USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 845 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 25 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.4) USER MOD Set 1.2: B 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -118:sc= 0.0575 (180deg=0) USER MOD Single : A 5 SER OG : rot 44:sc= 0.537 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0035) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0254) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.87) USER MOD Single : A 42 HIS : no HE2:sc= 0.603 K(o=0.6,f=-4.5!) USER MOD Single : A 44 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= 0.954 K(o=0.95,f=-0.0032) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0623 USER MOD Single : A 52 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.85) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 55 GLN : amide:sc= -0.779 K(o=-0.78,f=-0.012) USER MOD Single : A 58 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.1) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 62 GLN : amide:sc= -0.945 X(o=-0.94,f=-1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -171:sc= -0.317 (180deg=-0.346) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.34 (180deg=1.23) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 1.6 K(o=1.6,f=-6.2!) USER MOD Single : A 85 SER OG : rot 84:sc= 0.928 USER MOD Single : A 87 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 88 SER OG : rot -30:sc= 0.105 USER MOD Single : B 1 GLY N :NH3+ -176:sc= 0.00323 (180deg=0.00268) USER MOD Single : B 9 SER OG : rot 69:sc= 0.186 USER MOD Single : B 10 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.294 9.583 5.514 1.00 0.00 N ATOM 2 CA ARG A 1 1.278 10.376 4.796 1.00 0.00 C ATOM 3 C ARG A 1 1.444 10.191 3.290 1.00 0.00 C ATOM 4 O ARG A 1 2.548 9.907 2.833 1.00 0.00 O ATOM 5 CB ARG A 1 1.398 11.876 5.116 1.00 0.00 C ATOM 6 CG ARG A 1 1.106 12.244 6.576 1.00 0.00 C ATOM 7 CD ARG A 1 1.211 13.766 6.739 1.00 0.00 C ATOM 8 NE ARG A 1 0.809 14.198 8.086 1.00 0.00 N ATOM 9 CZ ARG A 1 0.817 15.475 8.506 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.276 16.450 7.706 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.359 15.779 9.728 1.00 0.00 N ATOM 0 H1 ARG A 1 1.823 8.871 6.108 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.912 9.106 4.827 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.865 10.212 6.115 1.00 0.00 H new ATOM 0 HA ARG A 1 0.300 10.023 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.406 12.208 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 1 0.712 12.427 4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.110 11.903 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.813 11.745 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.236 14.083 6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 1 0.581 14.256 5.997 1.00 0.00 H new ATOM 0 HE ARG A 1 0.504 13.482 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.621 16.224 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.279 17.417 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.005 15.042 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.364 16.747 10.048 1.00 0.00 H new ATOM 27 N ALA A 2 0.354 10.376 2.539 1.00 0.00 N ATOM 28 CA ALA A 2 0.332 10.290 1.085 1.00 0.00 C ATOM 29 C ALA A 2 -0.630 11.352 0.555 1.00 0.00 C ATOM 30 O ALA A 2 -1.422 11.105 -0.352 1.00 0.00 O ATOM 31 CB ALA A 2 -0.029 8.868 0.637 1.00 0.00 C ATOM 0 H ALA A 2 -0.558 10.595 2.941 1.00 0.00 H new ATOM 0 HA ALA A 2 1.319 10.491 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.041 8.822 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.711 8.166 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.014 8.604 1.022 1.00 0.00 H new ATOM 37 N GLY A 3 -0.553 12.550 1.141 1.00 0.00 N ATOM 38 CA GLY A 3 -1.382 13.689 0.792 1.00 0.00 C ATOM 39 C GLY A 3 -0.727 14.478 -0.333 1.00 0.00 C ATOM 40 O GLY A 3 -0.305 15.611 -0.116 1.00 0.00 O ATOM 0 H GLY A 3 0.108 12.752 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.371 13.350 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.523 14.329 1.663 1.00 0.00 H new ATOM 44 N LEU A 4 -0.653 13.862 -1.523 1.00 0.00 N ATOM 45 CA LEU A 4 -0.058 14.451 -2.732 1.00 0.00 C ATOM 46 C LEU A 4 1.464 14.601 -2.587 1.00 0.00 C ATOM 47 O LEU A 4 1.998 14.654 -1.480 1.00 0.00 O ATOM 48 CB LEU A 4 -0.834 15.728 -3.142 1.00 0.00 C ATOM 49 CG LEU A 4 -0.132 16.803 -3.997 1.00 0.00 C ATOM 50 CD1 LEU A 4 -1.217 17.667 -4.648 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.747 17.721 -3.137 1.00 0.00 C ATOM 0 H LEU A 4 -1.013 12.920 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.169 13.774 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.724 15.409 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.175 16.211 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 4 0.499 16.306 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.749 18.438 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.853 17.042 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.822 18.137 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.226 18.466 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.129 18.223 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.511 17.127 -2.635 1.00 0.00 H new ATOM 63 N SER A 5 2.177 14.656 -3.720 1.00 0.00 N ATOM 64 CA SER A 5 3.617 14.790 -3.771 1.00 0.00 C ATOM 65 C SER A 5 4.070 15.135 -5.191 1.00 0.00 C ATOM 66 O SER A 5 4.276 14.240 -6.011 1.00 0.00 O ATOM 67 CB SER A 5 4.302 13.513 -3.258 1.00 0.00 C ATOM 68 OG SER A 5 3.876 12.388 -4.001 1.00 0.00 O ATOM 0 H SER A 5 1.746 14.606 -4.643 1.00 0.00 H new ATOM 0 HA SER A 5 3.914 15.608 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.384 13.618 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.070 13.368 -2.203 1.00 0.00 H new ATOM 0 HG SER A 5 3.872 12.609 -4.956 1.00 0.00 H new ATOM 74 N LYS A 6 4.232 16.430 -5.477 1.00 0.00 N ATOM 75 CA LYS A 6 4.682 16.923 -6.771 1.00 0.00 C ATOM 76 C LYS A 6 6.183 16.621 -6.897 1.00 0.00 C ATOM 77 O LYS A 6 6.918 16.931 -5.962 1.00 0.00 O ATOM 78 CB LYS A 6 4.466 18.449 -6.800 1.00 0.00 C ATOM 79 CG LYS A 6 3.036 18.928 -6.470 1.00 0.00 C ATOM 80 CD LYS A 6 2.997 20.439 -6.216 1.00 0.00 C ATOM 81 CE LYS A 6 3.573 20.833 -4.846 1.00 0.00 C ATOM 82 NZ LYS A 6 3.433 22.280 -4.592 1.00 0.00 N ATOM 0 H LYS A 6 4.050 17.173 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 6 4.135 16.452 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.156 18.909 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.733 18.817 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.368 18.679 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.668 18.400 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.558 20.948 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.966 20.787 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.062 20.275 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.626 20.555 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.832 22.509 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.942 22.812 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.426 22.540 -4.611 1.00 0.00 H new ATOM 96 N LEU A 7 6.650 16.034 -8.016 1.00 0.00 N ATOM 97 CA LEU A 7 8.056 15.704 -8.244 1.00 0.00 C ATOM 98 C LEU A 7 8.702 15.022 -7.030 1.00 0.00 C ATOM 99 O LEU A 7 9.557 15.620 -6.380 1.00 0.00 O ATOM 100 CB LEU A 7 8.823 16.970 -8.675 1.00 0.00 C ATOM 101 CG LEU A 7 8.322 17.596 -9.989 1.00 0.00 C ATOM 102 CD1 LEU A 7 8.958 18.979 -10.162 1.00 0.00 C ATOM 103 CD2 LEU A 7 8.675 16.729 -11.206 1.00 0.00 C ATOM 0 H LEU A 7 6.045 15.775 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 7 8.108 14.974 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.750 17.713 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.879 16.722 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 7 7.236 17.673 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.607 19.427 -11.091 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.678 19.616 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.043 18.879 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.304 17.206 -12.113 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.757 16.618 -11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.215 15.747 -11.099 1.00 0.00 H new ATOM 115 N PRO A 8 8.300 13.777 -6.716 1.00 0.00 N ATOM 116 CA PRO A 8 8.819 13.030 -5.583 1.00 0.00 C ATOM 117 C PRO A 8 10.253 12.549 -5.854 1.00 0.00 C ATOM 118 O PRO A 8 11.198 13.315 -5.684 1.00 0.00 O ATOM 119 CB PRO A 8 7.798 11.905 -5.362 1.00 0.00 C ATOM 120 CG PRO A 8 7.240 11.636 -6.762 1.00 0.00 C ATOM 121 CD PRO A 8 7.290 13.009 -7.432 1.00 0.00 C ATOM 0 HA PRO A 8 8.919 13.625 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.268 11.016 -4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.012 12.208 -4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.841 10.904 -7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.223 11.245 -6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.547 12.917 -8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.319 13.502 -7.382 1.00 0.00 H new ATOM 129 N ASP A 9 10.427 11.288 -6.268 1.00 0.00 N ATOM 130 CA ASP A 9 11.739 10.713 -6.550 1.00 0.00 C ATOM 131 C ASP A 9 12.305 11.245 -7.872 1.00 0.00 C ATOM 132 O ASP A 9 13.518 11.368 -8.027 1.00 0.00 O ATOM 133 CB ASP A 9 11.669 9.180 -6.535 1.00 0.00 C ATOM 134 CG ASP A 9 13.065 8.581 -6.422 1.00 0.00 C ATOM 135 OD1 ASP A 9 13.724 8.467 -7.476 1.00 0.00 O ATOM 136 OD2 ASP A 9 13.457 8.263 -5.278 1.00 0.00 O ATOM 0 H ASP A 9 9.655 10.638 -6.416 1.00 0.00 H new ATOM 0 HA ASP A 9 12.426 11.021 -5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.055 8.847 -5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.187 8.824 -7.445 1.00 0.00 H new ATOM 141 N LEU A 10 11.422 11.573 -8.829 1.00 0.00 N ATOM 142 CA LEU A 10 11.722 12.129 -10.141 1.00 0.00 C ATOM 143 C LEU A 10 12.370 11.144 -11.120 1.00 0.00 C ATOM 144 O LEU A 10 12.253 11.327 -12.331 1.00 0.00 O ATOM 145 CB LEU A 10 12.541 13.424 -9.947 1.00 0.00 C ATOM 146 CG LEU A 10 11.969 14.740 -10.498 1.00 0.00 C ATOM 147 CD1 LEU A 10 12.885 15.841 -9.987 1.00 0.00 C ATOM 148 CD2 LEU A 10 11.959 14.724 -12.027 1.00 0.00 C ATOM 0 H LEU A 10 10.420 11.446 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 10 10.777 12.364 -10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.706 13.556 -8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.519 13.270 -10.404 1.00 0.00 H new ATOM 0 HG LEU A 10 10.940 14.892 -10.173 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.529 16.806 -10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.885 15.838 -8.897 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.898 15.669 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.551 15.664 -12.398 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.977 14.600 -12.396 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.342 13.897 -12.378 1.00 0.00 H new ATOM 160 N LYS A 11 13.037 10.103 -10.619 1.00 0.00 N ATOM 161 CA LYS A 11 13.682 9.091 -11.447 1.00 0.00 C ATOM 162 C LYS A 11 12.666 8.286 -12.260 1.00 0.00 C ATOM 163 O LYS A 11 12.979 7.866 -13.374 1.00 0.00 O ATOM 164 CB LYS A 11 14.486 8.123 -10.567 1.00 0.00 C ATOM 165 CG LYS A 11 15.629 8.778 -9.775 1.00 0.00 C ATOM 166 CD LYS A 11 16.918 8.939 -10.594 1.00 0.00 C ATOM 167 CE LYS A 11 17.928 9.778 -9.803 1.00 0.00 C ATOM 168 NZ LYS A 11 19.217 9.902 -10.510 1.00 0.00 N ATOM 0 H LYS A 11 13.144 9.940 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 11 14.342 9.615 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.806 7.640 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.902 7.339 -11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.304 9.758 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.841 8.177 -8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.341 7.961 -10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.698 9.420 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.515 10.771 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.092 9.322 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.871 10.477 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.625 8.957 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.065 10.360 -11.431 1.00 0.00 H new ATOM 182 N ASP A 12 11.465 8.058 -11.716 1.00 0.00 N ATOM 183 CA ASP A 12 10.447 7.264 -12.388 1.00 0.00 C ATOM 184 C ASP A 12 9.737 8.095 -13.455 1.00 0.00 C ATOM 185 O ASP A 12 9.437 9.273 -13.257 1.00 0.00 O ATOM 186 CB ASP A 12 9.417 6.744 -11.387 1.00 0.00 C ATOM 187 CG ASP A 12 10.054 5.989 -10.229 1.00 0.00 C ATOM 188 OD1 ASP A 12 10.305 4.777 -10.403 1.00 0.00 O ATOM 189 OD2 ASP A 12 10.280 6.647 -9.190 1.00 0.00 O ATOM 0 H ASP A 12 11.179 8.418 -10.805 1.00 0.00 H new ATOM 0 HA ASP A 12 10.944 6.417 -12.861 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.841 7.582 -10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.715 6.087 -11.902 1.00 0.00 H new ATOM 194 N ALA A 13 9.477 7.453 -14.595 1.00 0.00 N ATOM 195 CA ALA A 13 8.829 8.055 -15.749 1.00 0.00 C ATOM 196 C ALA A 13 7.349 8.272 -15.484 1.00 0.00 C ATOM 197 O ALA A 13 6.804 9.324 -15.797 1.00 