 0.072 -6.921 -4.525 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.384 -6.632 -4.511 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.368 -7.246 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.231 -6.541 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.219 -5.510 -6.972 1.00 0.00 H new ATOM 597 N VAL A 38 -2.365 -6.034 -4.332 1.00 0.00 N ATOM 598 CA VAL A 38 -3.520 -6.415 -3.477 1.00 0.00 C ATOM 599 C VAL A 38 -3.595 -7.941 -3.376 1.00 0.00 C ATOM 600 O VAL A 38 -3.958 -8.608 -4.322 1.00 0.00 O ATOM 601 CB VAL A 38 -4.811 -5.879 -4.098 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.050 -6.568 -5.436 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.989 -6.174 -3.171 1.00 0.00 C ATOM 0 H VAL A 38 -2.329 -6.491 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.394 -5.991 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.720 -4.803 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.969 -6.188 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.213 -6.366 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.139 -7.643 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.907 -5.791 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.078 -7.251 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.824 -5.691 -2.208 1.00 0.00 H new ATOM 613 N GLY A 39 -3.242 -8.485 -2.233 1.00 0.00 N ATOM 614 CA GLY A 39 -3.274 -9.969 -2.023 1.00 0.00 C ATOM 615 C GLY A 39 -4.273 -10.641 -2.969 1.00 0.00 C ATOM 616 O GLY A 39 -5.432 -10.815 -2.646 1.00 0.00 O ATOM 0 H GLY A 39 -2.927 -7.952 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.279 -10.384 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.544 -10.187 -0.990 1.00 0.00 H new ATOM 620 N ASP A 40 -3.828 -11.024 -4.135 1.00 0.00 N ATOM 621 CA ASP A 40 -4.740 -11.690 -5.106 1.00 0.00 C ATOM 622 C ASP A 40 -3.911 -12.292 -6.241 1.00 0.00 C ATOM 623 O ASP A 40 -4.261 -12.194 -7.401 1.00 0.00 O ATOM 624 CB ASP A 40 -5.725 -10.667 -5.676 1.00 0.00 C ATOM 625 CG ASP A 40 -7.118 -10.924 -5.099 1.00 0.00 C ATOM 626 OD1 ASP A 40 -7.851 -11.697 -5.694 1.00 0.00 O ATOM 627 OD2 ASP A 40 -7.428 -10.344 -4.071 1.00 0.00 O ATOM 0 H ASP A 40 -2.868 -10.903 -4.457 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.298 -12.478 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.399 -9.656 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.751 -10.738 -6.763 1.00 0.00 H new ATOM 632 N SER A 41 -2.816 -12.920 -5.912 1.00 0.00 N ATOM 633 CA SER A 41 -1.960 -13.536 -6.961 1.00 0.00 C ATOM 634 C SER A 41 -1.238 -12.444 -7.753 1.00 0.00 C ATOM 635 O SER A 41 -1.325 -12.382 -8.963 1.00 0.00 O ATOM 636 CB SER A 41 -2.840 -14.355 -7.899 1.00 0.00 C ATOM 637 OG SER A 41 -2.071 -15.405 -8.472 1.00 0.00 O ATOM 0 H SER A 41 -2.477 -13.033 -4.957 1.00 0.00 H new ATOM 0 HA SER A 41 -1.216 -14.181 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.688 -14.767 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.246 -13.717 -8.684 1.00 0.00 H new ATOM 0 HG SER A 41 -2.636 -15.933 -9.074 1.00 0.00 H new ATOM 643 N GLY A 42 -0.522 -11.582 -7.081 1.00 0.00 N ATOM 644 CA GLY A 42 0.206 -10.500 -7.799 1.00 0.00 C ATOM 645 C GLY A 42 -0.784 -9.422 -8.241 1.00 0.00 C ATOM 646 O GLY A 42 -0.424 -8.477 -8.915 1.00 0.00 O ATOM 0 H GLY A 42 -0.411 -11.582 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.966 -10.066 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.724 -10.910 -8.666 1.00 0.00 H new ATOM 650 N ALA A 43 -2.029 -9.554 -7.869 1.00 0.00 N ATOM 651 CA ALA A 43 -3.033 -8.534 -8.271 1.00 0.00 C ATOM 652 C ALA A 43 -2.445 -7.140 -8.068 1.00 0.00 C ATOM 653 O ALA A 43 -1.670 -6.909 -7.162 1.00 0.00 O ATOM 654 CB ALA A 43 -4.291 -8.682 -7.416 1.00 0.00 C ATOM 0 H ALA A 43 -2.391 -10.323 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.292 -8.676 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.024 -7.932 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.712 -9.677 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.036 -8.542 -6.366 1.00 0.00 H new ATOM 660 N ALA A 44 -2.807 -6.207 -8.901 1.00 0.00 N ATOM 661 CA ALA A 44 -2.265 -4.829 -8.749 1.00 0.00 C ATOM 662 C ALA A 44 -3.245 -3.984 -7.941 1.00 0.00 C ATOM 663 O ALA A 44 -4.445 -4.159 -8.022 1.00 0.00 O ATOM 664 CB ALA A 44 -2.066 -4.196 -10.125 1.00 0.00 C ATOM 0 H ALA A 44 -3.453 -6.338 -9.679 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.307 -4.876 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.669 -3.188 -10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.365 -4.797 -10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.022 -4.151 -10.647 1.00 0.00 H new ATOM 670 N LEU A 45 -2.746 -3.071 -7.158 1.00 0.00 N ATOM 671 CA LEU A 45 -3.654 -2.219 -6.344 1.00 0.00 C ATOM 672 C LEU A 45 -4.234 -1.097 -7.212 1.00 0.00 C ATOM 673 O LEU A 45 -4.054 -1.070 -8.413 1.00 0.00 O ATOM 674 CB LEU A 45 -2.869 -1.616 -5.179 1.00 0.00 C ATOM 675 CG LEU A 45 -3.772 -1.509 -3.956 1.00 0.00 C ATOM 676 CD1 LEU A 45 -3.129 -2.248 -2.781 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.954 -0.036 -3.593 1.00 0.00 C ATOM 0 H LEU A 45 -1.751 -2.878 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.472 -2.827 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.003 -2.237 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.492 -0.631 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.742 -1.955 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.775 -2.172 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.994 -3.298 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.160 -1.802 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.599 0.046 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.983 0.407 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.410 0.492 -4.431 1.00 0.00 H new ATOM 689 N ALA A 46 -4.937 -0.181 -6.600 1.00 0.00 N ATOM 690 CA ALA A 46 -5.553 0.952 -7.351 1.00 0.00 C ATOM 691 C ALA A 46 -6.899 0.555 -8.005 1.00 0.00 C ATOM 692 O ALA A 46 -7.302 1.189 -8.963 1.00 0.00 O ATOM 693 CB ALA A 46 -4.588 1.416 -8.444 1.00 0.00 C ATOM 0 H ALA A 46 -5.113 -0.170 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.749 1.753 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.034 2.244 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.654 1.745 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.388 0.591 -9.127 1.00 0.00 H new ATOM 699 N PRO A 47 -7.584 -0.454 -7.488 