USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.0458 (180deg=-0.379) USER MOD Single : A 5 MET CE :methyl 155:sc= -0.0954 (180deg=-0.526) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.563 K(o=-0.56,f=-2.8!) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.259 (180deg=-0.463) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0162) USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= -0.466 (180deg=-2.2) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -58:sc= -1.02 USER MOD Single : A 40 SER OG : rot 83:sc= -0.178 USER MOD Single : A 43 GLN : amide:sc= -0.748 K(o=-0.75,f=-2.5) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -120:sc= 0.813 (180deg=-0.395) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -1.01 (180deg=-3.05!) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.13 (180deg=-0.626) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -136:sc= -3.33 (180deg=-6.05!) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.383 F(o=-1.1,f=-0.38) USER MOD Single : A 91 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.33) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.049) USER MOD Single : A 96 CYS SG : rot -44:sc= -0.499 USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.0632 F(o=-0.67,f=-0.063) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.282 -3.699 -5.153 1.00 44.01 N ATOM 2 CA GLY A 1 1.130 -3.780 -5.482 1.00 34.13 C ATOM 3 C GLY A 1 2.019 -3.612 -4.266 1.00 13.15 C ATOM 4 O GLY A 1 2.318 -4.581 -3.569 1.00 3.23 O ATOM 0 H1 GLY A 1 -0.847 -3.820 -6.017 1.00 44.01 H new ATOM 0 H2 GLY A 1 -0.524 -4.448 -4.474 1.00 44.01 H new ATOM 0 H3 GLY A 1 -0.488 -2.771 -4.732 1.00 44.01 H new ATOM 0 HA2 GLY A 1 1.336 -4.743 -5.949 1.00 34.13 H new ATOM 0 HA3 GLY A 1 1.374 -3.011 -6.215 1.00 34.13 H new ATOM 8 N ALA A 2 2.443 -2.378 -4.011 1.00 20.52 N ATOM 9 CA ALA A 2 3.303 -2.087 -2.870 1.00 51.35 C ATOM 10 C ALA A 2 4.657 -2.774 -3.014 1.00 12.51 C ATOM 11 O ALA A 2 4.781 -3.783 -3.707 1.00 34.14 O ATOM 12 CB ALA A 2 2.626 -2.514 -1.576 1.00 64.34 C ATOM 0 H ALA A 2 2.205 -1.565 -4.579 1.00 20.52 H new ATOM 0 HA ALA A 2 3.473 -1.011 -2.839 1.00 51.35 H new ATOM 0 HB1 ALA A 2 3.279 -2.291 -0.733 1.00 64.34 H new ATOM 0 HB2 ALA A 2 1.687 -1.973 -1.461 1.00 64.34 H new ATOM 0 HB3 ALA A 2 2.426 -3.585 -1.606 1.00 64.34 H new ATOM 18 N MET A 3 5.669 -2.219 -2.355 1.00 42.14 N ATOM 19 CA MET A 3 7.014 -2.779 -2.410 1.00 24.41 C ATOM 20 C MET A 3 7.706 -2.666 -1.055 1.00 40.41 C ATOM 21 O MET A 3 8.933 -2.618 -0.976 1.00 62.25 O ATOM 22 CB MET A 3 7.844 -2.067 -3.480 1.00 74.44 C ATOM 23 CG MET A 3 7.413 -2.396 -4.901 1.00 1.32 C ATOM 24 SD MET A 3 8.073 -3.970 -5.480 1.00 60.42 S ATOM 25 CE MET A 3 9.800 -3.552 -5.705 1.00 51.55 C ATOM 0 H MET A 3 5.583 -1.383 -1.777 1.00 42.14 H new ATOM 0 HA MET A 3 6.930 -3.834 -2.669 1.00 24.41 H new ATOM 0 HB2 MET A 3 7.772 -0.990 -3.327 1.00 74.44 H new ATOM 0 HB3 MET A 3 8.892 -2.338 -3.355 1.00 74.44 H new ATOM 0 HG2 MET A 3 6.324 -2.423 -4.949 1.00 1.32 H new ATOM 0 HG3 MET A 3 7.742 -1.601 -5.570 1.00 1.32 H new ATOM 0 HE1 MET A 3 10.265 -4.275 -6.375 1.00 51.55 H new ATOM 0 HE2 MET A 3 9.880 -2.554 -6.136 1.00 51.55 H new ATOM 0 HE3 MET A 3 10.308 -3.572 -4.741 1.00 51.55 H new ATOM 35 N ALA A 4 6.911 -2.622 0.009 1.00 75.04 N ATOM 36 CA ALA A 4 7.447 -2.516 1.360 1.00 51.53 C ATOM 37 C ALA A 4 7.262 -3.820 2.128 1.00 3.20 C ATOM 38 O ALA A 4 6.661 -3.839 3.201 1.00 15.23 O ATOM 39 CB ALA A 4 6.783 -1.365 2.102 1.00 62.11 C ATOM 0 H ALA A 4 5.893 -2.658 -0.039 1.00 75.04 H new ATOM 0 HA ALA A 4 8.516 -2.318 1.286 1.00 51.53 H new ATOM 0 HB1 ALA A 4 7.193 -1.297 3.110 1.00 62.11 H new ATOM 0 HB2 ALA A 4 6.971 -0.432 1.570 1.00 62.11 H new ATOM 0 HB3 ALA A 4 5.709 -1.540 2.158 1.00 62.11 H new ATOM 45 N MET A 5 7.783 -4.908 1.571 1.00 64.10 N ATOM 46 CA MET A 5 7.676 -6.217 2.205 1.00 11.12 C ATOM 47 C MET A 5 8.675 -6.350 3.350 1.00 0.01 C ATOM 48 O MET A 5 8.574 -7.261 4.171 1.00 3.02 O ATOM 49 CB MET A 5 7.909 -7.326 1.178 1.00 43.04 C ATOM 50 CG MET A 5 6.641 -8.066 0.784 1.00 63.23 C ATOM 51 SD MET A 5 6.861 -9.087 -0.686 1.00 23.41 S ATOM 52 CE MET A 5 8.339 -10.000 -0.246 1.00 54.22 C ATOM 0 H MET A 5 8.283 -4.909 0.682 1.00 64.10 H new ATOM 0 HA MET A 5 6.669 -6.314 2.611 1.00 11.12 H new ATOM 0 HB2 MET A 5 8.360 -6.894 0.285 1.00 43.04 H new ATOM 0 HB3 MET A 5 8.626 -8.040 1.583 1.00 43.04 H new ATOM 0 HG2 MET A 5 6.319 -8.695 1.614 1.00 63.23 H new ATOM 0 HG3 MET A 5 5.845 -7.344 0.604 1.00 63.23 H new ATOM 0 HE1 MET A 5 8.362 -10.942 -0.795 1.00 54.22 H new ATOM 0 HE2 MET A 5 9.220 -9.410 -0.500 1.00 54.22 H new ATOM 0 HE3 MET A 5 8.335 -10.204 0.825 1.00 54.22 H new ATOM 62 N ALA A 6 9.639 -5.436 3.398 1.00 73.12 N ATOM 63 CA ALA A 6 10.655 -5.451 4.443 1.00 73.11 C ATOM 64 C ALA A 6 11.079 -6.877 4.776 1.00 72.51 C ATOM 65 O ALA A 6 10.972 -7.778 3.944 1.00 62.55 O ATOM 66 CB ALA A 6 10.140 -4.747 5.690 1.00 52.15 C ATOM 0 H ALA A 6 9.737 -4.676 2.725 1.00 73.12 H new ATOM 0 HA ALA A 6 11.530 -4.917 4.072 1.00 73.11 H new ATOM 0 HB1 ALA A 6 10.909 -4.766 6.462 1.00 52.15 H new ATOM 0 HB2 ALA A 6 9.893 -3.713 5.448 1.00 52.15 H new ATOM 0 HB3 ALA A 6 9.248 -5.257 6.054 1.00 52.15 H new ATOM 72 N LYS A 7 11.561 -7.076 5.998 1.00 71.41 N ATOM 73 CA LYS A 7 12.001 -8.394 6.442 1.00 1.52 C ATOM 74 C LYS A 7 11.785 -8.562 7.943 1.00 45.31 C ATOM 75 O LYS A 7 11.128 -9.504 8.383 1.00 33.01 O ATOM 76 CB LYS A 7 13.479 -8.602 6.102 1.00 14.31 C ATOM 77 CG LYS A 7 13.780 -9.968 5.511 1.00 40.11 C ATOM 78 CD LYS A 7 14.840 -9.884 4.426 1.00 63.43 C ATOM 79 CE LYS A 7 14.411 -10.626 3.169 1.00 23.31 C ATOM 80 NZ LYS A 7 15.486 -11.522 2.660 1.00 63.22 N ATOM 0 H LYS A 7 11.657 -6.341 6.699 1.00 71.41 H new ATOM 0 HA LYS A 7 11.406 -9.144 5.921 1.00 1.52 H new ATOM 0 HB2 LYS A 7 13.793 -7.833 5.396 1.00 14.31 H new ATOM 0 HB3 LYS A 7 14.074 -8.467 7.006 1.00 14.31 H new ATOM 0 HG2 LYS A 7 14.118 -10.640 6.300 1.00 40.11 H new ATOM 0 HG3 LYS A 7 12.867 -10.396 5.097 1.00 40.11 H new ATOM 0 HD2 LYS A 7 15.033 -8.839 4.185 1.00 63.43 H new ATOM 0 HD3 LYS A 7 15.775 -10.304 4.796 1.00 63.43 H new ATOM 0 HE2 LYS A 7 13.518 -11.214 3.381 1.00 23.31 H new ATOM 0 HE3 LYS A 7 14.142 -9.906 2.396 1.00 23.31 H new ATOM 0 HZ1 LYS A 7 15.155 -12.009 1.803 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 16.330 -10.958 2.433 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 15.725 -12.225 3.388 1.00 63.22 H new ATOM 94 N ALA A 8 12.343 -7.641 8.723 1.00 74.20 N ATOM 95 CA ALA A 8 12.208 -7.686 10.174 1.00 72.23 C ATOM 96 C ALA A 8 12.757 -6.417 10.816 1.00 50.34 C ATOM 97 O ALA A 8 13.970 -6.212 10.870 1.00 53.35 O ATOM 98 CB ALA A 8 12.917 -8.911 10.732 1.00 74.32 C ATOM 0 H ALA A 8 12.892 -6.855 8.374 1.00 74.20 H new ATOM 0 HA ALA A 8 11.147 -7.753 10.413 1.00 72.23 H new ATOM 0 HB1 ALA A 8 12.808 -8.932 11.816 1.00 74.32 H new ATOM 0 HB2 ALA A 8 12.476 -9.812 10.306 1.00 74.32 H new ATOM 0 HB3 ALA A 8 13.975 -8.868 10.474 1.00 74.32 H new ATOM 104 N ARG A 9 11.857 -5.567 11.300 1.00 21.34 N ATOM 105 CA ARG A 9 12.252 -4.317 11.937 1.00 42.40 C ATOM 106 C ARG A 9 12.601 -4.540 13.406 1.00 73.44 C ATOM 107 O ARG A 9 12.512 -5.659 13.913 1.00 52.22 O ATOM 108 CB ARG A 9 11.130 -3.283 11.820 1.00 62.32 C ATOM 109 CG ARG A 9 10.542 -3.179 10.422 1.00 12.12 C ATOM 110 CD ARG A 9 11.530 -2.559 9.447 1.00 61.34 C ATOM 111 NE ARG A 9 10.990 -1.362 8.807 1.00 25.40 N ATOM 112 CZ ARG A 9 11.593 -0.728 7.808 1.00 44.30 C ATOM 113 NH1 ARG A 9 12.750 -1.174 7.337 1.00 54.43 N ATOM 114 NH2 ARG A 9 11.039 0.355 7.278 1.00 44.31 N ATOM 0 H ARG A 9 10.849 -5.722 11.263 1.00 21.34 H new ATOM 0 HA ARG A 9 13.138 -3.942 11.424 1.00 42.40 H new ATOM 0 HB2 ARG A 9 10.336 -3.540 12.521 1.00 62.32 H new ATOM 0 HB3 ARG A 9 11.514 -2.307 12.117 1.00 62.32 H new ATOM 0 HG2 ARG A 9 10.257 -4.171 10.071 1.00 12.12 H new ATOM 0 HG3 ARG A 9 9.633 -2.578 10.452 1.00 12.12 H new ATOM 0 HD2 ARG A 9 12.449 -2.304 9.975 1.00 61.34 H new ATOM 0 HD3 ARG A 9 11.793 -3.291 8.683 1.00 61.34 H new ATOM 0 HE ARG A 9 10.101 -0.993 9.146 1.00 25.40 H new ATOM 0 HH11 ARG A 9 13.179 -2.006 7.742 1.00 54.43 H new ATOM 0 HH12 