0.00 O ATOM 198 CB ALA A 13 9.055 7.184 -16.987 1.00 0.00 C ATOM 0 H ALA A 13 9.720 6.473 -14.740 1.00 0.00 H new ATOM 0 HA ALA A 13 9.272 9.033 -15.934 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.567 7.641 -17.848 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.124 7.097 -17.180 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.635 6.193 -16.816 1.00 0.00 H new ATOM 204 N GLU A 14 6.715 7.264 -14.897 1.00 0.00 N ATOM 205 CA GLU A 14 5.309 7.244 -14.545 1.00 0.00 C ATOM 206 C GLU A 14 4.982 8.384 -13.578 1.00 0.00 C ATOM 207 O GLU A 14 3.958 9.046 -13.714 1.00 0.00 O ATOM 208 CB GLU A 14 4.960 5.876 -13.938 1.00 0.00 C ATOM 209 CG GLU A 14 5.324 4.707 -14.872 1.00 0.00 C ATOM 210 CD GLU A 14 6.660 4.048 -14.528 1.00 0.00 C ATOM 211 OE1 GLU A 14 7.692 4.750 -14.615 1.00 0.00 O ATOM 212 OE2 GLU A 14 6.626 2.847 -14.187 1.00 0.00 O ATOM 0 H GLU A 14 7.194 6.400 -14.644 1.00 0.00 H new ATOM 0 HA GLU A 14 4.705 7.394 -15.440 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.486 5.757 -12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.893 5.842 -13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.535 3.956 -14.827 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.360 5.070 -15.899 1.00 0.00 H new ATOM 219 N ALA A 15 5.864 8.617 -12.602 1.00 0.00 N ATOM 220 CA ALA A 15 5.704 9.671 -11.606 1.00 0.00 C ATOM 221 C ALA A 15 5.864 11.041 -12.258 1.00 0.00 C ATOM 222 O ALA A 15 5.183 12.000 -11.888 1.00 0.00 O ATOM 223 CB ALA A 15 6.733 9.501 -10.486 1.00 0.00 C ATOM 0 H ALA A 15 6.717 8.071 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 15 4.704 9.598 -11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.603 10.294 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.592 8.533 -10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.738 9.555 -10.904 1.00 0.00 H new ATOM 229 N VAL A 16 6.766 11.121 -13.241 1.00 0.00 N ATOM 230 CA VAL A 16 7.014 12.354 -13.977 1.00 0.00 C ATOM 231 C VAL A 16 5.797 12.614 -14.852 1.00 0.00 C ATOM 232 O VAL A 16 5.374 13.759 -14.978 1.00 0.00 O ATOM 233 CB VAL A 16 8.344 12.302 -14.760 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.283 12.742 -16.225 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.464 13.004 -14.011 1.00 0.00 C ATOM 0 H VAL A 16 7.340 10.334 -13.544 1.00 0.00 H new ATOM 0 HA VAL A 16 7.143 13.193 -13.294 1.00 0.00 H new ATOM 0 HB VAL A 16 8.567 11.237 -14.819 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.275 12.663 -16.670 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.589 12.101 -16.769 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.942 13.776 -16.281 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.383 12.946 -14.594 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.198 14.050 -13.855 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.615 12.521 -13.046 1.00 0.00 H new ATOM 245 N GLN A 17 5.222 11.556 -15.438 1.00 0.00 N ATOM 246 CA GLN A 17 4.042 11.686 -16.275 1.00 0.00 C ATOM 247 C GLN A 17 2.878 12.164 -15.420 1.00 0.00 C ATOM 248 O GLN A 17 2.129 13.035 -15.851 1.00 0.00 O ATOM 249 CB GLN A 17 3.708 10.394 -17.039 1.00 0.00 C ATOM 250 CG GLN A 17 2.736 10.694 -18.189 1.00 0.00 C ATOM 251 CD GLN A 17 2.587 9.504 -19.134 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.392 9.340 -20.048 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.555 8.685 -18.935 1.00 0.00 N ATOM 0 H GLN A 17 5.564 10.600 -15.342 1.00 0.00 H new ATOM 0 HA GLN A 17 4.247 12.427 -17.047 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.622 9.949 -17.432 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.265 9.665 -16.360 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.760 10.957 -17.780 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.091 11.559 -18.748 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.909 8.856 -18.164 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.411 7.887 -19.553 1.00 0.00 H new ATOM 262 N LYS A 18 2.741 11.607 -14.209 1.00 0.00 N ATOM 263 CA LYS A 18 1.672 11.985 -13.291 1.00 0.00 C ATOM 264 C LYS A 18 1.733 13.484 -13.001 1.00 0.00 C ATOM 265 O LYS A 18 0.765 14.201 -13.243 1.00 0.00 O ATOM 266 CB LYS A 18 1.738 11.158 -11.996 1.00 0.00 C ATOM 267 CG LYS A 18 1.254 9.709 -12.176 1.00 0.00 C ATOM 268 CD LYS A 18 -0.267 9.527 -12.036 1.00 0.00 C ATOM 269 CE LYS A 18 -0.812 9.719 -10.610 1.00 0.00 C ATOM 270 NZ LYS A 18 -0.309 8.701 -9.667 1.00 0.00 N ATOM 0 H LYS A 18 3.366 10.888 -13.845 1.00 0.00 H new ATOM 0 HA LYS A 18 0.714 11.769 -13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.765 11.148 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.132 11.644 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.561 9.355 -13.160 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.753 9.078 -11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.766 10.234 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.532 8.527 -12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.536 10.710 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.901 9.680 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.771 8.825 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.520 7.752 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.720 8.808 -9.556 1.00 0.00 H new ATOM 284 N PHE A 19 2.873 13.956 -12.493 1.00 0.00 N ATOM 285 CA PHE A 19 3.058 15.367 -12.178 1.00 0.00 C ATOM 286 C PHE A 19 2.928 16.256 -13.429 1.00 0.00 C ATOM 287 O PHE A 19 2.293 17.309 -13.387 1.00 0.00 O ATOM 288 CB PHE A 19 4.404 15.582 -11.466 1.00 0.00 C ATOM 289 CG PHE A 19 4.878 17.012 -11.613 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.654 17.350 -12.733 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.525 18.004 -10.678 1.00 0.00 C ATOM 292 CE1 PHE A 19 6.066 18.672 -12.920 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.953 19.332 -10.870 1.00 0.00 C ATOM 294 CZ PHE A 19 5.725 19.660 -12.000 1.00 0.00 C ATOM 0 H PHE A 19 3.686 13.374 -12.291 1.00 0.00 H new ATOM 0 HA PHE A 19 2.261 15.669 -11.499 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.303 15.336 -10.409 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.150 14.904 -11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.932 16.590 -13.448 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.928 17.747 -9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.655 18.930 -13.787 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.690 20.096 -10.153 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.053 20.678 -12.154 1.00 0.00 H new ATOM 304 N PHE A 20 3.545 15.847 -14.544 1.00 0.00 N ATOM 305 CA PHE A 20 3.523 16.608 -15.794 1.00 0.00 C ATOM 306 C PHE A 20 2.062 16.877 -16.170 1.00 0.00 C ATOM 307 O PHE A 20 1.668 18.021 -16.405 1.00 0.00 O ATOM 308 CB PHE A 20 4.288 15.825 -16.866 1.00 0.00 C ATOM 309 CG PHE A 20 4.132 16.239 -18.309 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.715 17.435 -18.754 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.427 15.418 -19.212 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.602 17.810 -20.100 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.319 15.795 -20.559 1.00 0.00 C ATOM 314 CZ PHE A 20 3.912 16.988 -21.001 1.00 0.00 C ATOM 0 H PHE A 20 4.074 14.977 -14.603 1.00 0.00 H new ATOM 0 HA PHE A 20 4.019 17.573 -15.691 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.349 15.875 -16.620 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.992 14.779 -16.787 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.250 18.066 -18.060 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.971 14.501 -18.868 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.047 18.733 -20.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.781 15.168 -21.255 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.836 17.274 -22.040 1.00 0.00 H new ATOM 324 N LEU A 21 1.250 15.812 -16.178 1.00 0.00 N ATOM 325 CA LEU A 21 -0.174 15.903 -16.443 1.00 0.00 C ATOM 326 C LEU A 21 -0.859 16.721 -15.359 1.00 0.00 C ATOM 327 O LEU A 21 -1.764 17.476 -15.687 1.00 0.00 O ATOM 328 CB LEU A 21 -0.810 14.504 -16.551 1.00 0.00 C ATOM 329 CG LEU A 21 -1.208 14.039 -17.964 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.508 12.536 -17.871 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.436 14.829 -18.435 1.00 0.00 C ATOM 0 H LEU A 21 1.574 14.862 -15.999 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.311 16.405 -17.401 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.110 13.778 -16.137 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.700 14.484 -15.922 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.412 14.214 -18.688 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.796 12.161 -18.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.619 12.008 -17.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.323 12.371 -17.166 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.718 14.500 -19.435 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.265 14.656 -17.749 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.198 15.893 -18.456 1.00 0.00 H new ATOM 343 N GLU A 22 -0.444 16.612 -14.094 1.00 0.00 N ATOM 344 CA GLU A 22 -1.039 17.409 -13.026 1.00 0.00 C ATOM 345 C GLU A 22 -0.946 18.895 -13.383 1.00 0.00 C ATOM 346 O GLU A 22 -1.880 19.640 -13.113 1.00 0.00 O ATOM 347 CB GLU A 22 -0.382 17.116 -11.666 1.00 0.00 C ATOM 348 CG GLU A 22 -1.115 17.784 -10.496 1.00 0.00 C ATOM 349 CD GLU A 22 -0.454 17.414 -9.171 1.00 0.00 C ATOM 350 OE1 GLU A 22 0.630 17.974 -8.901 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.032 16.565 -8.456 1.00 0.00 O ATOM 0 H GLU A 22 0.298 15.982 -13.789 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.090 17.134 -12.931 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.356 16.038 -11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.652 17.460 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.106 18.866 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.159 17.472 -10.488 1.00 0.00 H new ATOM 358 N GLU A 23 0.160 19.331 -14.001 1.00 0.00 N ATOM 359 CA GLU A 23 0.366 20.722 -14.389 1.00 0.00 C ATOM 360 C GLU A 23 -0.426 21.061 -15.653 1.00 0.00 C ATOM 361 O GLU A 23 -1.085 22.100 -15.684 1.00 0.00 O ATOM 362 CB GLU A 23 1.856 21.050 -14.437 1.00 0.00 C ATOM 363 CG GLU A 23 2.388 21.047 -12.989 1.00 0.00 C ATOM 364 CD GLU A 23 2.977 22.388 -12.563 1.00 0.00 C ATOM 365 OE1 GLU A 23 2.272 23.404 -12.743 1.00 0.00 O ATOM 366 OE2 GLU A 23 4.113 22.375 -12.043 1.00 0.00 O ATOM 0 H GLU A 23 0.939 18.719 -14.245 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.042 21.387 -13.628 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.389 20.316 -15.041 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.018 22.023 -14.901 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.577 20.782 -12.311 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.151 20.275 -12.891 1.00 0.00 H new ATOM 373 N ILE A 24 -0.408 20.184 -16.669 1.00 0.00 N ATOM 374 CA ILE A 24 -1.214 20.371 -17.890 1.00 0.00 C ATOM 375 C ILE A 24 -2.681 20.596 -17.447 1.00 0.00 C ATOM 376 O ILE A 24 -3.351 21.529 -17.902 1.00 0.00 O ATOM 377 CB ILE A 24 -1.056 19.160 -18.886 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.043 19.328 -19.977 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.374 18.669 -19.513 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.288 18.665 -21.323 1.00 0.00 C ATOM 0 H ILE A 24 0.157 19.335 -16.671 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.866 21.240 -18.448 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.703 18.375 -18.217 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.213 20.392 -20.143 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.977 18.911 -19.601 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.169 17.835 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.053 18.343 -18.725 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.835 19.482 -20.075 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.531 18.832 -22.022 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.427 17.594 -21.176 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.203 19.098 -21.727 1.00 0.00 H new ATOM 392 N GLN A 25 -3.155 19.730 -16.539 1.00 0.00 N ATOM 393 CA GLN A 25 -4.506 19.726 -15.987 1.00 0.00 C ATOM 394 C GLN A 25 -4.794 21.000 -15.195 1.00 0.00 C ATOM 395 O GLN A 25 -5.698 21.758 -15.538 1.00 0.00 O ATOM 396 CB GLN A 25 -4.704 18.493 -15.081 1.00 0.00 C ATOM 397 CG GLN A 25 -4.681 17.143 -15.812 1.00 0.00 C ATOM 398 CD GLN A 25 -6.078 16.663 -16.184 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.837 16.219 -15.327 1.00 0.00 O ATOM 400 NE2 GLN A 25 -6.419 16.737 -17.466 1.00 0.00 N ATOM 0 H GLN A 25 -2.576 18.982 -16.156 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.205 19.683 -16.822 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.924 18.491 -14.320 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.657 18.592 -14.561 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.077 17.232 -16.715 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.200 16.398 -15.179 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.760 17.112 -18.148 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.340 