1.00 0.00 N ATOM 700 CA PRO A 47 -8.866 -0.885 -8.073 1.00 0.00 C ATOM 701 C PRO A 47 -9.916 0.197 -7.877 1.00 0.00 C ATOM 702 O PRO A 47 -10.649 0.210 -6.909 1.00 0.00 O ATOM 703 CB PRO A 47 -9.213 -2.170 -7.317 1.00 0.00 C ATOM 704 CG PRO A 47 -8.416 -2.115 -5.999 1.00 0.00 C ATOM 705 CD PRO A 47 -7.200 -1.214 -6.280 1.00 0.00 C ATOM 0 HA PRO A 47 -8.816 -1.059 -9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.284 -2.232 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.943 -3.051 -7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.025 -1.709 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.101 -3.112 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.994 -0.550 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.299 -1.803 -6.450 1.00 0.00 H new ATOM 713 N GLU A 48 -9.976 1.110 -8.800 1.00 0.00 N ATOM 714 CA GLU A 48 -10.956 2.213 -8.701 1.00 0.00 C ATOM 715 C GLU A 48 -10.450 3.243 -7.696 1.00 0.00 C ATOM 716 O GLU A 48 -11.211 4.028 -7.166 1.00 0.00 O ATOM 717 CB GLU A 48 -12.296 1.649 -8.243 1.00 0.00 C ATOM 718 CG GLU A 48 -13.435 2.457 -8.866 1.00 0.00 C ATOM 719 CD GLU A 48 -14.573 1.515 -9.264 1.00 0.00 C ATOM 720 OE1 GLU A 48 -14.631 0.425 -8.719 1.00 0.00 O ATOM 721 OE2 GLU A 48 -15.367 1.900 -10.107 1.00 0.00 O ATOM 0 H GLU A 48 -9.380 1.137 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.081 2.692 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.379 0.602 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.364 1.685 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.797 3.202 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.075 2.998 -9.741 1.00 0.00 H new ATOM 728 N LEU A 49 -9.167 3.262 -7.433 1.00 0.00 N ATOM 729 CA LEU A 49 -8.645 4.262 -6.469 1.00 0.00 C ATOM 730 C LEU A 49 -7.328 4.846 -6.980 1.00 0.00 C ATOM 731 O LEU A 49 -6.927 4.612 -8.103 1.00 0.00 O ATOM 732 CB LEU A 49 -8.445 3.628 -5.093 1.00 0.00 C ATOM 733 CG LEU A 49 -7.538 2.408 -5.199 1.00 0.00 C ATOM 734 CD1 LEU A 49 -6.154 2.755 -4.650 1.00 0.00 C ATOM 735 CD2 LEU A 49 -8.136 1.275 -4.373 1.00 0.00 C ATOM 0 H LEU A 49 -8.472 2.636 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.374 5.067 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.008 4.356 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.409 3.338 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.450 2.103 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.504 1.883 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.729 3.576 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.241 3.054 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.494 0.397 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.214 1.586 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.128 1.031 -4.754 1.00 0.00 H new ATOM 747 N LEU A 50 -6.665 5.629 -6.174 1.00 0.00 N ATOM 748 CA LEU A 50 -5.394 6.257 -6.618 1.00 0.00 C ATOM 749 C LEU A 50 -4.229 5.723 -5.777 1.00 0.00 C ATOM 750 O LEU A 50 -4.430 5.054 -4.784 1.00 0.00 O ATOM 751 CB LEU A 50 -5.535 7.765 -6.434 1.00 0.00 C ATOM 752 CG LEU A 50 -4.429 8.498 -7.179 1.00 0.00 C ATOM 753 CD1 LEU A 50 -5.070 9.574 -8.047 1.00 0.00 C ATOM 754 CD2 LEU A 50 -3.479 9.147 -6.167 1.00 0.00 C ATOM 0 H LEU A 50 -6.952 5.860 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.191 6.022 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.508 8.093 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.494 8.013 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.864 7.804 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.294 10.113 -8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.754 9.109 -8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.621 10.271 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.686 9.673 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.033 9.854 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.042 8.376 -5.532 1.00 0.00 H new ATOM 766 N VAL A 51 -3.012 6.001 -6.169 1.00 0.00 N ATOM 767 CA VAL A 51 -1.848 5.492 -5.388 1.00 0.00 C ATOM 768 C VAL A 51 -0.680 6.480 -5.477 1.00 0.00 C ATOM 769 O VAL A 51 -0.497 7.157 -6.469 1.00 0.00 O ATOM 770 CB VAL A 51 -1.420 4.137 -5.957 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.234 3.589 -5.162 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.590 3.157 -5.860 1.00 0.00 C ATOM 0 H VAL A 51 -2.776 6.556 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.135 5.381 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.126 4.261 -6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.065 2.625 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.601 4.286 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.522 3.465 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.289 2.190 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.880 3.039 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.435 3.542 -6.430 1.00 0.00 H new ATOM 782 N ASP A 52 0.118 6.556 -4.444 1.00 0.00 N ATOM 783 CA ASP A 52 1.283 7.484 -4.452 1.00 0.00 C ATOM 784 C ASP A 52 2.445 6.813 -3.716 1.00 0.00 C ATOM 785 O ASP A 52 2.257 5.877 -2.962 1.00 0.00 O ATOM 786 CB ASP A 52 0.908 8.787 -3.742 1.00 0.00 C ATOM 787 CG ASP A 52 -0.131 9.541 -4.574 1.00 0.00 C ATOM 788 OD1 ASP A 52 0.265 10.224 -5.503 1.00 0.00 O ATOM 789 OD2 ASP A 52 -1.306 9.422 -4.267 1.00 0.00 O ATOM 0 H ASP A 52 0.010 6.010 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 52 1.572 7.711 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.509 8.572 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.795 9.405 -3.601 1.00 0.00 H new ATOM 794 N ALA A 53 3.648 7.258 -3.922 1.00 0.00 N ATOM 795 CA ALA A 53 4.774 6.599 -3.218 1.00 0.00 C ATOM 796 C ALA A 53 6.017 7.498 -3.224 1.00 0.00 C ATOM 797 O ALA A 53 6.241 8.264 -4.140 1.00 0.00 O ATOM 798 CB ALA A 53 5.065 5.268 -3.909 1.00 0.00 C ATOM 0 H ALA A 53 3.898 8.034 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 53 4.504 6.421 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.892 4.769 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.179 4.635 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.332 5.449 -4.950 1.00 0.00 H new ATOM 804 N LYS A 54 6.815 7.414 -2.190 1.00 0.00 N ATOM 805 CA LYS A 54 8.039 8.266 -2.104 1.00 0.00 C ATOM 806 C LYS A 54 9.292 7.395 -1.924 1.00 0.00 C ATOM 807 O LYS A 54 9.225 6.249 -1.525 1.00 0.00 O ATOM 808 CB LYS A 54 7.908 9.220 -0.915 1.00 0.00 C ATOM 809 CG LYS A 54 