ARG A 9 13.211 -0.685 6.570 1.00 54.43 H new ATOM 0 HH21 ARG A 9 10.150 0.701 7.638 1.00 44.31 H new ATOM 0 HH22 ARG A 9 11.503 0.842 6.511 1.00 44.31 H new ATOM 128 N LYS A 10 12.998 -3.469 14.084 1.00 63.32 N ATOM 129 CA LYS A 10 13.360 -3.547 15.494 1.00 10.22 C ATOM 130 C LYS A 10 12.882 -2.310 16.247 1.00 15.33 C ATOM 131 O LYS A 10 13.655 -1.622 16.914 1.00 12.22 O ATOM 132 CB LYS A 10 14.876 -3.695 15.646 1.00 54.11 C ATOM 133 CG LYS A 10 15.365 -5.125 15.497 1.00 32.24 C ATOM 134 CD LYS A 10 15.451 -5.828 16.842 1.00 12.51 C ATOM 135 CE LYS A 10 16.894 -6.093 17.241 1.00 63.42 C ATOM 136 NZ LYS A 10 17.260 -7.528 17.077 1.00 13.24 N ATOM 0 H LYS A 10 13.077 -2.536 13.680 1.00 63.32 H new ATOM 0 HA LYS A 10 12.871 -4.423 15.921 1.00 10.22 H new ATOM 0 HB2 LYS A 10 15.370 -3.071 14.901 1.00 54.11 H new ATOM 0 HB3 LYS A 10 15.173 -3.318 16.625 1.00 54.11 H new ATOM 0 HG2 LYS A 10 14.690 -5.675 14.841 1.00 32.24 H new ATOM 0 HG3 LYS A 10 16.345 -5.127 15.021 1.00 32.24 H new ATOM 0 HD2 LYS A 10 14.968 -5.217 17.605 1.00 12.51 H new ATOM 0 HD3 LYS A 10 14.906 -6.771 16.796 1.00 12.51 H new ATOM 0 HE2 LYS A 10 17.558 -5.477 16.634 1.00 63.42 H new ATOM 0 HE3 LYS A 10 17.044 -5.796 18.279 1.00 63.42 H new ATOM 0 HZ1 LYS A 10 18.251 -7.668 17.359 1.00 13.24 H new ATOM 0 HZ2 LYS A 10 16.644 -8.114 17.675 1.00 13.24 H new ATOM 0 HZ3 LYS A 10 17.141 -7.805 16.082 1.00 13.24 H new ATOM 150 N PRO A 11 11.576 -2.019 16.141 1.00 24.13 N ATOM 151 CA PRO A 11 10.966 -0.865 16.807 1.00 13.15 C ATOM 152 C PRO A 11 10.905 -1.035 18.322 1.00 41.23 C ATOM 153 O PRO A 11 9.858 -1.366 18.877 1.00 34.21 O ATOM 154 CB PRO A 11 9.554 -0.821 16.217 1.00 10.24 C ATOM 155 CG PRO A 11 9.275 -2.223 15.797 1.00 42.52 C ATOM 156 CD PRO A 11 10.596 -2.795 15.363 1.00 23.22 C ATOM 0 HA PRO A 11 11.539 0.048 16.646 1.00 13.15 H new ATOM 0 HB2 PRO A 11 8.828 -0.476 16.953 1.00 10.24 H new ATOM 0 HB3 PRO A 11 9.500 -0.136 15.371 1.00 10.24 H new ATOM 0 HG2 PRO A 11 8.851 -2.800 16.619 1.00 42.52 H new ATOM 0 HG3 PRO A 11 8.551 -2.250 14.982 1.00 42.52 H new ATOM 0 HD2 PRO A 11 10.663 -3.861 15.581 1.00 23.22 H new ATOM 0 HD3 PRO A 11 10.751 -2.678 14.290 1.00 23.22 H new ATOM 164 N ARG A 12 12.034 -0.805 18.984 1.00 63.21 N ATOM 165 CA ARG A 12 12.109 -0.934 20.434 1.00 1.32 C ATOM 166 C ARG A 12 11.478 0.274 21.120 1.00 12.33 C ATOM 167 O ARG A 12 10.654 0.127 22.022 1.00 75.21 O ATOM 168 CB ARG A 12 13.565 -1.084 20.880 1.00 52.32 C ATOM 169 CG ARG A 12 14.255 -2.310 20.304 1.00 14.24 C ATOM 170 CD ARG A 12 15.104 -3.014 21.351 1.00 10.31 C ATOM 171 NE ARG A 12 16.129 -2.134 21.906 1.00 11.13 N ATOM 172 CZ ARG A 12 17.274 -1.860 21.291 1.00 10.13 C ATOM 173 NH1 ARG A 12 17.539 -2.394 