16.419 -17.768 1.00 0.00 H new ATOM 409 N LEU A 26 -4.019 21.200 -14.127 1.00 0.00 N ATOM 410 CA LEU A 26 -4.103 22.320 -13.189 1.00 0.00 C ATOM 411 C LEU A 26 -4.154 23.636 -13.962 1.00 0.00 C ATOM 412 O LEU A 26 -5.075 24.425 -13.759 1.00 0.00 O ATOM 413 CB LEU A 26 -2.931 22.226 -12.191 1.00 0.00 C ATOM 414 CG LEU A 26 -2.792 23.207 -11.024 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.858 24.675 -11.421 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.807 22.884 -9.939 1.00 0.00 C ATOM 0 H LEU A 26 -3.275 20.548 -13.880 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.021 22.278 -12.603 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.961 21.225 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.013 22.295 -12.774 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.784 23.067 -10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.751 25.297 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.053 24.899 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.818 24.881 -11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.696 23.590 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.814 22.960 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.639 21.871 -9.574 1.00 0.00 H new ATOM 428 N GLY A 27 -3.186 23.871 -14.856 1.00 0.00 N ATOM 429 CA GLY A 27 -3.152 25.081 -15.664 1.00 0.00 C ATOM 430 C GLY A 27 -4.437 25.200 -16.462 1.00 0.00 C ATOM 431 O GLY A 27 -5.208 26.121 -16.211 1.00 0.00 O ATOM 0 H GLY A 27 -2.413 23.229 -15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.028 25.954 -15.023 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.295 25.056 -16.338 1.00 0.00 H new ATOM 435 N GLU A 28 -4.687 24.283 -17.407 1.00 0.00 N ATOM 436 CA GLU A 28 -5.908 24.353 -18.204 1.00 0.00 C ATOM 437 C GLU A 28 -7.195 24.555 -17.383 1.00 0.00 C ATOM 438 O GLU A 28 -8.118 25.224 -17.849 1.00 0.00 O ATOM 439 CB GLU A 28 -5.955 23.169 -19.166 1.00 0.00 C ATOM 440 CG GLU A 28 -4.891 23.354 -20.260 1.00 0.00 C ATOM 441 CD GLU A 28 -5.289 24.419 -21.281 1.00 0.00 C ATOM 442 OE1 GLU A 28 -6.400 24.288 -21.842 1.00 0.00 O ATOM 443 OE2 GLU A 28 -4.483 25.355 -21.474 1.00 0.00 O ATOM 0 H GLU A 28 -4.071 23.501 -17.631 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.868 25.267 -18.796 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.777 22.240 -18.625 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.945 23.092 -19.616 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.943 23.632 -19.799 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.730 22.405 -20.772 1.00 0.00 H new ATOM 450 N GLU A 29 -7.258 24.022 -16.159 1.00 0.00 N ATOM 451 CA GLU A 29 -8.403 24.204 -15.269 1.00 0.00 C ATOM 452 C GLU A 29 -8.417 25.624 -14.691 1.00 0.00 C ATOM 453 O GLU A 29 -9.472 26.251 -14.656 1.00 0.00 O ATOM 454 CB GLU A 29 -8.454 23.111 -14.199 1.00 0.00 C ATOM 455 CG GLU A 29 -9.629 23.306 -13.228 1.00 0.00 C ATOM 456 CD GLU A 29 -9.875 22.090 -12.341 1.00 0.00 C ATOM 457 OE1 GLU A 29 -9.055 21.148 -12.385 1.00 0.00 O ATOM 458 OE2 GLU A 29 -10.914 22.084 -11.645 1.00 0.00 O ATOM 0 H GLU A 29 -6.513 23.451 -15.759 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.320 24.096 -15.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.540 22.137 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.519 23.108 -13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.433 24.174 -12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.533 23.522 -13.798 1.00 0.00 H new ATOM 465 N LEU A 30 -7.277 26.176 -14.258 1.00 0.00 N ATOM 466 CA LEU A 30 -7.267 27.550 -13.764 1.00 0.00 C ATOM 467 C LEU A 30 -7.628 28.496 -14.902 1.00 0.00 C ATOM 468 O LEU A 30 -8.336 29.477 -14.689 1.00 0.00 O ATOM 469 CB LEU A 30 -5.929 27.952 -13.133 1.00 0.00 C ATOM 470 CG LEU A 30 -5.662 27.388 -11.733 1.00 0.00 C ATOM 471 CD1 LEU A 30 -4.276 27.867 -11.279 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.698 27.836 -10.692 1.00 0.00 C ATOM 0 H LEU A 30 -6.373 25.703 -14.241 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.009 27.618 -12.969 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.124 27.630 -13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.884 29.040 -13.082 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.722 26.302 -11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.064 27.477 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.520 27.508 -11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.258 28.957 -11.253 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.451 27.402 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.690 28.923 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.689 27.501 -10.998 1.00 0.00 H new ATOM 484 N LEU A 31 -7.182 28.195 -16.122 1.00 0.00 N ATOM 485 CA LEU A 31 -7.532 28.988 -17.297 1.00 0.00 C ATOM 486 C LEU A 31 -9.025 28.869 -17.543 1.00 0.00 C ATOM 487 O LEU A 31 -9.655 29.836 -17.967 1.00 0.00 O ATOM 488 CB LEU A 31 -6.720 28.502 -18.479 1.00 0.00 C ATOM 489 CG LEU A 31 -5.264 28.972 -18.389 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.673 29.237 -16.996 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.447 27.913 -19.113 1.00 0.00 C ATOM 0 H LEU A 31 -6.573 27.401 -16.321 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.300 30.042 -17.143 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.750 27.413 -18.520 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.166 28.869 -19.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.230 29.966 -18.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.637 29.562 -17.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.251 30.015 -16.497 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.710 28.322 -16.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.392 28.186 -19.087 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.584 26.949 -18.623 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.778 27.843 -20.149 1.00 0.00 H new ATOM 503 N ALA A 32 -9.595 27.705 -17.218 1.00 0.00 N ATOM 504 CA ALA A 32 -11.033 27.513 -17.289 1.00 0.00 C ATOM 505 C ALA A 32 -11.743 28.513 -16.364 1.00 0.00 C ATOM 506 O ALA A 32 -12.906 28.838 -16.595 1.00 0.00 O ATOM 507 CB ALA A 32 -11.426 26.063 -16.986 1.00 0.00 C ATOM 0 H ALA A 32 -9.076 26.885 -16.904 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.360 27.709 -18.310 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.509 25.959 -17.049 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.955 25.399 -17.711 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.094 25.798 -15.982 1.00 0.00 H new ATOM 513 N GLN A 33 -11.033 29.024 -15.346 1.00 0.00 N ATOM 514 CA GLN A 33 -11.519 30.037 -14.421 1.00 0.00 C ATOM 515 C GLN A 33 -11.173 31.414 -15.002 1.00 0.00 C ATOM 516 O GLN A 33 -11.945 32.362 -14.867 1.00 0.00 O ATOM 517 CB GLN A 33 -10.902 29.804 -13.030 1.00 0.00 C ATOM 518 CG GLN A 33 -11.995 29.693 -11.963 1.00 0.00 C ATOM 519 CD GLN A 33 -11.397 29.450 -10.582 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.494 30.300 -9.700 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.772 28.289 -10.386 1.00 0.00 N ATOM 0 H GLN A 33 -10.077 28.729 -15.145 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.600 29.980 -14.296 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.304 28.893 -13.040 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.229 30.625 -12.784 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.587 30.608 -11.949 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.673 28.878 -12.217 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.712 27.608 -11.143 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.354 28.082 -9.479 1.00 0.00 H new ATOM 530 N GLY A 34 -10.015 31.496 -15.666 1.00 0.00 N ATOM 531 CA GLY A 34 -9.480 32.664 -16.347 1.00 0.00 C ATOM 532 C GLY A 34 -8.064 33.036 -15.909 1.00 0.00 C ATOM 533 O GLY A 34 -7.618 34.130 -16.249 1.00 0.00 O ATOM 0 H GLY A 34 -9.392 30.692 -15.743 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.482 32.480 -17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.141 33.512 -16.168 1.00 0.00 H new ATOM 537 N ASP A 35 -7.344 32.180 -15.162 1.00 0.00 N ATOM 538 CA ASP A 35 -6.003 32.546 -14.679 1.00 0.00 C ATOM 539 C ASP A 35 -4.851 32.269 -15.662 1.00 0.00 C ATOM 540 O ASP A 35 -3.862 31.624 -15.320 1.00 0.00 O ATOM 541 CB ASP A 35 -5.741 31.990 -13.267 1.00 0.00 C ATOM 542 CG ASP A 35 -4.871 32.947 -12.452 1.00 0.00 C ATOM 543 OD1 ASP A 35 -4.067 33.675 -13.074 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.975 32.905 -11.205 1.00 0.00 O ATOM 0 H ASP A 35 -7.660 31.251 -14.885 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.013 33.634 -14.610 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.689 31.829 -12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.250 31.020 -13.340 1.00 0.00 H new ATOM 549 N TYR A 36 -4.978 32.780 -16.890 1.00 0.00 N ATOM 550 CA TYR A 36 -4.037 32.701 -18.010 1.00 0.00 C ATOM 551 C TYR A 36 -2.581 32.890 -17.602 1.00 0.00 C ATOM 552 O TYR A 36 -1.700 32.179 -18.086 1.00 0.00 O ATOM 553 CB TYR A 36 -4.460 33.716 -19.079 1.00 0.00 C ATOM 554 CG TYR A 36 -5.952 33.752 -19.360 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.609 32.605 -19.843 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.687 34.930 -19.129 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.991 32.633 -20.090 1.00 0.00 C ATOM 558 CE2 TYR A 36 -8.070 34.958 -19.377 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.722 33.811 -19.855 1.00 0.00 C ATOM 560 OH TYR A 36 -10.065 33.842 -20.089 1.00 0.00 O ATOM 0 H TYR A 36 -5.814 33.305 -17.148 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.082 31.690 -18.414 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.138 34.709 -18.766 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.934 33.488 -20.006 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.048 31.700 -20.024 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.187 35.814 -18.761 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.492 31.751 -20.460 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.632 35.863 -19.200 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.414 34.732 -19.873 1.00 0.00 H new ATOM 570 N GLU A 37 -2.339 33.846 -16.712 1.00 0.00 N ATOM 571 CA GLU A 37 -1.007 34.164 -16.224 1.00 0.00 C ATOM 572 C GLU A 37 -0.397 32.989 -15.469 1.00 0.00 C ATOM 573 O GLU A 37 0.800 32.732 -15.588 1.00 0.00 O ATOM 574 CB GLU A 37 -1.004 35.476 -15.437 1.00 0.00 C ATOM 575 CG GLU A 37 -1.565 36.603 -16.317 1.00 0.00 C ATOM 576 CD GLU A 37 -1.162 37.977 -15.803 1.00 0.00 C ATOM 577 OE1 GLU A 37 -0.055 38.413 -16.192 1.00 0.00 O ATOM 578 OE2 GLU A 37 -1.963 38.573 -15.052 1.00 0.00 O ATOM 0 H GLU A 37 -3.072 34.427 -16.306 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.354 34.332 -17.080 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.605 35.372 -14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.010 35.719 -15.119 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.207 36.478 -17.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.652 36.532 -16.349 1.00 0.00 H new ATOM 585 N LYS A 38 -1.229 32.257 -14.729 1.00 0.00 N ATOM 586 CA LYS A 38 -0.779 31.062 -14.026 1.00 0.00 C ATOM 587 C LYS A 38 -0.545 29.977 -15.060 1.00 0.00 C ATOM 588 O LYS A 38 0.413 29.220 -14.949 1.00 0.00 O ATOM 589 CB LYS A 38 -1.793 30.536 -13.008 1.00 0.00 C ATOM 590 CG LYS A 38 -2.135 31.517 -11.894 1.00 0.00 C ATOM 591 CD LYS A 38 -1.270 31.334 -10.648 1.00 0.00 C ATOM 592 CE LYS A 38 -1.612 32.411 -9.608 1.00 0.00 C ATOM 593 NZ LYS A 38 -3.062 32.514 -9.323 1.00 0.00 N ATOM 0 H LYS A 38 -2.218 32.473 -14.602 1.00 0.00 H new ATOM 0 HA LYS A 38 0.124 31.326 -13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.710 30.267 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.401 29.622 -12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.016 32.535 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.184 31.397 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.433 30.343 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.215 31.397 -10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.082 32.192 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.249 33.376 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.210 33.118 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.548 32.930 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.447 31.566 -9.136 1.00 0.00 H new ATOM 607 N GLY A 39 -1.420 29.908 -16.070 1.00 0.00 N ATOM 608 CA GLY A 39 -1.305 28.933 -17.140 1.00 0.00 C ATOM 609 C GLY A 39 0.052 29.007 -17.799 1.00 0.00 C ATOM 610 O GLY A 39 0.608 27.974 -18.153 1.00 0.00 O ATOM 0 H GLY A 39 -2.224 30.529 -16.161 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.465 27.931 -16.742 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.083 29.109 -17.882 1.00 0.00 H new ATOM 614 N VAL A 40 0.587 30.221 -17.963 1.00 0.00 N ATOM 615 CA VAL A 40 1.889 30.370 -18.580 1.00 0.00 C ATOM 616 C VAL A 40 2.930 29.629 -17.739 1.00 0.00 C ATOM 617 O VAL A 40 3.724 28.873 -18.287 1.00 0.00 O ATOM 618 CB VAL A 40 2.251 31.857 -18.785 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.690 31.956 -19.294 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.333 32.580 -19.790 1.00 0.00 C ATOM 0 H VAL A 40 0.141 31.094 -17.680 1.00 0.00 H new ATOM 0 HA VAL A 40 1.870 29.926 -19.575 1.00 0.00 H new ATOM 0 HB VAL A 40 2.125 32.344 -17.818 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.953 33.004 -19.441 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.366 31.512 -18.563 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.778 31.423 -20.