7.642 10.638 -1.424 1.00 0.00 C ATOM 810 CD LYS A 54 8.470 11.636 -0.614 1.00 0.00 C ATOM 811 CE LYS A 54 9.084 12.674 -1.555 1.00 0.00 C ATOM 812 NZ LYS A 54 10.056 13.515 -0.801 1.00 0.00 N ATOM 0 H LYS A 54 6.670 6.788 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 54 8.138 8.834 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.095 8.897 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.820 9.202 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.898 10.710 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.581 10.874 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.841 12.129 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.256 11.114 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.585 12.176 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.301 13.300 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.474 14.221 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.565 14.000 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.809 12.912 -0.412 1.00 0.00 H new ATOM 826 N SER A 55 10.434 7.942 -2.231 1.00 0.00 N ATOM 827 CA SER A 55 11.713 7.179 -2.115 1.00 0.00 C ATOM 828 C SER A 55 11.798 6.385 -0.802 1.00 0.00 C ATOM 829 O SER A 55 11.868 5.175 -0.811 1.00 0.00 O ATOM 830 CB SER A 55 12.884 8.160 -2.179 1.00 0.00 C ATOM 831 OG SER A 55 13.541 8.025 -3.432 1.00 0.00 O ATOM 0 H SER A 55 10.539 8.901 -2.563 1.00 0.00 H new ATOM 0 HA SER A 55 11.752 6.466 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.525 9.181 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.583 7.964 -1.366 1.00 0.00 H new ATOM 0 HG SER A 55 12.945 7.575 -4.067 1.00 0.00 H new ATOM 837 N SER A 56 11.831 7.044 0.323 1.00 0.00 N ATOM 838 CA SER A 56 11.961 6.299 1.612 1.00 0.00 C ATOM 839 C SER A 56 10.594 6.108 2.265 1.00 0.00 C ATOM 840 O SER A 56 10.486 5.966 3.467 1.00 0.00 O ATOM 841 CB SER A 56 12.867 7.084 2.560 1.00 0.00 C ATOM 842 OG SER A 56 12.685 8.476 2.338 1.00 0.00 O ATOM 0 H SER A 56 11.774 8.059 0.408 1.00 0.00 H new ATOM 0 HA SER A 56 12.391 5.319 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.632 6.835 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.909 6.811 2.395 1.00 0.00 H new ATOM 0 HG SER A 56 13.225 8.758 1.570 1.00 0.00 H new ATOM 848 N THR A 57 9.549 6.105 1.494 1.00 0.00 N ATOM 849 CA THR A 57 8.197 5.925 2.096 1.00 0.00 C ATOM 850 C THR A 57 7.175 5.761 0.981 1.00 0.00 C ATOM 851 O THR A 57 7.528 5.553 -0.158 1.00 0.00 O ATOM 852 CB THR A 57 7.860 7.170 2.924 1.00 0.00 C ATOM 853 OG1 THR A 57 6.735 6.918 3.751 1.00 0.00 O ATOM 854 CG2 THR A 57 7.544 8.323 1.980 1.00 0.00 C ATOM 0 H THR A 57 9.567 6.218 0.480 1.00 0.00 H new ATOM 0 HA THR A 57 8.181 5.042 2.734 1.00 0.00 H new ATOM 0 HB THR A 57 8.712 7.424 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.529 7.719 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.303 9.213 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.410 8.525 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.693 8.057 1.353 1.00 0.00 H new ATOM 862 N THR A 58 5.914 5.867 1.288 1.00 0.00 N ATOM 863 CA THR A 58 4.896 5.739 0.219 1.00 0.00 C ATOM 864 C THR A 58 3.495 5.874 0.809 1.00 0.00 C ATOM 865 O THR A 58 3.282 5.668 1.984 1.00 0.00 O ATOM 866 CB THR A 58 5.029 4.379 -0.469 1.00 0.00 C ATOM 867 OG1 THR A 58 4.271 4.386 -1.667 1.00 0.00 O ATOM 868 CG2 THR A 58 4.503 3.285 0.456 1.00 0.00 C ATOM 0 H THR A 58 5.549 6.035 2.226 1.00 0.00 H new ATOM 0 HA THR A 58 5.056 6.532 -0.512 1.00 0.00 H new ATOM 0 HB THR A 58 6.077 4.187 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.393 3.534 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.598 2.317 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.080 3.281 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.454 3.475 0.684 1.00 0.00 H new ATOM 876 N SER A 59 2.537 6.208 -0.009 1.00 0.00 N ATOM 877 CA SER A 59 1.142 6.345 0.489 1.00 0.00 C ATOM 878 C SER A 59 0.206 6.255 -0.699 1.00 0.00 C ATOM 879 O SER A 59 0.517 6.702 -1.783 1.00 0.00 O ATOM 880 CB SER A 59 0.965 7.687 1.199 1.00 0.00 C ATOM 881 OG SER A 59 1.893 7.777 2.272 1.00 0.00 O ATOM 0 H SER A 59 2.661 6.393 -1.004 1.00 0.00 H new ATOM 0 HA SER A 59 0.919 5.552 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.122 8.506 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.054 7.781 1.575 1.00 0.00 H new ATOM 0 HG SER A 59 2.216 6.881 2.501 1.00 0.00 H new ATOM 887 N ILE A 60 -0.927 5.657 -0.530 1.00 0.00 N ATOM 888 CA ILE A 60 -1.824 5.525 -1.692 1.00 0.00 C ATOM 889 C ILE A 60 -3.222 6.047 -1.356 1.00 0.00 C ATOM 890 O ILE A 60 -3.551 6.299 -0.213 1.00 0.00 O ATOM 891 CB ILE A 60 -1.784 4.065 -2.148 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.580 3.168 -1.201 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.317 3.609 -2.124 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.415 1.711 -1.637 1.00 0.00 C ATOM 0 H ILE A 60 -1.267 5.260 0.346 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.495 6.142 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.219 3.990 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.229 3.296 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.633 3.448 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.254 2.569 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.269 4.233 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.076 3.701 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.980 1.064 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.787 1.591 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.360 1.438 -1.601 1.00 0.00 H new ATOM 906 N PHE A 61 -3.993 6.328 -2.369 1.00 0.00 N ATOM 907 CA PHE A 61 -5.318 6.975 -2.154 1.00 0.00 C ATOM 908 C PHE A 61 -6.526 6.092 -2.488 1.00 0.00 C ATOM 909 O PHE A 61 -6.480 5.231 -3.343 1.00 0.00 O ATOM 910 CB PHE A 61 -5.339 8.176 -3.083 1.00 0.00 C ATOM 911 CG PHE A 61 -4.955 9.403 -2.325 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.607 9.667 -2.097 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.936 10.273 -1.859 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.231 10.810 -1.400 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.569 11.421 -1.159 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.212 11.695 -0.927 1.00 0.00 C ATOM 0 H PHE A 61 -3.761 6.136 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.413 7.213 -1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.650 8.019 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.333 8.298 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.854 8.984 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.979 10.059 -2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.186 11.016 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.327 12.099 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.924 12.584 -0.386 1.00 0.00 H new ATOM 926 N PHE A 62 -7.632 6.375 -1.829 1.00 0.00 N ATOM 927 CA PHE A 62 -8.913 5.647 -2.083 1.00 0.00 C ATOM 928 C PHE A 62 -10.068 6.658 -2.024 1.00 0.00 C ATOM 929 O PHE A 62 -11.048 6.412 -1.352 1.00 0.00 O ATOM 930 CB PHE A 62 -9.218 4.613 -0.993 1.00 0.00 C ATOM 931 CG PHE A 62 -8.071 3.670 -0.719 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.798 4.151 -0.388 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.308 2.292 -0.763 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.766 3.249 -0.106 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.278 1.393 -0.483 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.006 1.869 -0.154 1.00 0.00 C ATOM 0 H PHE A 62 -7.696 7.097 -1.111 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.814 5.152 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.478 5.134 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.092 4.033 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.613 5.214 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.291 1.923 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.783 3.617 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.464 0.330 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.208 1.174 0.063 1.00 0.00 H new ATOM 946 N PRO A 63 -9.931 7.763 -2.708 1.00 0.00 N ATOM 947 CA PRO A 63 -10.973 8.808 -2.725 1.00 0.00 C ATOM 948 C PRO A 63 -12.226 8.289 -3.420 1.00 0.00 C ATOM 949 O PRO A 63 -13.298 8.850 -3.308 1.00 0.00 O ATOM 950 CB PRO A 63 -10.317 9.964 -3.484 1.00 0.00 C ATOM 951 CG PRO A 63 -9.170 9.334 -4.301 1.00 0.00 C ATOM 952 CD PRO A 63 -8.755 8.069 -3.533 1.00 0.00 C ATOM 0 HA PRO A 63 -11.303 9.117 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.035 10.460 -4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.938 10.719 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.498 9.088 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.333 10.025 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.516 7.249 -4.210 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.870 8.244 -2.921 1.00 0.00 H new ATOM 960 N SER A 64 -12.095 7.202 -4.113 1.00 0.00 N ATOM 961 CA SER A 64 -13.268 6.600 -4.801 1.00 0.00 C ATOM 962 C SER A 64 -13.326 5.113 -4.446 1.00 0.00 C ATOM 963 O SER A 64 -13.268 4.259 -5.309 1.00 0.00 O ATOM 964 CB SER A 64 -13.115 6.759 -6.315 1.00 0.00 C ATOM 965 OG SER A 64 -14.383 7.052 -6.887 1.00 0.00 O ATOM 0 H SER A 64 -11.218 6.696 -4.236 1.00 0.00 H new ATOM 0 HA SER A 64 -14.184 7.099 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.409 7.559 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.710 5.845 -6.749 1.00 0.00 H new ATOM 0 HG SER A 64 -14.288 7.156 -7.857 1.00 0.00 H new ATOM 971 N ALA A 65 -13.418 4.789 -3.179 1.00 0.00 N ATOM 972 CA ALA A 65 -13.452 3.352 -2.791 1.00 0.00 C ATOM 973 C ALA A 65 -14.865 2.935 -2.384 1.00 0.00 C ATOM 974 O ALA A 65 -15.611 3.692 -1.783 1.00 0.00 O ATOM 975 CB ALA A 65 -12.504 3.110 -1.620 1.00 0.00 C ATOM 0 H ALA A 65 -13.470 5.453 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.140 2.759 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.533 2.057 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.489 3.380 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.812 3.720 -0.771 1.00 0.00 H new ATOM 981 N LYS A 66 -15.223 1.721 -2.704 1.00 0.00 N ATOM 982 CA LYS A 66 -16.570 1.206 -2.351 1.00 0.00 C ATOM 983 C LYS A 66 -16.468 -0.283 -2.008 1.00 0.00 C ATOM 984 O LYS A 66 -15.390 -0.828 -1.911 1.00 0.00 O ATOM 985 CB LYS A 66 -17.514 1.409 -3.538 1.00 0.00 C ATOM 986 CG LYS A 66 -17.250 0.342 -4.604 1.00 0.00 C ATOM 987 CD LYS A 66 -17.425 0.954 -5.995 1.00 0.00 C ATOM 988 CE LYS A 66 -17.365 -0.151 -7.051 1.00 0.00 C ATOM 989 NZ LYS A 66 -17.859 0.378 -8.353 1.00 0.00 N ATOM 0 H LYS A 66 -14.629 1.058 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.960 1.745 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.550 1.352 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.370 2.403 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.241 -0.055 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.937 -0.494 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.379 1.478 -6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.644 1.691 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.342 -0.512 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.971 -1.001 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.818 -0.373 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.842 0.702 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.263 1.176 -8.652 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.582 -0.940 -1.823 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.547 -2.393 -1.482 1.00 0.00 C ATOM 1005 C ARG A 67 -16.483 -3.100 -2.326 1.00 0.00 C ATOM 1006 O ARG A 67 -15.781 -3.971 -1.853 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.917 -3.013 -1.765 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.201 -2.960 -3.267 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.708 -3.075 -3.506 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.213 -4.336 -2.894 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.287 -4.317 -2.153 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -23.355 -3.691 -2.567 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -22.293 -4.924 -0.998 1.00 0.00 N ATOM 0 H ARG A 67 -18.515 -0.534 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.302 -2.509 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.940 -4.045 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.691 -2.475 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.826 -2.026 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.679 -3.770 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.222 -2.217 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.919 -3.067 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.719 -5.214 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -23.350 -3.217 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -24.194 -3.676 -1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.458 -5.413 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.132 -4.909 -0.419 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.362 -2.737 -3.573 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.350 -3.389 -4.446 1.00 0.00 C ATOM 1029 C ALA A 68 -13.959 -3.255 -3.820 1.00 0.00 C ATOM 1030 O ALA A 68 -13.226 -4.216 -3.701 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.356 -2.717 -5.820 1.00 0.00 C ATOM 0 H ALA A 68 -16.923 -2.015 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.595 -4.446 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.615 -3.194 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.344 -2.818 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.114 -1.660 -5.709 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.590 -2.068 -3.424 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.246 -1.867 -2.812 1.00 0.00 C ATOM 1039 C ASP A 69 -12.010 -2.917 -1.725 1.00 0.00 C ATOM 1040 O ASP A 69 -10.887 -3.263 -1.417 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.173 -0.469 -2.192 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.055 0.329 -2.865 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -11.304 0.885 -3.922 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -9.969 0.372 -2.311 1.00 0.00 O ATOM 0 H ASP A 69 -14.162 -1.227 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.481 -1.967 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.126 0.045 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.987 -0.544 -1.121 1.00 0.00 H new ATOM 1049 N SER A 70 -13.059 -3.427 -1.138 1.00 0.00 N ATOM 1050 CA SER A 70 -12.890 -4.453 -0.071 1.00 0.00 C ATOM 1051 C SER A 70 -11.978 -5.573 -0.578 1.00 0.00 C ATOM 1052 O SER A 70 -12.432 -6.543 -1.151 1.00 0.00 O ATOM 1053 CB SER A 70 -14.255 -5.036 0.297 1.00 0.00 C ATOM 1054 OG SER A 70 -15.104 -3.991 0.753 1.00 0.00 O ATOM 0 H SER A 70 -14.025 -3.177 -1.351 1.00 0.00 H new ATOM 0 HA SER A 70 -12.443 -3.990 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.698 -5.529 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.143 -5.794 1.073 1.00 0.00 H new ATOM 0 HG SER A 70 -15.666 -3.679 0.013 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.695 -5.447 -0.373 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.759 -6.506 -0.846 1.00 0.00 C ATOM 1062 C GLY A 71 -8.533 -6.558 0.068 1.00 0.00 C ATOM 1063 O GLY A 71 -8.485 -5.917 1.105 1.00 0.00 O ATOM 0 H GLY A 71 -10.255 -4.658 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.262 -7.473 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.451 -6.301 -1.871 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.532 -7.307 -0.310 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.313 -7.388 0.535 1.00 0.00 C ATOM 1069 C ASN A 72 -5.230 -6.526 -0.099 1.00 0.00 C ATOM 1070 O ASN A 72 -4.660 -6.879 -1.104 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.836 -8.840 0.614 1.00 0.00 C ATOM 1072 CG ASN A 72 -5.859 -9.305 2.071 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -6.527 -8.716 2.897 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -5.153 -10.344 2.423 1.00 0.00 N ATOM 0 H ASN A 72 -7.508 -7.863 -1.165 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.531 -7.034 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.478 -9.479 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.827 -8.925 0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.162 -10.662 3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.592 -10.838 1.729 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.953 -5.389 0.468 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.916 -4.505 -0.125 1.00 0.00 C ATOM 1083 C TYR A 73 -2.545 -4.879 0.440 1.00 0.00 C ATOM 1084 O TYR A 73 -2.187 -4.499 1.537 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.241 -3.047 0.210 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.306 -2.539 -0.737 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.363 -3.376 -1.126 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.237 -1.231 -1.229 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.344 -2.903 -2.004 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.219 -0.760 -2.108 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.273 -1.595 -2.494 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.241 -1.129 -3.359 1.00 0.00 O ATOM 0 H TYR A 73 -5.398 -5.034 1.314 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.901 -4.629 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.587 -2.968 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.343 -2.435 0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.419 -4.386 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.425 -0.584 -0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.157 -3.548 -2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.163 0.249 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.921 -0.637 -2.854 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.774 -5.620 -0.308 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.425 -6.020 0.173 1.00 0.00 C ATOM 1104 C LYS A 74 0.624 -5.174 -0.542 1.00 0.00 C ATOM 1105 O LYS A 74 0.572 -4.989 -1.741 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.186 -7.500 -0.136 1.00 0.00 C ATOM 1107 CG LYS A 74 1.228 -7.891 0.300 1.00 0.00 C ATOM 1108 CD LYS A 74 1.148 -8.946 1.405 1.00 0.00 C ATOM 1109 CE LYS A 74 0.707 -10.282 0.805 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.677 -11.345 1.190 1.00 0.00 N ATOM 0 H LYS A 74 -2.023 -5.966 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.356 -5.865 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.921 -8.114 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.313 -7.685 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.787 -8.281 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.765 -7.013 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.119 -9.055 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.443 -8.630 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.291 -10.540 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.649 -10.204 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.377 -12.253 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.622 -11.099 0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.711 -11.425 2.226 1.00 0.00 H new ATOM 1124 N LEU A 75 1.571 -4.651 0.180 1.00 0.00 N ATOM 1125 CA LEU A 75 2.612 -3.808 -0.465 1.00 0.00 C ATOM 1126 C LEU A 75 3.989 -4.442 -0.254 1.00 0.00 C ATOM 1127 O LEU A 75 4.283 -4.980 0.794 1.00 0.00 O ATOM 1128 CB LEU A 75 2.569 -2.407 0.155 1.00 0.00 C ATOM 1129 CG LEU A 75 3.874 -1.658 -0.120 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.565 -0.331 -0.805 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.582 -1.383 1.206 1.00 0.00 C ATOM 0 H LEU A 75 1.670 -4.770 1.188 1.00 0.00 H new ATOM 0 HA LEU A 75 2.424 -3.734 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.728 -1.847 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.407 -2.484 1.230 1.00 0.00 H new ATOM 0 HG LEU A 75 4.512 -2.262 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.495 0.203 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.049 -0.519 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.929 0.273 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.513 -0.849 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.939 -0.776 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.800 -2.327 1.705 1.00 0.00 H new ATOM 1143 N LYS A 76 4.833 -4.378 -1.246 1.00 0.00 N ATOM 1144 CA LYS A 76 6.194 -4.969 -1.113 1.00 0.00 C ATOM 1145 C LYS A 76 7.205 -4.039 -1.782 1.00 0.00 C ATOM 1146 O LYS A 76 7.156 -3.812 -2.975 1.00 0.00 O ATOM 1147 CB LYS A 76 6.229 -6.337 -1.797 1.00 0.00 C ATOM 1148 CG LYS A 76 7.649 -6.904 -1.732 1.00 0.00 C ATOM 1149 CD LYS A 76 8.173 -7.132 -3.151 1.00 0.00 C ATOM 1150 CE LYS A 76 9.391 -8.057 -3.104 1.00 0.00 C ATOM 1151 NZ LYS A 76 8.948 -9.447 -2.800 1.00 0.00 N ATOM 0 H LYS A 76 4.638 -3.940 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 76 6.442 -5.089 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.532 -7.018 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.910 -6.245 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.303 -6.215 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.652 -7.842 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.393 -7.572 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.444 -6.180 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.917 -8.032 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.093 -7.713 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.655 -10.122 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.845 -9.562 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.034 -9.629 -3.261 1.00 0.00 H new ATOM 1165 N VAL A 77 8.119 -3.491 -1.029 1.00 0.00 N ATOM 1166 CA VAL A 77 9.119 -2.573 -1.640 1.00 0.00 C ATOM 1167 C VAL A 77 10.471 -3.285 -1.753 1.00 0.00 C ATOM 1168 O VAL A 77 10.741 -4.240 -1.054 1.00 0.00 O ATOM 1169 CB VAL A 77 9.238 -1.301 -0.783 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.864 -0.945 -0.209 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.217 -1.517 0.374 1.00 0.00 C ATOM 0 H VAL A 77 8.216 -3.638 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 77 8.796 -2.288 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 77 9.607 -0.492 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.946 -0.044 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.163 -0.770 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.503 -1.768 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.286 -0.605 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.862 -2.333 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.201 -1.767 -0.024 1.00 0.00 H new ATOM 1181 N LYS A 78 11.316 -2.834 -2.642 1.00 0.00 N ATOM 1182 CA LYS A 78 12.643 -3.490 -2.812 1.00 0.00 C ATOM 1183 C LYS A 78 13.696 -2.439 -3.170 1.00 0.00 C ATOM 1184 O LYS A 78 13.378 -1.334 -3.565 1.00 0.00 O ATOM 1185 CB LYS A 78 12.553 -4.525 -3.937 1.00 0.00 C ATOM 1186 CG LYS A 78 13.946 -5.085 -4.236 1.00 0.00 C ATOM 1187 CD LYS A 78 13.811 -6.385 -5.032 1.00 0.00 C ATOM 1188 CE LYS A 78 15.139 -6.703 -5.721 1.00 0.00 C ATOM 1189 NZ LYS A 78 14.874 -7.403 -7.010 1.00 0.00 N ATOM 0 H LYS A 78 11.143 -2.039 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 78 12.927 -3.981 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.880 -5.333 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.135 -4.067 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.529 -4.358 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.483 -5.269 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.529 -7.202 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.018 -6.289 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.697 -5.784 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.756 -7.328 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.776 -7.620 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.359 -8.287 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.302 -6.791 -7.626 1.00 0.00 H new ATOM 1203 N ASN A 79 14.951 -2.775 -3.032 1.00 0.00 N ATOM 1204 CA ASN A 79 16.027 -1.800 -3.361 1.00 0.00 C ATOM 1205 C ASN A 79 17.350 -2.544 -3.556 1.00 0.00 C ATOM 1206 O ASN A 79 18.027 -2.884 -2.607 1.00 0.00 O ATOM 1207 CB ASN A 79 16.173 -0.799 -2.214 1.00 0.00 C ATOM 1208 CG ASN A 79 17.373 0.111 -2.480 1.00 0.00 C ATOM 1209 OD1 ASN A 79 17.440 0.770 -3.604 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 18.260 0.222 -1.657 1.00 0.00 N flip ATOM 0 H ASN A 79 15.276 -3.685 -2.705 1.00 0.00 H new ATOM 0 HA ASN A 79 15.769 -1.271 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.265 -0.203 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.307 -1.328 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.208 -0.293 -0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 79 19.057 0.830 -1.845 1.00 0.00 H new ATOM 1217 N GLU A 80 17.726 -2.794 -4.780 1.00 0.00 N ATOM 1218 CA GLU A 80 19.006 -3.510 -5.038 1.00 0.00 C ATOM 1219 C GLU A 80 18.963 -4.904 -4.399 1.00 0.00 C ATOM 1220 O GLU A 80 18.464 -5.845 -4.983 1.00 0.00 O ATOM 1221 CB GLU A 80 20.163 -2.704 -4.447 1.00 0.00 C ATOM 1222 CG GLU A 80 21.471 -3.478 -4.627 1.00 0.00 C ATOM 1223 CD GLU A 80 21.827 -3.541 -6.114 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.178 -4.287 -6.827 1.00 0.00 O ATOM 1225 OE2 GLU A 80 22.743 -2.841 -6.514 1.00 0.00 O ATOM 0 H GLU A 80 17.200 -2.532 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 80 19.150 -3.619 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.232 -1.734 