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.645 33.620 -19.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.401 32.091 -20.762 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.303 32.541 -19.435 1.00 0.00 H new ATOM 630 N ASP A 41 2.917 29.836 -16.420 1.00 0.00 N ATOM 631 CA ASP A 41 3.858 29.210 -15.498 1.00 0.00 C ATOM 632 C ASP A 41 3.665 27.698 -15.451 1.00 0.00 C ATOM 633 O ASP A 41 4.619 26.939 -15.577 1.00 0.00 O ATOM 634 CB ASP A 41 3.759 29.824 -14.093 1.00 0.00 C ATOM 635 CG ASP A 41 4.776 29.181 -13.155 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.978 29.469 -13.339 1.00 0.00 O ATOM 637 OD2 ASP A 41 4.338 28.400 -12.284 1.00 0.00 O ATOM 0 H ASP A 41 2.244 30.450 -15.961 1.00 0.00 H new ATOM 0 HA ASP A 41 4.862 29.405 -15.874 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.934 30.899 -14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.753 29.684 -13.699 1.00 0.00 H new ATOM 642 N HIS A 42 2.424 27.258 -15.272 1.00 0.00 N ATOM 643 CA HIS A 42 2.070 25.850 -15.198 1.00 0.00 C ATOM 644 C HIS A 42 2.464 25.141 -16.479 1.00 0.00 C ATOM 645 O HIS A 42 2.934 24.004 -16.438 1.00 0.00 O ATOM 646 CB HIS A 42 0.579 25.665 -14.900 1.00 0.00 C ATOM 647 CG HIS A 42 0.201 26.148 -13.527 1.00 0.00 C ATOM 648 ND1 HIS A 42 0.841 25.698 -12.384 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.743 27.040 -13.086 1.00 0.00 C ATOM 650 CE1 HIS A 42 0.278 26.322 -11.337 1.00 0.00 C ATOM 651 NE2 HIS A 42 -0.699 27.157 -11.698 1.00 0.00 N ATOM 0 H HIS A 42 1.624 27.883 -15.173 1.00 0.00 H new ATOM 0 HA HIS A 42 2.623 25.402 -14.372 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.007 26.204 -15.645 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.321 24.610 -14.994 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.600 25.018 -12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.426 27.578 -13.726 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.583 26.165 -10.313 1.00 0.00 H new ATOM 659 N LEU A 43 2.303 25.811 -17.625 1.00 0.00 N ATOM 660 CA LEU A 43 2.716 25.179 -18.858 1.00 0.00 C ATOM 661 C LEU A 43 4.241 25.165 -18.839 1.00 0.00 C ATOM 662 O LEU A 43 4.835 24.136 -19.129 1.00 0.00 O ATOM 663 CB LEU A 43 2.132 25.861 -20.106 1.00 0.00 C ATOM 664 CG LEU A 43 1.819 24.788 -21.160 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.418 24.197 -20.938 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.840 25.361 -22.578 1.00 0.00 C ATOM 0 H LEU A 43 1.908 26.747 -17.715 1.00 0.00 H new ATOM 0 HA LEU A 43 2.326 24.163 -18.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.227 26.410 -19.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.841 26.586 -20.506 1.00 0.00 H new ATOM 0 HG LEU A 43 2.589 24.024 -21.053 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.218 23.440 -21.696 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.367 23.742 -19.949 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.327 24.989 -21.012 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.614 24.570 -23.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.094 26.151 -22.662 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.827 25.771 -22.790 1.00 0.00 H new ATOM 678 N THR A 44 4.875 26.286 -18.464 1.00 0.00 N ATOM 679 CA THR A 44 6.335 26.379 -18.389 1.00 0.00 C ATOM 680 C THR A 44 6.909 25.213 -17.573 1.00 0.00 C ATOM 681 O THR A 44 7.955 24.660 -17.910 1.00 0.00 O ATOM 682 CB THR A 44 6.830 27.742 -17.875 1.00 0.00 C ATOM 683 OG1 THR A 44 6.423 28.767 -18.759 1.00 0.00 O ATOM 684 CG2 THR A 44 8.362 27.783 -17.815 1.00 0.00 C ATOM 0 H THR A 44 4.391 27.146 -18.206 1.00 0.00 H new ATOM 0 HA THR A 44 6.712 26.301 -19.409 1.00 0.00 H new ATOM 0 HB THR A 44 6.409 27.887 -16.880 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.483 28.988 -18.593 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.686 28.757 -17.449 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.721 27.004 -17.142 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.770 27.617 -18.812 1.00 0.00 H new ATOM 692 N ASN A 45 6.202 24.833 -16.506 1.00 0.00 N ATOM 693 CA ASN A 45 6.588 23.732 -15.632 1.00 0.00 C ATOM 694 C ASN A 45 6.506 22.431 -16.422 1.00 0.00 C ATOM 695 O ASN A 45 7.442 21.631 -16.394 1.00 0.00 O ATOM 696 CB ASN A 45 5.723 23.659 -14.367 1.00 0.00 C ATOM 697 CG ASN A 45 6.197 24.604 -13.264 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.016 24.226 -12.429 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.696 25.837 -13.253 1.00 0.00 N ATOM 0 H ASN A 45 5.335 25.290 -16.224 1.00 0.00 H new ATOM 0 HA ASN A 45 7.610 23.901 -15.292 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.691 23.899 -14.625 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.728 22.637 -13.989 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.990 26.501 -12.537 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.018 26.118 -13.961 1.00 0.00 H new ATOM 706 N ALA A 46 5.397 22.231 -17.146 1.00 0.00 N ATOM 707 CA ALA A 46 5.208 21.051 -17.969 1.00 0.00 C ATOM 708 C ALA A 46 6.423 20.904 -18.907 1.00 0.00 C ATOM 709 O ALA A 46 7.023 19.832 -18.989 1.00 0.00 O ATOM 710 CB ALA A 46 3.832 21.101 -18.659 1.00 0.00 C ATOM 0 H ALA A 46 4.615 22.885 -17.171 1.00 0.00 H new ATOM 0 HA ALA A 46 5.178 20.138 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.701 20.211 -19.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.047 21.139 -17.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.773 21.989 -19.289 1.00 0.00 H new ATOM 716 N ILE A 47 6.831 21.991 -19.577 1.00 0.00 N ATOM 717 CA ILE A 47 8.009 21.988 -20.450 1.00 0.00 C ATOM 718 C ILE A 47 9.290 21.677 -19.679 1.00 0.00 C ATOM 719 O ILE A 47 10.165 20.980 -20.186 1.00 0.00 O ATOM 720 CB ILE A 47 8.196 23.327 -21.206 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.136 23.576 -22.305 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.616 23.457 -21.795 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.795 24.059 -21.764 1.00 0.00 C ATOM 0 H ILE A 47 6.355 22.892 -19.528 1.00 0.00 H new ATOM 0 HA ILE A 47 7.823 21.199 -21.179 1.00 0.00 H new ATOM 0 HB ILE A 47 8.053 24.100 -20.451 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.521 24.314 -23.008 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.981 22.653 -22.864 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.707 24.409 -22.317 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.349 23.413 -20.990 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.796 22.641 -22.495 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.103 24.212 -22.592 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.387 23.312 -21.083 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.935 24.999 -21.230 1.00 0.00 H new ATOM 735 N ALA A 48 9.414 22.227 -18.474 1.00 0.00 N ATOM 736 CA ALA A 48 10.598 22.102 -17.639 1.00 0.00 C ATOM 737 C ALA A 48 10.867 20.658 -17.270 1.00 0.00 C ATOM 738 O ALA A 48 12.023 20.265 -17.126 1.00 0.00 O ATOM 739 CB ALA A 48 10.502 22.992 -16.397 1.00 0.00 C ATOM 0 H ALA A 48 8.675 22.784 -18.044 1.00 0.00 H new ATOM 0 HA ALA A 48 11.449 22.450 -18.224 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.403 22.875 -15.795 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.403 24.034 -16.703 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.632 22.702 -15.808 1.00 0.00 H new ATOM 745 N VAL A 49 9.796 19.874 -17.130 1.00 0.00 N ATOM 746 CA VAL A 49 9.912 18.476 -16.777 1.00 0.00 C ATOM 747 C VAL A 49 9.792 17.579 -18.006 1.00 0.00 C ATOM 748 O VAL A 49 10.154 16.408 -17.926 1.00 0.00 O ATOM 749 CB VAL A 49 8.924 18.150 -15.654 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.127 19.167 -14.525 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.450 18.124 -16.074 1.00 0.00 C ATOM 0 H VAL A 49 8.837 20.196 -17.259 1.00 0.00 H new ATOM 0 HA VAL A 49 10.908 18.271 -16.386 1.00 0.00 H new ATOM 0 HB VAL A 49 9.142 17.131 -15.333 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.432 18.953 -13.713 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.150 19.100 -14.154 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.944 20.173 -14.904 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.830 17.884 -15.210 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.166 19.101 -16.465 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.305 17.368 -16.846 1.00 0.00 H new ATOM 761 N CYS A 50 9.313 18.108 -19.142 1.00 0.00 N ATOM 762 CA CYS A 50 9.204 17.317 -20.362 1.00 0.00 C ATOM 763 C CYS A 50 10.512 17.390 -21.149 1.00 0.00 C ATOM 764 O CYS A 50 11.088 16.358 -21.483 1.00 0.00 O ATOM 765 CB CYS A 50 8.002 17.784 -21.178 1.00 0.00 C ATOM 766 SG CYS A 50 7.920 16.892 -22.747 1.00 0.00 S ATOM 0 H CYS A 50 8.999 19.074 -19.234 1.00 0.00 H new ATOM 0 HA CYS A 50 9.037 16.269 -20.113 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.085 17.621 -20.612 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.076 18.855 -21.365 1.00 0.00 H new ATOM 0 HG CYS A 50 6.890 17.302 -23.426 1.00 0.00 H new ATOM 772 N GLY A 51 10.982 18.609 -21.440 1.00 0.00 N ATOM 773 CA GLY A 51 12.220 18.843 -22.173 1.00 0.00 C ATOM 774 C GLY A 51 12.010 18.886 -23.689 1.00 0.00 C ATOM 775 O GLY A 51 12.943 19.187 -24.428 1.00 0.00 O ATOM 0 H GLY A 51 10.503 19.467 -21.167 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.660 19.785 -21.844 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.935 18.056 -21.931 1.00 0.00 H new ATOM 779 N GLN A 52 10.788 18.598 -24.150 1.00 0.00 N ATOM 780 CA GLN A 52 10.397 18.601 -25.555 1.00 0.00 C ATOM 781 C GLN A 52 9.218 19.573 -25.683 1.00 0.00 C ATOM 782 O GLN A 52 8.093 19.136 -25.933 1.00 0.00 O ATOM 783 CB GLN A 52 10.059 17.159 -25.972 1.00 0.00 C ATOM 784 CG GLN A 52 9.954 17.019 -27.497 1.00 0.00 C ATOM 785 CD GLN A 52 11.288 17.143 -28.233 1.00 0.00 C ATOM 786 OE1 GLN A 52 12.354 16.954 -27.655 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.237 17.469 -29.524 1.00 0.00 N ATOM 0 H GLN A 52 10.019 18.348 -23.528 1.00 0.00 H new ATOM 0 HA GLN A 52 11.189 18.937 -26.224 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.826 16.482 -25.596 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.117 16.859 -25.513 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.511 16.051 -27.732 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.272 17.781 -27.874 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.335 17.620 -29.977 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.099 17.568 -30.060 1.00 0.00 H new ATOM 796 N PRO A 53 9.439 20.892 -25.503 1.00 0.00 N ATOM 797 CA PRO A 53 8.373 21.875 -25.578 1.00 0.00 C ATOM 798 C PRO A 53 7.569 21.805 -26.865 1.00 0.00 C ATOM 799 O PRO A 53 6.348 21.742 -26.820 1.00 0.00 O ATOM 800 CB PRO A 53 9.039 23.250 -25.437 1.00 0.00 C ATOM 801 CG PRO A 53 10.512 22.991 -25.738 1.00 0.00 C ATOM 802 CD PRO A 53 10.694 21.576 -25.202 1.00 0.00 C ATOM 0 HA PRO A 53 7.652 21.680 -24.784 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.612 23.972 -26.134 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.904 23.656 -24.435 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.729 23.056 -26.804 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.164 23.706 -25.236 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.538 21.079 -25.679 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.892 21.583 -24.130 1.00 0.00 H new ATOM 810 N GLN A 54 8.265 21.839 -27.999 1.00 0.00 N ATOM 811 CA GLN A 54 7.681 21.850 -29.333 1.00 0.00 C ATOM 812 C GLN A 54 6.706 20.695 -29.532 1.00 0.00 C ATOM 813 O GLN A 54 5.596 20.919 -30.012 1.00 0.00 O ATOM 814 CB GLN A 54 8.793 21.867 -30.395 1.00 0.00 C ATOM 815 CG GLN A 54 9.803 23.026 -30.238 1.00 0.00 C ATOM 816 CD GLN A 54 10.799 23.086 -31.395 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.878 22.174 -32.213 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.575 24.167 -31.464 1.00 0.00 N ATOM 0 H GLN A 54 9.285 21.860 -28.012 1.00 0.00 H new ATOM 0 HA GLN A 54 7.095 22.762 -29.448 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.333 20.921 -30.354 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.336 21.930 -31.382 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.262 23.971 -30.177 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.345 22.908 -29.300 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.483 24.906 -30.767 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.261 24.255 -32.214 1.00 0.00 H new ATOM 827 N GLN A 55 7.096 19.474 -29.148 1.00 0.00 N ATOM 828 CA GLN A 55 6.199 18.331 -29.274 1.00 0.00 C ATOM 829 C GLN A 55 4.911 18.631 -28.522 1.00 0.00 C ATOM 830 O GLN A 55 3.823 18.423 -29.055 1.00 0.00 O ATOM 831 CB GLN A 55 6.856 17.027 -28.791 1.00 0.00 C ATOM 832 CG GLN A 55 5.976 15.775 -28.960 1.00 0.00 C ATOM 833 CD GLN A 55 5.683 15.359 -30.408 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.780 14.560 -30.642 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.432 15.872 -31.389 1.00 0.00 N ATOM 0 H GLN A 55 8.012 19.259 -28.754 1.00 0.00 H new ATOM 0 HA GLN A 55 5.969 18.174 -30.328 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.787 16.879 -29.338 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.118 17.134 -27.738 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.461 14.941 -28.453 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.027 15.949 -28.452 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.176 16.534 -31.169 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.259 15.602 -32.357 1.00 0.00 H new ATOM 844 N LEU A 56 5.042 19.144 -27.297 1.00 0.00 N ATOM 845 CA LEU A 56 3.888 19.493 -26.499 1.00 0.00 C ATOM 846 C LEU A 56 3.080 20.617 -27.156 1.00 0.00 C ATOM 847 O LEU A 56 1.856 20.566 -27.171 1.00 0.00 O ATOM 848 CB LEU A 56 4.261 19.788 -25.037 1.00 0.00 C ATOM 849 CG LEU A 56 3.031 19.931 -24.122 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.228 18.623 -23.956 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.523 20.440 -22.764 1.00 0.00 C ATOM 0 H LEU A 56 5.939 19.323 -26.845 1.00 0.00 H new ATOM 0 HA LEU A 56 3.234 18.622 -26.461 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.896 18.986 -24.661 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.847 20.706 -24.995 1.00 0.00 H new ATOM 0 HG LEU A 56 2.338 20.633 -24.584 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.377 18.800 -23.299 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.871 18.289 -24.930 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.869 17.855 -23.522 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.675 20.553 -22.089 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.230 19.726 -22.