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.984 -2.513 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.273 -2.992 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.368 -4.485 -4.224 1.00 0.00 H new ATOM 1232 N LEU A 81 19.486 -5.049 -3.209 1.00 0.00 N ATOM 1233 CA LEU A 81 19.473 -6.388 -2.551 1.00 0.00 C ATOM 1234 C LEU A 81 18.630 -6.333 -1.277 1.00 0.00 C ATOM 1235 O LEU A 81 18.270 -7.348 -0.714 1.00 0.00 O ATOM 1236 CB LEU A 81 20.905 -6.798 -2.200 1.00 0.00 C ATOM 1237 CG LEU A 81 21.732 -6.918 -3.481 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.047 -6.155 -3.313 1.00 0.00 C ATOM 1239 CD2 LEU A 81 22.031 -8.393 -3.756 1.00 0.00 C ATOM 0 H LEU A 81 19.919 -4.301 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 81 19.041 -7.119 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.352 -6.060 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.902 -7.749 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 81 21.172 -6.497 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.636 -6.240 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.835 -5.104 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.608 -6.576 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.620 -8.481 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 81 22.591 -8.813 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.095 -8.938 -3.875 1.00 0.00 H new ATOM 1251 N GLY A 82 18.311 -5.158 -0.823 1.00 0.00 N ATOM 1252 CA GLY A 82 17.486 -5.033 0.413 1.00 0.00 C ATOM 1253 C GLY A 82 16.033 -4.764 0.023 1.00 0.00 C ATOM 1254 O GLY A 82 15.744 -3.856 -0.730 1.00 0.00 O ATOM 0 H GLY A 82 18.585 -4.274 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.553 -5.947 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.864 -4.222 1.036 1.00 0.00 H new ATOM 1258 N GLU A 83 15.114 -5.546 0.520 1.00 0.00 N ATOM 1259 CA GLU A 83 13.684 -5.326 0.160 1.00 0.00 C ATOM 1260 C GLU A 83 12.792 -5.549 1.383 1.00 0.00 C ATOM 1261 O GLU A 83 13.046 -6.407 2.205 1.00 0.00 O ATOM 1262 CB GLU A 83 13.270 -6.296 -0.955 1.00 0.00 C ATOM 1263 CG GLU A 83 14.186 -7.523 -0.952 1.00 0.00 C ATOM 1264 CD GLU A 83 14.042 -8.267 0.377 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.951 -8.738 0.654 1.00 0.00 O ATOM 1266 OE2 GLU A 83 15.025 -8.355 1.094 1.00 0.00 O ATOM 0 H GLU A 83 15.290 -6.324 1.156 1.00 0.00 H new ATOM 0 HA GLU A 83 13.566 -4.300 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.235 -6.605 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.323 -5.795 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.929 -8.184 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.222 -7.217 -1.099 1.00 0.00 H new ATOM 1273 N ASP A 84 11.743 -4.780 1.501 1.00 0.00 N ATOM 1274 CA ASP A 84 10.820 -4.935 2.660 1.00 0.00 C ATOM 1275 C ASP A 84 9.395 -5.148 2.142 1.00 0.00 C ATOM 1276 O ASP A 84 9.157 -5.172 0.950 1.00 0.00 O ATOM 1277 CB ASP A 84 10.870 -3.669 3.517 1.00 0.00 C ATOM 1278 CG ASP A 84 11.030 -4.054 4.989 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.183 -4.777 5.487 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.996 -3.618 5.593 1.00 0.00 O ATOM 0 H ASP A 84 11.485 -4.047 0.840 1.00 0.00 H new ATOM 0 HA ASP A 84 11.121 -5.793 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.701 -3.037 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.958 -3.088 3.379 1.00 0.00 H new ATOM 1285 N GLU A 85 8.442 -5.304 3.022 1.00 0.00 N ATOM 1286 CA GLU A 85 7.040 -5.517 2.562 1.00 0.00 C ATOM 1287 C GLU A 85 6.082 -5.439 3.754 1.00 0.00 C ATOM 1288 O GLU A 85 6.356 -5.953 4.820 1.00 0.00 O ATOM 1289 CB GLU A 85 6.927 -6.897 1.908 1.00 0.00 C ATOM 1290 CG GLU A 85 5.467 -7.176 1.537 1.00 0.00 C ATOM 1291 CD GLU A 85 5.206 -8.682 1.591 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.473 -9.274 2.625 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.742 -9.219 0.598 1.00 0.00 O ATOM 0 H GLU A 85 8.573 -5.293 4.034 1.00 0.00 H new ATOM 0 HA GLU A 85 6.777 -4.744 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.553 -6.940 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.292 -7.664 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.800 -6.656 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.255 -6.795 0.538 1.00 0.00 H new ATOM 1300 N ALA A 86 4.955 -4.803 3.575 1.00 0.00 N ATOM 1301 CA ALA A 86 3.971 -4.693 4.688 1.00 0.00 C ATOM 1302 C ALA A 86 2.611 -5.211 4.212 1.00 0.00 C ATOM 1303 O ALA A 86 2.326 -5.238 3.030 1.00 0.00 O ATOM 1304 CB ALA A 86 3.839 -3.229 5.111 1.00 0.00 C ATOM 0 H ALA A 86 4.674 -4.354 2.703 1.00 0.00 H new ATOM 0 HA ALA A 86 4.312 -5.285 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.119 -3.149 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.808 -2.858 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.496 -2.635 4.264 1.00 0.00 H new ATOM 1310 N ILE A 87 1.769 -5.625 5.120 1.00 0.00 N ATOM 1311 CA ILE A 87 0.431 -6.144 4.715 1.00 0.00 C ATOM 1312 C ILE A 87 -0.645 -5.110 5.061 1.00 0.00 C ATOM 1313 O ILE A 87 -0.646 -4.537 6.132 1.00 0.00 O ATOM 1314 CB ILE A 87 0.150 -7.453 5.459 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.015 -8.188 4.786 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.204 -7.155 6.919 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.308 -7.388 4.963 1.00 0.00 C ATOM 0 H ILE A 87 1.950 -5.626 6.124 1.00 0.00 H new ATOM 0 HA ILE A 87 0.419 -6.328 3.641 1.00 0.00 H new ATOM 0 HB ILE A 87 1.040 -8.081 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.805 -8.326 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.129 -9.181 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.403 -8.090 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.629 -6.641 7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.091 -6.522 6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.131 -7.916 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.522 -7.273 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.193 -6.405 4.507 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.562 -4.868 4.164 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.635 -3.874 4.448 1.00 0.00 C ATOM 1331 C PHE A 88 -3.988 -4.426 3.995 1.00 0.00 C ATOM 1332 O PHE A 88 -4.349 -4.328 2.840 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.352 -2.577 3.687 1.00 0.00 C ATOM 1334 CG PHE A 88 -0.916 -2.161 3.891 1.00 0.00 C ATOM 1335 CD1 PHE A 88 0.116 -2.874 3.272 