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.015 21.404 -22.893 1.00 0.00 H new ATOM 863 N LEU A 57 3.726 21.641 -27.717 1.00 0.00 N ATOM 864 CA LEU A 57 2.980 22.727 -28.352 1.00 0.00 C ATOM 865 C LEU A 57 2.168 22.190 -29.536 1.00 0.00 C ATOM 866 O LEU A 57 1.021 22.596 -29.736 1.00 0.00 O ATOM 867 CB LEU A 57 3.872 23.934 -28.702 1.00 0.00 C ATOM 868 CG LEU A 57 4.744 24.503 -27.555 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.274 25.897 -27.905 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.057 24.553 -26.179 1.00 0.00 C ATOM 0 H LEU A 57 4.741 21.741 -27.745 1.00 0.00 H new ATOM 0 HA LEU A 57 2.266 23.123 -27.630 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.531 23.645 -29.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.233 24.735 -29.074 1.00 0.00 H new ATOM 0 HG LEU A 57 5.565 23.792 -27.463 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.883 26.272 -27.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.881 25.839 -28.808 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.436 26.573 -28.074 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.747 24.966 -25.443 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.170 25.183 -26.238 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.767 23.546 -25.880 1.00 0.00 H new ATOM 882 N GLN A 58 2.729 21.245 -30.297 1.00 0.00 N ATOM 883 CA GLN A 58 2.018 20.620 -31.403 1.00 0.00 C ATOM 884 C GLN A 58 0.849 19.800 -30.843 1.00 0.00 C ATOM 885 O GLN A 58 -0.265 19.869 -31.359 1.00 0.00 O ATOM 886 CB GLN A 58 2.982 19.776 -32.251 1.00 0.00 C ATOM 887 CG GLN A 58 3.647 20.587 -33.375 1.00 0.00 C ATOM 888 CD GLN A 58 4.479 21.775 -32.889 1.00 0.00 C ATOM 889 OE1 GLN A 58 5.701 21.682 -32.797 1.00 0.00 O ATOM 890 NE2 GLN A 58 3.835 22.912 -32.614 1.00 0.00 N ATOM 0 H GLN A 58 3.679 20.899 -30.161 1.00 0.00 H new ATOM 0 HA GLN A 58 1.608 21.380 -32.068 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.754 19.355 -31.606 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.438 18.938 -32.686 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.288 19.923 -33.955 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.873 20.953 -34.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.820 22.957 -32.700 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.358 23.736 -32.318 1.00 0.00 H new ATOM 899 N VAL A 59 1.101 19.036 -29.774 1.00 0.00 N ATOM 900 CA VAL A 59 0.095 18.204 -29.119 1.00 0.00 C ATOM 901 C VAL A 59 -1.056 19.034 -28.555 1.00 0.00 C ATOM 902 O VAL A 59 -2.196 18.579 -28.543 1.00 0.00 O ATOM 903 CB VAL A 59 0.737 17.253 -28.088 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.527 17.616 -26.609 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.322 15.814 -28.287 1.00 0.00 C ATOM 0 H VAL A 59 2.021 18.980 -29.337 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.357 17.565 -29.877 1.00 0.00 H new ATOM 0 HB VAL A 59 1.799 17.381 -28.296 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.023 16.877 -25.979 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.949 18.602 -26.413 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.540 17.627 -26.385 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.803 15.189 -27.534 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.760 15.731 -28.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.624 15.482 -29.281 1.00 0.00 H new ATOM 915 N LEU A 60 -0.777 20.267 -28.130 1.00 0.00 N ATOM 916 CA LEU A 60 -1.796 21.153 -27.585 1.00 0.00 C ATOM 917 C LEU A 60 -2.573 21.720 -28.770 1.00 0.00 C ATOM 918 O LEU A 60 -3.793 21.842 -28.692 1.00 0.00 O ATOM 919 CB LEU A 60 -1.113 22.336 -26.865 1.00 0.00 C ATOM 920 CG LEU A 60 -0.798 22.214 -25.362 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.944 22.805 -24.529 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.553 20.794 -24.849 1.00 0.00 C ATOM 0 H LEU A 60 0.158 20.674 -28.155 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.440 20.615 -26.889 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.175 22.539 -27.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.747 23.213 -26.998 1.00 0.00 H new ATOM 0 HG LEU A 60 0.137 22.763 -25.247 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.709 22.712 -23.469 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.072 23.858 -24.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.866 22.265 -24.744 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.341 20.825 -23.780 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.440 20.185 -25.025 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.296 20.359 -25.375 1.00 0.00 H new ATOM 934 N GLN A 61 -1.884 22.035 -29.870 1.00 0.00 N ATOM 935 CA GLN A 61 -2.514 22.574 -31.071 1.00 0.00 C ATOM 936 C GLN A 61 -3.436 21.539 -31.723 1.00 0.00 C ATOM 937 O GLN A 61 -4.393 21.910 -32.400 1.00 0.00 O ATOM 938 CB GLN A 61 -1.435 23.110 -32.033 1.00 0.00 C ATOM 939 CG GLN A 61 -1.909 23.442 -33.456 1.00 0.00 C ATOM 940 CD GLN A 61 -0.775 24.067 -34.267 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.308 23.495 -34.366 1.00 0.00 O ATOM 942 NE2 GLN A 61 -1.007 25.244 -34.846 1.00 0.00 N ATOM 0 H GLN A 61 -0.873 21.922 -29.950 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.152 23.414 -30.798 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.001 24.010 -31.596 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.636 22.371 -32.100 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.260 22.536 -33.949 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.754 24.129 -33.413 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.918 25.692 -34.744 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.274 25.697 -35.391 1.00 0.00 H new ATOM 951 N GLN A 62 -3.157 20.244 -31.522 1.00 0.00 N ATOM 952 CA GLN A 62 -3.945 19.157 -32.085 1.00 0.00 C ATOM 953 C GLN A 62 -5.291 19.055 -31.376 1.00 0.00 C ATOM 954 O GLN A 62 -6.302 18.790 -32.021 1.00 0.00 O ATOM 955 CB GLN A 62 -3.146 17.834 -32.090 1.00 0.00 C ATOM 956 CG GLN A 62 -3.518 16.770 -31.037 1.00 0.00 C ATOM 957 CD GLN A 62 -4.815 16.012 -31.330 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.727 15.988 -30.506 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.898 15.367 -32.494 1.00 0.00 N ATOM 0 H GLN A 62 -2.369 19.926 -30.958 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.161 19.374 -33.131 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.252 17.382 -33.076 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.091 18.078 -31.963 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.702 16.052 -30.961 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.607 17.255 -30.065 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.123 15.407 -33.156 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.737 14.833 -32.723 1.00 0.00 H new ATOM 968 N THR A 63 -5.302 19.256 -30.052 1.00 0.00 N ATOM 969 CA THR A 63 -6.533 19.160 -29.281 1.00 0.00 C ATOM 970 C THR A 63 -7.372 20.424 -29.399 1.00 0.00 C ATOM 971 O THR A 63 -8.592 20.330 -29.517 1.00 0.00 O ATOM 972 CB THR A 63 -6.291 18.690 -27.844 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.509 18.648 -27.125 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.268 19.499 -27.057 1.00 0.00 C ATOM 0 H THR A 63 -4.474 19.484 -29.502 1.00 0.00 H new ATOM 0 HA THR A 63 -7.139 18.370 -29.725 1.00 0.00 H new ATOM 0 HB THR A 63 -5.863 17.693 -27.950 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.338 18.344 -26.209 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.171 19.085 -26.053 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.303 19.456 -27.562 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.597 20.536 -26.991 1.00 0.00 H new ATOM 982 N LEU A 64 -6.727 21.591 -29.371 1.00 0.00 N ATOM 983 CA LEU A 64 -7.432 22.866 -29.484 1.00 0.00 C ATOM 984 C LEU A 64 -6.478 24.039 -29.725 1.00 0.00 C ATOM 985 O LEU A 64 -5.335 23.980 -29.290 1.00 0.00 O ATOM 986 CB LEU A 64 -8.330 23.118 -28.252 1.00 0.00 C ATOM 987 CG LEU A 64 -7.775 22.730 -26.865 1.00 0.00 C ATOM 988 CD1 LEU A 64 -6.485 23.468 -26.490 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.840 23.044 -25.807 1.00 0.00 C ATOM 0 H LEU A 64 -5.716 21.678 -29.271 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.074 22.797 -30.362 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.577 24.179 -28.229 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.264 22.577 -28.402 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.534 21.668 -26.906 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.154 23.144 -25.503 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.711 23.243 -27.224 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.671 24.542 -26.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.463 22.775 -24.820 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.072 24.109 -25.829 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.743 22.471 -26.019 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.916 25.118 -30.399 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.080 26.287 -30.633 1.00 0.00 C ATOM 1003 C PRO A 65 -5.821 26.951 -29.271 1.00 0.00 C ATOM 1004 O PRO A 65 -6.771 27.412 -28.643 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.884 27.186 -31.577 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.337 26.799 -31.301 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.242 25.311 -30.967 1.00 0.00 C ATOM 0 HA PRO A 65 -5.112 26.062 -31.081 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.706 28.242 -31.372 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.615 27.013 -32.619 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.757 27.372 -30.474 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.973 26.978 -32.168 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.017 25.019 -30.259 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.378 24.700 -31.859 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.571 26.987 -28.781 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.231 27.538 -27.478 1.00 0.00 C ATOM 1017 C PRO A 66 -4.016 29.059 -27.527 1.00 0.00 C ATOM 1018 O PRO A 66 -3.037 29.514 -28.116 1.00 0.00 O ATOM 1019 CB PRO A 66 -2.975 26.758 -27.087 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.247 26.548 -28.417 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.381 26.452 -29.433 1.00 0.00 C ATOM 0 HA PRO A 66 -5.028 27.427 -26.742 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.362 27.316 -26.379 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.225 25.809 -26.613 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.576 27.377 -28.642 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.642 25.642 -28.404 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.144 27.020 -30.333 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.539 25.418 -29.740 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.890 29.877 -26.908 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.709 31.321 -26.877 1.00 0.00 C ATOM 1031 C PRO A 67 -3.610 31.657 -25.862 1.00 0.00 C ATOM 1032 O PRO A 67 -2.796 32.547 -26.089 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.067 31.890 -26.464 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.660 30.795 -25.577 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.092 29.502 -26.171 1.00 0.00 C ATOM 0 HA PRO A 67 -4.399 31.742 -27.833 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.960 32.830 -25.923 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.698 32.090 -27.330 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.366 30.920 -24.535 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.750 30.804 -25.604 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.857 28.785 -25.385 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.818 29.026 -26.830 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.586 30.919 -24.745 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.619 31.047 -23.661 1.00 0.00 C ATOM 1045 C VAL A 68 -1.213 30.950 -24.229 1.00 0.00 C ATOM 1046 O VAL A 68 -0.386 31.800 -23.936 1.00 0.00 O ATOM 1047 CB VAL A 68 -2.871 29.980 -22.585 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.686 29.875 -21.622 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.142 30.359 -21.821 1.00 0.00 C ATOM 0 H VAL A 68 -4.273 30.186 -24.570 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.732 32.020 -23.182 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.991 29.007 -23.062 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.893 29.112 -20.872 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.789 29.603 -22.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.531 30.835 -21.130 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.340 29.613 -21.051 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.009 31.335 -21.355 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.984 30.399 -22.512 1.00 0.00 H new ATOM 1059 N PHE A 69 -0.970 29.927 -25.053 1.00 0.00 N ATOM 1060 CA PHE A 69 0.289 29.681 -25.764 1.00 0.00 C ATOM 1061 C PHE A 69 0.817 30.977 -26.380 1.00 0.00 C ATOM 1062 O PHE A 69 2.002 31.276 -26.282 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.001 28.590 -26.803 1.00 0.00 C ATOM 1064 CG PHE A 69 0.749 28.557 -28.120 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.350 29.414 -29.161 1.00 0.00 C ATOM 1066 CD2 PHE A 69 1.813 27.659 -28.320 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.012 29.386 -30.400 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.474 27.629 -29.565 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.075 28.491 -30.601 1.00 0.00 C ATOM 0 H PHE A 69 -1.675 29.217 -25.252 1.00 0.00 H new ATOM 0 HA PHE A 69 1.078 29.339 -25.095 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.166 27.630 -26.315 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.063 28.647 -27.040 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.471 30.099 -29.007 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.122 26.997 -27.525 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.705 30.050 -31.194 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.291 26.940 -29.723 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.586 28.465 -31.552 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.069 31.754 -27.002 1.00 0.00 N ATOM 1080 CA GLN A 70 0.299 33.006 -27.656 1.00 0.00 C ATOM 1081 C GLN A 70 0.892 34.019 -26.674 1.00 0.00 C ATOM 1082 O GLN A 70 1.754 34.808 -27.052 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.892 33.591 -28.434 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.436 34.642 -29.455 1.00 0.00 C ATOM 1085 CD GLN A 70 -1.608 35.150 -30.289 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -1.697 34.869 -31.481 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.512 35.907 -29.667 1.00 0.00 N ATOM 0 H GLN A 70 -1.062 31.532 -27.066 1.00 0.00 H new ATOM 0 HA GLN A 70 1.086 32.779 -28.375 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.421 32.789 -28.948 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.597 34.042 -27.736 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.032 35.478 -28.935 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.320 34.211 -30.111 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.404 36.119 -28.675 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.312 36.274 -30.183 1.00 0.00 H new ATOM 1096 N MET A 71 0.437 34.002 -25.417 1.00 0.00 N ATOM 1097 CA MET A 71 0.874 34.870 -24.367 1.00 0.00 C ATOM 1098 C MET A 71 2.051 34.210 -23.640 1.00 0.00 C ATOM 1099 O MET A 71 2.949 34.907 -23.186 1.00 0.00 O ATOM 1100 CB MET A 71 -0.350 35.178 -23.490 1.00 0.00 C ATOM 1101 CG MET A 71 0.094 35.573 -22.093 1.00 0.00 C ATOM 1102 SD MET A 71 -0.996 36.675 -21.161 1.00 0.00 S ATOM 1103 CE MET A 71 -2.378 35.558 -20.874 1.00 0.00 C ATOM 0 H MET A 71 -0.280 33.344 -25.110 1.00 0.00 H new ATOM 0 HA MET A 71 1.256 35.827 -24.723 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.933 35.984 -23.936 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.000 34.304 -23.440 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.230 34.661 -21.511 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.071 36.050 -22.171 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.214 36.115 -20.450 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.684 35.107 -21.818 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.075 34.775 -20.179 1.00 0.00 H new ATOM 1113 N LEU A 72 2.089 32.879 -23.530 1.00 0.00 N ATOM 1114 CA LEU A 72 3.182 32.164 -22.892 1.00 0.00 C ATOM 1115 C LEU A 72 4.463 32.532 -23.628 1.00 0.00 C ATOM 1116 O LEU A 72 5.492 32.842 -23.026 1.00 0.00 O ATOM 1117 CB LEU A 72 2.882 30.648 -22.868 1.00 0.00 C ATOM 1118 CG LEU A 72 4.071 29.709 -23.121 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.066 29.682 -21.954 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.555 28.284 -23.328 1.00 0.00 C ATOM 0 H LEU A 72 1.353 32.269 -23.886 1.00 0.00 H new ATOM 0 HA LEU A 72 3.303 32.449 -21.847 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.453 30.401 -21.897 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.118 30.440 -23.617 1.00 0.00 H new ATOM 0 HG LEU A 72 4.588 30.086 -24.003 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.885 29.002 -22.189 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.462 30.684 -21.791 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.559 29.341 -21.051 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.396 27.615 -23.508 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.017 27.959 -22.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.884 28.261 -24.186 1.00 0.00 H new ATOM 1132 N LEU A 73 4.363 32.512 -24.954 1.00 0.00 N ATOM 1133 CA LEU A 73 5.473 32.822 -25.838 1.00 0.00 C ATOM 1134 C LEU A 73 5.887 34.285 -25.782 1.00 0.00 C ATOM 1135 O LEU A 73 6.995 34.617 -26.196 1.00 0.00 O ATOM 1136 CB LEU A 73 5.117 32.443 -27.271 1.00 0.00 C ATOM 1137 CG LEU A 73 4.811 30.953 -27.491 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.111 30.888 -28.842 1.00 0.00 C ATOM 1139 CD2 LEU A 73 6.046 30.061 -27.436 1.00 0.00 C ATOM 0 H LEU A 73 3.500 32.278 -25.445 1.00 0.00 H new ATOM 0 HA LEU A 73 6.324 32.236 -25.492 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.250 33.026 -27.581 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.943 32.729 -27.923 1.00 0.00 H new ATOM 0 HG LEU A 73 4.186 30.565 -26.687 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.859 29.853 -29.072 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.199 31.485 -28.808 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.773 31.280 -29.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.753 29.024 -27.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.750 30.366 -28.210 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.519 30.155 -26.459 1.00 0.00 H new ATOM 1151 N THR A 74 5.004 35.144 -25.269 1.00 0.00 N ATOM 1152 CA THR A 74 5.258 36.562 -25.116 1.00 0.00 C ATOM 1153 C THR A 74 5.722 36.852 -23.687 1.00 0.00 C ATOM 1154 O THR A 74 6.389 37.862 -23.466 1.00 0.00 O ATOM 1155 CB THR A 74 4.120 37.434 -25.669 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.656 38.560 -26.335 1.00 0.00 O ATOM 1157 CG2 THR A 74 3.181 37.954 -24.592 1.00 0.00 C ATOM 0 H THR A 74 4.079 34.860 -24.945 1.00 0.00 H new ATOM 0 HA THR A 74 6.090 36.863 -25.752 1.00 0.00 H new ATOM 0 HB THR A 74 3.554 36.790 -26.342 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.925 39.111 -26.686 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.402 38.562 -25.051 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.725 37.113 -24.070 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.743 38.561 -23.882 1.00 0.00 H new ATOM 1165 N LYS A 75 5.397 35.971 -22.726 1.00 0.00 N ATOM 1166 CA LYS A 75 5.823 36.142 -21.346 1.00 0.00 C ATOM 1167 C LYS A 75 7.304 35.773 -21.224 1.00 0.00 C ATOM 1168 O LYS A 75 8.048 36.466 -20.535 1.00 0.00 O ATOM 1169 CB LYS A 75 4.983 35.235 -20.430 1.00 0.00 C ATOM 1170 CG LYS A 75 4.419 35.903 -19.174 1.00 0.00 C ATOM 1171 CD LYS A 75 3.125 36.709 -19.447 1.00 0.00 C ATOM 1172 CE LYS A 75 2.396 37.262 -18.198 1.00 0.00 C ATOM 1173 NZ LYS A 75 1.197 38.040 -18.556 1.00 0.00 N ATOM 0 H LYS A 75 4.838 35.134 -22.891 1.00 0.00 H new ATOM 0 HA LYS A 75 5.682 37.180 -21.046 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.152 34.833 -21.010 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.598 34.388 -20.124 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.213 35.139 -18.424 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.173 36.568 -18.753 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.373 37.546 -20.100 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.432 36.071 -19.996 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.110 36.434 -17.549 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.080 37.892 -17.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.798 38.476 -17.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.456 38.784 -19.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.490 37.410 -18.986 1.00 0.00 H new ATOM 1187 N LEU A 76 7.710 34.678 -21.889 1.00 0.00 N ATOM 1188 CA LEU A 76 9.079 34.170 -21.900 1.00 0.00 C ATOM 1189 C LEU A 76 10.100 35.291 -22.147 1.00 0.00 C ATOM 1190 O LEU A 76 10.889 35.586 -21.248 1.00 0.00 O ATOM 1191 CB LEU A 76 9.199 32.968 -22.865 1.00 0.00 C ATOM 1192 CG LEU A 76 8.587 31.635 -22.380 1.00 0.00 C ATOM 1193 CD1 LEU A 76 8.488 30.679 -23.574 1.00 0.00 C ATOM 1194 CD2 LEU A 76 9.433 30.977 -21.282 1.00 0.00 C ATOM 0 H LEU A 76 7.072 34.111 -22.447 1.00 0.00 H new ATOM 0 HA LEU A 76 9.328 33.788 -20.910 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.725 33.238 -23.808 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.256 32.803 -23.075 1.00 0.00 H new ATOM 0 HG LEU A 76 7.604 31.846 -21.960 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.057 29.732 -23.247 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.853 31.121 -24.342 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.483 30.503 -23.983 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.964 30.043 -20.972 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.432 30.771 -21.666 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.505 31.648 -20.426 1.00 0.00 H new ATOM 1206 N PRO A 77 10.117 35.945 -23.318 1.00 0.00 N ATOM 1207 CA PRO A 77 11.026 37.047 -23.578 1.00 0.00 C ATOM 1208 C PRO A 77 10.537 38.257 -22.778 1.00 0.00 C ATOM 1209 O PRO A 77 9.336 38.429 -22.584 1.00 0.00 O ATOM 1210 CB PRO A 77 10.932 37.304 -25.084 1.00 0.00 C ATOM 1211 CG PRO A 77 9.497 36.890 -25.406 1.00 0.00 C ATOM 1212 CD PRO A 77 9.260 35.713 -24.460 1.00 0.00 C ATOM 0 HA PRO A 77 12.057 36.843 -23.289 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.116 38.350 -25.329 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.659 36.713 -25.642 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.792 37.702 -25.225 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.386 36.598 -26.450 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.214 35.658 -24.159 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.502 34.767 -24.945 1.00 0.00 H new ATOM 1220 N THR A 78 11.465 39.093 -22.311 1.00 0.00 N ATOM 1221 CA THR A 78 11.158 40.289 -21.531 1.00 0.00 C ATOM 1222 C THR A 78 12.175 41.372 -21.870 1.00 0.00 C ATOM 1223 O THR A 78 11.826 42.501 -22.216 1.00 0.00 O ATOM 1224 CB THR A 78 11.089 39.925 -20.037 1.00 0.00 C ATOM 1225 OG1 THR A 78 10.203 40.798 -19.370 1.00 0.00 O ATOM 1226 CG2 THR A 78 12.405 39.866 -19.253 1.00 0.00 C ATOM 0 H THR A 78 12.464 38.955 -22.467 1.00 0.00 H new ATOM 0 HA THR A 78 10.178 40.695 -21.783 1.00 0.00 H new ATOM 0 HB THR A 78 10.741 38.892 -20.054 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.162 40.560 -18.420 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.199 39.598 -18.217 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.060 39.117 -19.698 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.892 40.840 -19.286 1.00 0.00 H new ATOM 1234 N ILE A 79 13.449 40.989 -21.776 1.00 0.00 N ATOM 1235 CA ILE A 79 14.594 41.842 -22.054 1.00 0.00 C ATOM 1236 C ILE A 79 14.444 42.537 -23.405 1.00 0.00 C ATOM 1237 O ILE A 79 14.623 43.749 -23.500 1.00 0.00 O ATOM 1238 CB ILE A 79 15.930 41.070 -21.944 1.00 0.00 C ATOM 1239 CG1 ILE A 79 16.096 40.333 -20.599 1.00 0.00 C ATOM 1240 CG2 ILE A 79 17.113 42.028 -22.133 1.00 