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.619 -1.054 4.695 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.447 -2.481 3.457 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.711 -0.661 4.879 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.744 -1.375 4.260 1.00 0.00 C ATOM 0 H PHE A 88 -1.614 -5.315 3.249 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.658 -3.678 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.551 -2.718 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.020 -1.789 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.114 -3.728 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.416 -0.504 5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.244 -3.032 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.941 0.193 5.499 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.771 -1.072 4.403 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.748 -4.987 4.894 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.085 -5.521 4.505 1.00 0.00 C ATOM 1351 C GLU A 89 -7.061 -4.349 4.425 1.00 0.00 C ATOM 1352 O GLU A 89 -7.262 -3.640 5.387 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.569 -6.520 5.560 1.00 0.00 C ATOM 1354 CG GLU A 89 -5.896 -7.875 5.330 1.00 0.00 C ATOM 1355 CD GLU A 89 -5.273 -8.364 6.639 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -5.773 -7.989 7.687 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -4.308 -9.106 6.572 1.00 0.00 O ATOM 0 H GLU A 89 -4.503 -5.099 5.878 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.022 -6.029 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.335 -6.151 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.652 -6.627 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.626 -8.599 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.129 -7.786 4.561 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.661 -4.120 3.290 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.599 -2.968 3.189 1.00 0.00 C ATOM 1366 C VAL A 90 -10.028 -3.473 3.004 1.00 0.00 C ATOM 1367 O VAL A 90 -10.320 -4.231 2.101 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.191 -2.090 2.004 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.010 -0.799 2.016 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.703 -1.749 2.125 1.00 0.00 C ATOM 0 H VAL A 90 -7.545 -4.672 2.440 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.555 -2.380 4.106 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.374 -2.624 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.718 -0.175 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.070 -1.040 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.826 -0.260 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.404 -1.123 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.527 -1.212 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.117 -2.668 2.120 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.923 -3.054 3.857 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.335 -3.506 3.735 1.00 0.00 C ATOM 1382 C ILE A 91 -13.237 -2.297 3.500 1.00 0.00 C ATOM 1383 O ILE A 91 -12.826 -1.163 3.656 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.763 -4.216 5.017 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.851 -5.419 5.264 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.207 -4.691 4.863 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -12.143 -6.503 4.225 1.00 0.00 C ATOM 0 H ILE A 91 -10.736 -2.418 4.632 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.420 -4.196 2.895 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.689 -3.531 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.806 -5.115 5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.012 -5.810 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.522 -5.200 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.855 -3.833 4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.276 -5.380 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.493 -7.360 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -13.184 -6.814 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.960 -6.108 3.226 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.463 -2.525 3.115 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.382 -1.386 2.859 1.00 0.00 C ATOM 1401 C VAL A 92 -16.742 -1.662 3.502 1.00 0.00 C ATOM 1402 O VAL A 92 -17.263 -2.757 3.434 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.549 -1.215 1.352 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.167 0.153 1.055 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.175 -1.311 0.685 1.00 0.00 C ATOM 0 H VAL A 92 -14.865 -3.451 2.967 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.967 -0.475 3.290 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.204 -1.995 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.285 0.273 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.142 0.224 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.515 0.938 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.284 -1.190 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.526 -0.527 1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.735 -2.285 0.898 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.320 -0.673 4.127 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.647 -0.874 4.775 1.00 0.00 C ATOM 1417 C GLN A 93 -19.331 0.481 4.965 1.00 0.00 C ATOM 1418 O GLN A 93 -20.248 0.553 5.767 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.452 -1.542 6.138 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.970 -2.980 5.939 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.945 -3.701 7.288 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -18.371 -4.835 7.392 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.462 -3.088 8.334 1.00 0.00 N ATOM 1424 OXT GLN A 93 -18.927 1.424 4.305 1.00 0.00 O ATOM 0 H GLN A 93 -16.931 0.266 4.217 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.268 -1.510 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.726 -0.983 6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.389 -1.535 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -18.630 -3.503 5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -16.975 -2.983 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.104 -2.137 8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.442 -3.560 9.238 1.00 0.00 H new TER 1433 GLN A 93