0.00 C ATOM 1241 CD1 ILE A 79 15.782 38.846 -20.751 1.00 0.00 C ATOM 0 H ILE A 79 13.716 40.045 -21.495 1.00 0.00 H new ATOM 0 HA ILE A 79 14.621 42.617 -21.288 1.00 0.00 H new ATOM 0 HB ILE A 79 15.912 40.318 -22.733 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.116 40.458 -20.234 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.434 40.774 -19.854 1.00 0.00 H new ATOM 0 HG21 ILE A 79 18.047 41.472 -22.053 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.050 42.494 -23.116 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.083 42.800 -21.364 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.906 38.348 -19.789 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.754 38.724 -21.093 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.461 38.403 -21.479 1.00 0.00 H new ATOM 1253 N SER A 80 14.104 41.762 -24.438 1.00 0.00 N ATOM 1254 CA SER A 80 13.909 42.264 -25.790 1.00 0.00 C ATOM 1255 C SER A 80 12.933 43.440 -25.792 1.00 0.00 C ATOM 1256 O SER A 80 13.247 44.503 -26.325 1.00 0.00 O ATOM 1257 CB SER A 80 13.441 41.136 -26.718 1.00 0.00 C ATOM 1258 OG SER A 80 13.322 41.624 -28.039 1.00 0.00 O ATOM 0 H SER A 80 13.956 40.756 -24.352 1.00 0.00 H new ATOM 0 HA SER A 80 14.863 42.630 -26.170 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.151 40.309 -26.688 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.482 40.745 -26.377 1.00 0.00 H new ATOM 0 HG SER A 80 13.024 40.901 -28.629 1.00 0.00 H new ATOM 1264 N GLN A 81 11.756 43.253 -25.178 1.00 0.00 N ATOM 1265 CA GLN A 81 10.757 44.304 -25.100 1.00 0.00 C ATOM 1266 C GLN A 81 11.330 45.564 -24.462 1.00 0.00 C ATOM 1267 O GLN A 81 11.018 46.669 -24.901 1.00 0.00 O ATOM 1268 CB GLN A 81 9.480 43.849 -24.380 1.00 0.00 C ATOM 1269 CG GLN A 81 8.767 42.701 -25.113 1.00 0.00 C ATOM 1270 CD GLN A 81 9.139 41.334 -24.547 1.00 0.00 C ATOM 1271 OE1 GLN A 81 10.257 40.863 -24.744 1.00 0.00 O ATOM 1272 NE2 GLN A 81 8.210 40.694 -23.837 1.00 0.00 N ATOM 0 H GLN A 81 11.481 42.379 -24.730 1.00 0.00 H new ATOM 0 HA GLN A 81 10.472 44.542 -26.125 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.731 43.529 -23.369 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.799 44.695 -24.287 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.688 42.841 -25.040 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.022 42.735 -26.172 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.293 41.119 -23.696 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.416 39.780 -23.435 1.00 0.00 H new ATOM 1281 N ARG A 82 12.175 45.401 -23.439 1.00 0.00 N ATOM 1282 CA ARG A 82 12.789 46.536 -22.760 1.00 0.00 C ATOM 1283 C ARG A 82 13.687 47.338 -23.711 1.00 0.00 C ATOM 1284 O ARG A 82 13.655 48.566 -23.670 1.00 0.00 O ATOM 1285 CB ARG A 82 13.561 46.091 -21.508 1.00 0.00 C ATOM 1286 CG ARG A 82 13.841 47.263 -20.555 1.00 0.00 C ATOM 1287 CD ARG A 82 14.832 46.860 -19.456 1.00 0.00 C ATOM 1288 NE ARG A 82 14.340 45.724 -18.662 1.00 0.00 N ATOM 1289 CZ ARG A 82 15.065 45.048 -17.754 1.00 0.00 C ATOM 1290 NH1 ARG A 82 16.325 45.413 -17.482 1.00 0.00 N ATOM 1291 NH2 ARG A 82 14.523 44.003 -17.117 1.00 0.00 N ATOM 0 H ARG A 82 12.447 44.491 -23.066 1.00 0.00 H new ATOM 0 HA ARG A 82 11.984 47.194 -22.433 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.989 45.326 -20.983 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.504 45.634 -21.807 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.242 48.106 -21.119 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.908 47.598 -20.102 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.789 46.599 -19.908 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.011 47.711 -18.799 1.00 0.00 H new ATOM 0 HE ARG A 82 13.376 45.427 -18.812 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.741 46.209 -17.965 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.868 44.895 -16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.564 43.723 -17.321 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.069 43.487 -16.427 1.00 0.00 H new ATOM 1305 N ILE A 83 14.489 46.668 -24.556 1.00 0.00 N ATOM 1306 CA ILE A 83 15.385 47.373 -25.471 1.00 0.00 C ATOM 1307 C ILE A 83 14.558 48.202 -26.442 1.00 0.00 C ATOM 1308 O ILE A 83 14.796 49.396 -26.603 1.00 0.00 O ATOM 1309 CB ILE A 83 16.294 46.425 -26.287 1.00 0.00 C ATOM 1310 CG1 ILE A 83 16.835 45.228 -25.525 1.00 0.00 C ATOM 1311 CG2 ILE A 83 17.434 47.181 -26.996 1.00 0.00 C ATOM 1312 CD1 ILE A 83 17.427 45.483 -24.145 1.00 0.00 C ATOM 0 H ILE A 83 14.531 45.651 -24.620 1.00 0.00 H new ATOM 0 HA ILE A 83 16.032 47.999 -24.857 1.00 0.00 H new ATOM 0 HB ILE A 83 15.623 46.009 -27.038 1.00 0.00 H new ATOM 0 HG12 ILE A 83 16.027 44.505 -25.416 1.00 0.00 H new ATOM 0 HG13 ILE A 83 17.603 44.757 -26.139 1.00 0.00 H new ATOM 0 HG21 ILE A 83 18.046 46.474 -27.556 1.00 0.00 H new ATOM 0 HG22 ILE A 83 17.012 47.917 -27.680 1.00 0.00 H new ATOM 0 HG23 ILE A 83 18.052 47.687 -26.254 1.00 0.00 H new ATOM 0 HD11 ILE A 83 17.773 44.542 -23.718 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.266 46.173 -24.231 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.666 45.917 -23.497 1.00 0.00 H new ATOM 1324 N VAL A 84 13.590 47.548 -27.091 1.00 0.00 N ATOM 1325 CA VAL A 84 12.727 48.214 -28.060 1.00 0.00 C ATOM 1326 C VAL A 84 11.990 49.382 -27.417 1.00 0.00 C ATOM 1327 O VAL A 84 11.910 50.462 -27.999 1.00 0.00 O ATOM 1328 CB VAL A 84 11.778 47.221 -28.755 1.00 0.00 C ATOM 1329 CG1 VAL A 84 10.917 47.920 -29.814 1.00 0.00 C ATOM 1330 CG2 VAL A 84 12.553 46.083 -29.437 1.00 0.00 C ATOM 0 H VAL A 84 13.387 46.557 -26.960 1.00 0.00 H new ATOM 0 HA VAL A 84 13.357 48.629 -28.847 1.00 0.00 H new ATOM 0 HB VAL A 84 11.139 46.809 -27.974 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.258 47.191 -30.286 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.318 48.698 -29.340 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.562 48.369 -30.569 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.851 45.401 -29.917 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.225 46.499 -30.187 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.133 45.540 -28.691 1.00 0.00 H new ATOM 1340 N SER A 85 11.478 49.180 -26.204 1.00 0.00 N ATOM 1341 CA SER A 85 10.775 50.198 -25.445 1.00 0.00 C ATOM 1342 C SER A 85 11.748 51.180 -24.785 1.00 0.00 C ATOM 1343 O SER A 85 11.577 51.533 -23.619 1.00 0.00 O ATOM 1344 CB SER A 85 9.876 49.536 -24.397 1.00 0.00 C ATOM 1345 OG SER A 85 9.020 48.589 -25.002 1.00 0.00 O ATOM 0 H SER A 85 11.544 48.286 -25.717 1.00 0.00 H new ATOM 0 HA SER A 85 10.155 50.771 -26.134 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.490 49.048 -23.640 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.284 50.295 -23.886 1.00 0.00 H new ATOM 0 HG SER A 85 9.495 47.738 -25.105 1.00 0.00 H new ATOM 1351 N ALA A 86 12.766 51.625 -25.530 1.00 0.00 N ATOM 1352 CA ALA A 86 13.776 52.563 -25.066 1.00 0.00 C ATOM 1353 C ALA A 86 14.605 53.091 -26.237 1.00 0.00 C ATOM 1354 O ALA A 86 14.700 54.300 -26.432 1.00 0.00 O ATOM 1355 CB ALA A 86 14.685 51.907 -24.017 1.00 0.00 C ATOM 0 H ALA A 86 12.908 51.331 -26.496 1.00 0.00 H new ATOM 0 HA ALA A 86 13.266 53.406 -24.600 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.433 52.626 -23.683 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.085 51.586 -23.165 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.183 51.043 -24.456 1.00 0.00 H new ATOM 1361 N GLN A 87 15.214 52.185 -27.007 1.00 0.00 N ATOM 1362 CA GLN A 87 16.063 52.514 -28.149 1.00 0.00 C ATOM 1363 C GLN A 87 15.295 53.397 -29.151 1.00 0.00 C ATOM 1364 O GLN A 87 14.377 52.887 -29.790 1.00 0.00 O ATOM 1365 CB GLN A 87 16.581 51.220 -28.810 1.00 0.00 C ATOM 1366 CG GLN A 87 17.708 51.464 -29.825 1.00 0.00 C ATOM 1367 CD GLN A 87 17.217 52.055 -31.144 1.00 0.00 C ATOM 1368 OE1 GLN A 87 17.464 53.223 -31.434 1.00 0.00 O ATOM 1369 NE2 GLN A 87 16.525 51.252 -31.954 1.00 0.00 N ATOM 0 H GLN A 87 15.127 51.181 -26.848 1.00 0.00 H new ATOM 0 HA GLN A 87 16.926 53.084 -27.804 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.940 50.543 -28.035 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.752 50.720 -29.311 1.00 0.00 H new ATOM 0 HG2 GLN A 87 18.444 52.137 -29.385 1.00 0.00 H new ATOM 0 HG3 GLN A 87 18.218 50.521 -30.025 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.339 50.287 -31.679 1.00 0.00 H new ATOM 0 HE22 GLN A 87 16.182 51.603 -32.848 1.00 0.00 H new ATOM 1378 N SER A 88 15.663 54.686 -29.288 1.00 0.00 N ATOM 1379 CA SER A 88 15.080 55.700 -30.182 1.00 0.00 C ATOM 1380 C SER A 88 14.289 56.739 -29.386 1.00 0.00 C ATOM 1381 O SER A 88 14.079 57.844 -29.879 1.00 0.00 O ATOM 1382 CB SER A 88 14.231 55.130 -31.331 1.00 0.00 C ATOM 1383 OG SER A 88 13.957 56.148 -32.273 1.00 0.00 O ATOM 0 H SER A 88 16.430 55.071 -28.737 1.00 0.00 H new ATOM 0 HA SER A 88 15.932 56.181 -30.664 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.760 54.308 -31.813 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.299 54.723 -30.940 1.00 0.00 H new ATOM 0 HG SER A 88 13.922 57.015 -31.817 1.00 0.00 H new ATOM 1389 N LEU A 89 13.860 56.389 -28.168 1.00 0.00 N ATOM 1390 CA LEU A 89 13.115 57.253 -27.264 1.00 0.00 C ATOM 1391 C LEU A 89 13.780 57.190 -25.886 1.00 0.00 C ATOM 1392 O LEU A 89 13.103 57.118 -24.863 1.00 0.00 O ATOM 1393 CB LEU A 89 11.642 56.808 -27.213 1.00 0.00 C ATOM 1394 CG LEU A 89 10.911 56.845 -28.569 1.00 0.00 C ATOM 1395 CD1 LEU A 89 9.553 56.147 -28.430 1.00 0.00 C ATOM 1396 CD2 LEU A 89 10.682 58.278 -29.067 1.00 0.00 C ATOM 0 H LEU A 89 14.031 55.463 -27.777 1.00 0.00 H new ATOM 0 HA LEU A 89 13.127 58.286 -27.613 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.597 55.793 -26.819 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.108 57.447 -26.510 1.00 0.00 H new ATOM 0 HG LEU A 89 11.542 56.333 -29.296 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.032 56.171 -29.387 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.706 55.112 -28.125 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.955 56.662 -27.678 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.164 58.252 -30.026 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.077 58.823 -28.342 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.642 58.779 -29.187 1.00 0.00 H new ATOM 1408 N GLY A 90 15.117 57.222 -25.877 1.00 0.00 N ATOM 1409 CA GLY A 90 15.946 57.180 -24.682 1.00 0.00 C ATOM 1410 C GLY A 90 17.086 58.188 -24.806 1.00 0.00 C ATOM 1411 O GLY A 90 17.091 59.014 -25.717 1.00 0.00 O ATOM 0 H GLY A 90 15.665 57.280 -26.736 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.343 57.406 -23.802 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.349 56.177 -24.543 1.00 0.00 H new ATOM 1415 N GLU A 91 18.051 58.114 -23.886 1.00 0.00 N ATOM 1416 CA GLU A 91 19.211 58.992 -23.863 1.00 0.00 C ATOM 1417 C GLU A 91 20.223 58.583 -24.943 1.00 0.00 C ATOM 1418 O GLU A 91 20.131 57.488 -25.499 1.00 0.00 O ATOM 1419 CB GLU A 91 19.841 59.021 -22.457 1.00 0.00 C ATOM 1420 CG GLU A 91 20.218 57.644 -21.885 1.00 0.00 C ATOM 1421 CD GLU A 91 19.058 56.972 -21.157 1.00 0.00 C ATOM 1422 OE1 GLU A 91 18.289 56.264 -21.845 1.00 0.00 O ATOM 1423 OE2 GLU A 91 18.947 57.195 -19.933 1.00 0.00 O ATOM 0 H GLU A 91 18.043 57.431 -23.128 1.00 0.00 H new ATOM 0 HA GLU A 91 18.888 60.007 -24.094 1.00 0.00 H new ATOM 0 HB2 GLU A 91 20.736 59.642 -22.489 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.143 59.503 -21.773 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.556 56.998 -22.696 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.056 57.758 -21.198 1.00 0.00 H new ATOM 1430 N ASP A 92 21.187 59.469 -25.230 1.00 0.00 N ATOM 1431 CA ASP A 92 22.241 59.268 -26.217 1.00 0.00 C ATOM 1432 C ASP A 92 23.593 59.205 -25.499 1.00 0.00 C ATOM 1433 O ASP A 92 23.706 59.653 -24.357 1.00 0.00 O ATOM 1434 CB ASP A 92 22.234 60.434 -27.217 1.00 0.00 C ATOM 1435 CG ASP A 92 20.942 60.498 -28.025 1.00 0.00 C ATOM 1436 OD1 ASP A 92 20.004 61.176 -27.553 1.00 0.00 O ATOM 1437 OD2 ASP A 92 20.924 59.873 -29.108 1.00 0.00 O ATOM 0 H ASP A 92 21.251 60.373 -24.762 1.00 0.00 H new ATOM 0 HA ASP A 92 22.072 58.336 -26.756 1.00 0.00 H new ATOM 0 HB2 ASP A 92 22.370 61.372 -26.679 1.00 0.00 H new ATOM 0 HB3 ASP A 92 23.080 60.331 -27.897 1.00 0.00 H new ATOM 1442 N ASP A 93 24.623 58.658 -26.157 1.00 0.00 N ATOM 1443 CA ASP A 93 25.957 58.553 -25.582 1.00 0.00 C ATOM 1444 C ASP A 93 26.644 59.925 -25.611 1.00 0.00 C ATOM 1445 O ASP A 93 26.340 60.738 -26.483 1.00 0.00 O ATOM 1446 CB ASP A 93 26.792 57.533 -26.366 1.00 0.00 C ATOM 1447 CG ASP A 93 26.218 56.125 -26.262 1.00 0.00 C ATOM 1448 OD1 ASP A 93 26.533 55.458 -25.254 1.00 0.00 O ATOM 1449 OD2 ASP A 93 25.473 55.746 -27.191 1.00 0.00 O ATOM 0 H ASP A 93 24.549 58.278 -27.101 1.00 0.00 H new ATOM 0 HA ASP A 93 25.872 58.217 -24.549 1.00 0.00 H new ATOM 0 HB2 ASP A 93 26.837 57.830 -27.414 1.00 0.00 H new ATOM 0 HB3 ASP A 93 27.815 57.536 -25.990 1.00 0.00 H new ATOM 1454 N VAL A 94 27.573 60.175 -24.673 1.00 0.00 N ATOM 1455 CA VAL A 94 28.337 61.412 -24.542 1.00 0.00 C ATOM 1456 C VAL A 94 27.469 62.662 -24.773 1.00 0.00 C ATOM 1457 O VAL A 94 26.529 62.882 -24.010 1.00 0.00 O ATOM 1458 CB VAL A 94 29.684 61.296 -25.299 1.00 0.00 C ATOM 1459 CG1 VAL A 94 29.578 60.969 -26.798 1.00 0.00 C ATOM 1460 CG2 VAL A 94 30.631 62.478 -25.048 1.00 0.00 C ATOM 0 H VAL A 94 27.817 59.488 -23.960 1.00 0.00 H new ATOM 0 HA VAL A 94 28.646 61.568 -23.509 1.00 0.00 H new ATOM 0 HB VAL A 94 30.134 60.412 -24.848 1.00 0.00 H new ATOM 0 HG11 VAL A 94 30.577 60.911 -27.229 1.00 0.00 H new ATOM 0 HG12 VAL A 94 29.071 60.013 -26.927 1.00 0.00 H new ATOM 0 HG13 VAL A 94 29.010 61.751 -27.302 1.00 0.00 H new ATOM 0 HG21 VAL A 94 31.554 62.330 -25.609 1.00 0.00 H new ATOM 0 HG22 VAL A 94 30.153 63.402 -25.372 1.00 0.00 H new ATOM 0 HG23 VAL A 94 30.859 62.542 -23.984 1.00 0.00 H new ATOM 1470 N GLU A 95 27.761 63.472 -25.794 1.00 0.00 N ATOM 1471 CA GLU A 95 27.048 64.683 -26.159 1.00 0.00 C ATOM 1472 C GLU A 95 27.509 65.055 -27.572 1.00 0.00 C ATOM 1473 O GLU A 95 26.615 65.351 -28.396 1.00 0.00 O ATOM 1474 CB GLU A 95 27.359 65.798 -25.147 1.00 0.00 C ATOM 1475 CG GLU A 95 26.536 67.066 -25.398 1.00 0.00 C ATOM 1476 CD GLU A 95 26.818 68.120 -24.333 1.00 0.00 C ATOM 1477 OE1 GLU A 95 27.857 68.804 -24.468 1.00 0.00 O ATOM 1478 OE2 GLU A 95 25.993 68.219 -23.397 1.00 0.00 O ATOM 1479 OXT GLU A 95 28.672 64.703 -27.879 1.00 0.00 O ATOM 0 H GLU A 95 28.546 63.283 -26.418 1.00 0.00 H new ATOM 0 HA GLU A 95 25.968 64.538 -26.145 1.00 0.00 H new ATOM 0 HB2 GLU A 95 27.161 65.434 -24.139 1.00 0.00 H new ATOM 0 HB3 GLU A 95 28.420 66.042 -25.195 1.00 0.00 H new ATOM 0 HG2 GLU A 95 26.772 67.468 -26.384 1.00 0.00 H new ATOM 0 HG3 GLU A 95 25.474 66.820 -25.399 1.00 0.00 H new TER 1486 GLU A 95 ATOM 1487 N GLY B 1 -9.798 24.502 -22.006 1.00 0.00 N ATOM 1488 CA GLY B 1 -10.404 23.166 -21.824 1.00 0.00 C ATOM 1489 C GLY B 1 -10.121 22.642 -20.415 1.00 0.00 C ATOM 1490 O GLY B 1 -9.025 22.137 -20.197 1.00 0.00 O ATOM 0 H1 GLY B 1 -10.055 24.875 -22.942 1.00 0.00 H new ATOM 0 H2 GLY B 1 -10.149 25.146 -21.269 1.00 0.00 H new ATOM 0 H3 GLY B 1 -8.763 24.426 -21.935 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -11.480 23.222 -21.989 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -10.003 22.473 -22.564 1.00 0.00 H new ATOM 1496 N PRO B 2 -11.053 22.753 -19.448 1.00 0.00 N ATOM 1497 CA PRO B 2 -10.808 22.299 -18.087 1.00 0.00 C ATOM 1498 C PRO B 2 -10.375 20.835 -18.046 1.00 0.00 C ATOM 1499 O PRO B 2 -11.065 19.971 -18.583 1.00 0.00 O ATOM 1500 CB PRO B 2 -12.097 22.547 -17.294 1.00 0.00 C ATOM 1501 CG PRO B 2 -13.164 22.757 -18.369 1.00 0.00 C ATOM 1502 CD PRO B 2 -12.388 23.317 -19.561 1.00 0.00 C ATOM 0 HA PRO B 2 -9.981 22.852 -17.641 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -12.339 21.700 -16.653 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -12.005 23.420 -16.648 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -13.664 21.822 -18.623 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -13.936 23.450 -18.035 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -12.856 23.034 -20.504 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -12.358 24.406 -19.535 1.00 0.00 H new ATOM 1510 N ARG B 3 -9.225 20.582 -17.411 1.00 0.00 N ATOM 1511 CA ARG B 3 -8.632 19.262 -17.263 1.00 0.00 C ATOM 1512 C ARG B 3 -8.315 18.662 -18.633 1.00 0.00 C ATOM 1513 O ARG B 3 -8.826 17.608 -19.005 1.00 0.00 O ATOM 1514 CB ARG B 3 -9.498 18.367 -16.364 1.00 0.00 C ATOM 1515 CG ARG B 3 -9.653 19.034 -14.993 1.00 0.00 C ATOM 1516 CD ARG B 3 -10.412 18.154 -14.001 1.00 0.00 C ATOM 1517 NE ARG B 3 -10.664 18.924 -12.778 1.00 0.00 N ATOM 1518 CZ ARG B 3 -11.641 18.702 -11.889 1.00 0.00 C ATOM 1519 NH1 ARG B 3 -12.342 17.561 -11.925 1.00 0.00 N ATOM 1520 NH2 ARG B 3 -11.916 19.633 -10.969 1.00 0.00 N ATOM 0 H ARG B 3 -8.670 21.318 -16.975 1.00 0.00 H new ATOM 0 HA ARG B 3 -7.676 19.347 -16.747 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -10.476 18.211 -16.819 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -9.037 17.385 -16.255 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -8.667 19.264 -14.590 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -10.178 19.982 -15.110 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -11.354 17.820 -14.437 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -9.833 17.260 -13.771 1.00 0.00 H new ATOM 0 HE ARG B 3 -10.035 19.703 -12.586 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -12.133 16.856 -12.632 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -13.085 17.397 -11.246 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -11.384 20.503 -10.949 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -12.658 19.473 -10.288 1.00 0.00 H new ATOM 1534 N LEU B 4 -7.437 19.353 -19.367 1.00 0.00 N ATOM 1535 CA LEU B 4 -6.969 18.964 -20.685 1.00 0.00 C ATOM 1536 C LEU B 4 -6.224 17.633 -20.597 1.00 0.00 C ATOM 1537 O LEU B 4 -5.213 17.535 -19.903 1.00 0.00 O ATOM 1538 CB LEU B 4 -6.060 20.082 -21.218 1.00 0.00 C ATOM 1539 CG LEU B 4 -5.494 19.844 -22.631 1.00 0.00 C ATOM 1540 CD1 LEU B 4 -5.295 21.183 -23.351 1.00 0.00 C ATOM 1541 CD2 LEU B 4 -4.117 19.172 -22.607 1.00 0.00 C ATOM 0 H LEU B 4 -7.024 20.227 -19.042 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.806 18.826 -21.369 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.622 21.016 -21.221 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -5.227 20.213 -20.527 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.215 19.201 -23.136 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.895 21.004 -24.349 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.252 21.699 -23.431 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -4.597 21.800 -22.785 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -3.765 19.028 -23.628 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -3.413 19.804 -22.066 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -4.193 18.205 -22.109 1.00 0.00 H new ATOM 1553 N SER B 5 -6.714 16.612 -21.304 1.00 0.00 N ATOM 1554 CA SER B 5 -6.098 15.289 -21.342 1.00 0.00 C ATOM 1555 C SER B 5 -6.581 14.461 -22.535 1.00 0.00 C ATOM 1556 O SER B 5 -6.428 13.242 -22.532 1.00 0.00 O ATOM 1557 CB SER B 5 -6.288 14.553 -20.008 1.00 0.00 C ATOM 1558 OG SER B 5 -7.641 14.601 -19.599 1.00 0.00 O ATOM 0 H SER B 5 -7.559 16.684 -21.871 1.00 0.00 H new ATOM 0 HA SER B 5 -5.027 15.431 -21.485 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.971 13.515 -20.111 1.00 0.00 H new ATOM 0 HB3 SER B 5 -5.656 15.005 -19.244 1.00 0.00 H new ATOM 0 HG SER B 5 -7.743 14.126 -18.748 1.00 0.00 H new ATOM 1564 N ARG B 6 -7.142 15.108 -23.567 1.00 0.00 N ATOM 1565 CA ARG B 6 -7.617 14.413 -24.753 1.00 0.00 C ATOM 1566 C ARG B 6 -6.445 13.668 -25.391 1.00 0.00 C ATOM 1567 O ARG B 6 -6.504 12.455 -25.584 1.00 0.00 O ATOM 1568 CB ARG B 6 -8.267 15.412 -25.721 1.00 0.00 C ATOM 1569 CG ARG B 6 -9.029 14.675 -26.827 1.00 0.00 C ATOM 1570 CD ARG B 6 -9.639 15.664 -27.826 1.00 0.00 C ATOM 1571 NE ARG B 6 -10.563 14.988 -28.750 1.00 0.00 N ATOM 1572 CZ ARG B 6 -10.207 14.203 -29.781 1.00 0.00 C ATOM 1573 NH1 ARG B 6 -8.917 14.034 -30.102 1.00 0.00 N ATOM 1574 NH2 ARG B 6 -11.155 13.579 -30.493 1.00 0.00 N ATOM 0 H ARG B 6 -7.275 16.119 -23.595 1.00 0.00 H new ATOM 0 HA ARG B 6 -8.381 13.682 -24.488 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -8.949 16.064 -25.175 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -7.501 16.049 -26.163 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -8.354 13.996 -27.348 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -9.817 14.065 -26.386 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -10.170 16.448 -27.287 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -8.844 16.149 -28.393 1.00 0.00 H new ATOM 0 HE ARG B 6 -11.561 15.127 -28.594 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -8.191 14.504 -29.561 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -8.661 13.435 -30.887 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -12.138 13.702 -30.251 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -10.893 12.981 -31.277 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.369 14.403 -25.695 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.172 13.818 -26.270 1.00 0.00 C ATOM 1590 C LEU B 7 -3.415 12.979 -25.258 1.00 0.00 C ATOM 1591 O LEU B 7 -2.854 11.971 -25.651 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.292 14.855 -26.994 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.583 16.004 -26.244 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.474 17.021 -25.550 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.412 15.603 -25.339 1.00 0.00 C ATOM 0 H LEU B 7 -5.312 15.411 -25.548 1.00 0.00 H new ATOM 0 HA LEU B 7 -4.495 13.130 -27.051 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.515 14.296 -27.516 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.918 15.319 -27.756 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.152 16.519 -27.103 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.855 17.774 -25.062 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.118 17.502 -26.286 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.089 16.517 -24.804 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.995 16.493 -24.867 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.765 14.916 -24.570 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.642 15.114 -25.936 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.372 13.366 -23.980 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.576 12.652 -22.988 1.00 0.00 C ATOM 1609 C LEU B 8 -3.004 11.196 -22.784 1.00 0.00 C ATOM 1610 O LEU B 8 -2.224 10.406 -22.259 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.381 13.447 -21.691 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.560 14.763 -21.760 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.164 14.665 -22.402 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.386 15.960 -22.248 1.00 0.00 C ATOM 0 H LEU B 8 -3.880 14.170 -23.612 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.577 12.570 -23.416 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.368 13.689 -21.296 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.900 12.791 -20.966 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.317 14.961 -20.716 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.311 15.646 -22.392 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.447 13.961 -21.838 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.260 14.319 -23.431 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.757 16.850 -22.275 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.767 15.755 -23.248 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.222 16.127 -21.568 1.00 0.00 H new ATOM 1626 N SER B 9 -4.202 10.814 -23.242 1.00 0.00 N ATOM 1627 CA SER B 9 -4.665 9.433 -23.187 1.00 0.00 C ATOM 1628 C SER B 9 -3.795 8.524 -24.076 1.00 0.00 C ATOM 1629 O SER B 9 -3.875 7.303 -23.969 1.00 0.00 O ATOM 1630 CB SER B 9 -6.124 9.380 -23.645 1.00 0.00 C ATOM 1631 OG SER B 9 -6.910 10.221 -22.828 1.00 0.00 O ATOM 0 H SER B 9 -4.874 11.458 -23.660 1.00 0.00 H new ATOM 0 HA SER B 9 -4.585 9.071 -22.162 1.00 0.00 H new ATOM 0 HB2 SER B 9 -6.200 9.694 -24.686 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.495 8.356 -23.593 1.00 0.00 H new ATOM 0 HG SER B 9 -6.681 11.157 -23.006 1.00 0.00 H new ATOM 1637 N TYR B 10 -2.971 9.115 -24.954 1.00 0.00 N ATOM 1638 CA TYR B 10 -2.067 8.437 -25.875 1.00 0.00 C ATOM 1639 C TYR B 10 -0.824 7.839 -25.207 1.00 0.00 C ATOM 1640 O TYR B 10 0.026 7.290 -25.908 1.00 0.00 O ATOM 1641 CB TYR B 10 -1.624 9.454 -26.951 1.00 0.00 C ATOM 1642 CG TYR B 10 -0.674 10.593 -26.554 1.00 0.00 C ATOM 1643 CD1 TYR B 10 -0.341 10.889 -25.212 1.00 0.00 C ATOM 1644 CD2 TYR B 10 -0.123 11.394 -27.570 1.00 0.00 C ATOM 1645 CE1 TYR B 10 0.530 11.937 -24.893 1.00 0.00 C ATOM 1646 CE2 TYR B 10 0.751 12.447 -27.251 1.00 0.00 C ATOM 1647 CZ TYR B 10 1.083 12.720 -25.914 1.00 0.00 C ATOM 1648 OH TYR B 10 1.930 13.742 -25.599 1.00 0.00 O ATOM 0 H TYR B 10 -2.920 10.130 -25.040 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.615 7.596 -26.301 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -1.148 8.894 -27.756 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.524 9.907 -27.366 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -0.767 10.295 -24.417 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -0.373 11.199 -28.602 1.00 0.00 H new ATOM 0 HE1 TYR B 10 0.775 12.142 -23.861 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.171 13.052 -28.041 1.00 0.00 H new ATOM 0 HH TYR B 10 2.405 14.034 -26.405 1.00 0.00 H new ATOM 1658 N ALA B 11 -0.679 7.976 -23.885 1.00 0.00 N ATOM 1659 CA ALA B 11 0.501 7.541 -23.159 1.00 0.00 C ATOM 1660 C ALA B 11 0.149 7.262 -21.696 1.00 0.00 C ATOM 1661 O ALA B 11 -0.967 7.649 -21.289 1.00 0.00 O ATOM 1662 CB ALA B 11 1.538 8.670 -23.279 1.00 0.00 C ATOM 1663 OXT ALA B 11 1.075 6.848 -20.963 1.00 0.00 O ATOM 0 H ALA B 11 -1.391 8.398 -23.289 1.00 0.00 H new ATOM 0 HA ALA B 11 0.902 6.614 -23.570 1.00 0.00 H new ATOM 0 HB1 ALA B 11 2.446 8.388 -22.747 1.00 0.00 H new ATOM 0 HB2 ALA B 11 1.771 8.839 -24.330 1.00 0.00 H new ATOM 0 HB3 ALA B 11 1.132 9.584 -22.845 1.00 0.00 H new TER 1669 ALA B 11