20.107 1.00 34.01 N ATOM 174 NH2 ARG A 12 18.157 -1.049 21.861 1.00 70.52 N ATOM 0 H ARG A 12 12.909 -0.528 18.539 1.00 63.21 H new ATOM 0 HA ARG A 12 11.554 -1.826 20.723 1.00 1.32 H new ATOM 0 HB2 ARG A 12 14.120 -0.193 20.586 1.00 52.32 H new ATOM 0 HB3 ARG A 12 13.599 -1.136 21.968 1.00 52.32 H new ATOM 0 HG2 ARG A 12 13.507 -3.001 19.916 1.00 14.24 H new ATOM 0 HG3 ARG A 12 14.883 -2.014 19.463 1.00 14.24 H new ATOM 0 HD2 ARG A 12 14.463 -3.375 22.155 1.00 10.31 H new ATOM 0 HD3 ARG A 12 15.579 -3.888 20.905 1.00 10.31 H new ATOM 0 HE ARG A 12 15.956 -1.706 22.816 1.00 11.13 H new ATOM 0 HH11 ARG A 12 16.863 -3.017 19.666 1.00 34.01 H new ATOM 0 HH12 ARG A 12 18.419 -2.182 19.637 1.00 34.01 H new ATOM 0 HH21 ARG A 12 17.956 -0.636 22.772 1.00 70.52 H new ATOM 0 HH22 ARG A 12 19.036 -0.839 21.388 1.00 70.52 H new ATOM 188 N GLU A 13 11.872 1.468 20.687 1.00 73.44 N ATOM 189 CA GLU A 13 11.345 2.700 21.261 1.00 51.24 C ATOM 190 C GLU A 13 9.904 2.934 20.817 1.00 14.33 C ATOM 191 O GLU A 13 9.177 3.723 21.422 1.00 65.31 O ATOM 192 CB GLU A 13 12.215 3.891 20.853 1.00 0.24 C ATOM 193 CG GLU A 13 12.910 4.565 22.024 1.00 5.41 C ATOM 194 CD GLU A 13 13.219 6.026 21.757 1.00 71.20 C ATOM 195 OE1 GLU A 13 13.042 6.467 20.602 1.00 45.10 O ATOM 196 OE2 GLU A 13 13.637 6.727 22.702 1.00 53.01 O ATOM 0 H GLU A 13 12.554 1.608 19.941 1.00 73.44 H new ATOM 0 HA GLU A 13 11.361 2.601 22.346 1.00 51.24 H new ATOM 0 HB2 GLU A 13 12.967 3.554 20.140 1.00 0.24 H new ATOM 0 HB3 GLU A 13 11.594 4.624 20.338 1.00 0.24 H new ATOM 0 HG2 GLU A 13 12.280 4.487 22.910 1.00 5.41 H new ATOM 0 HG3 GLU A 13 13.837 4.036 22.245 1.00 5.41 H new ATOM 203 N ALA A 14 9.497 2.244 19.757 1.00 22.41 N ATOM 204 CA ALA A 14 8.143 2.374 19.233 1.00 3.53 C ATOM 205 C ALA A 14 7.131 1.699 20.152 1.00 23.05 C ATOM 206 O ALA A 14 6.098 2.280 20.489 1.00 64.41 O ATOM 207 CB ALA A 14 8.061 1.787 17.832 1.00 54.50 C ATOM 0 H ALA A 14 10.086 1.589 19.244 1.00 22.41 H new ATOM 0 HA ALA A 14 7.899 3.435 19.185 1.00 3.53 H new ATOM 0 HB1 ALA A 14 7.044 1.891 17.453 1.00 54.50 H new ATOM 0 HB2 ALA A 14 8.749 2.318 17.174 1.00 54.50 H new ATOM 0 HB3 ALA A 14 8.330 0.731 17.863 1.00 54.50 H new ATOM 213 N LEU A 15 7.433 0.470 20.555 1.00 23.41 N ATOM 214 CA LEU A 15 6.549 -0.286 21.436 1.00 41.13 C ATOM 215 C LEU A 15 6.392 0.415 22.781 1.00 32.03 C ATOM 216 O LEU A 15 5.328 0.363 23.400 1.00 20.10 O ATOM 217 CB LEU A 15 7.092 -1.700 21.645 1.00 65.50 C ATOM 218 CG LEU A 15 7.805 -1.956 22.974 1.00 75.22 C ATOM 219 CD1 LEU A 15 6.888 -2.695 23.937 1.00 64.43 C ATOM 220 CD2 LEU A 15 9.089 -2.741 22.748 1.00 11.53 C ATOM 0 H LEU A 15 8.283 -0.025 20.286 1.00 23.41 H new ATOM 0 HA LEU A 15 5.569 -0.347 20.962 1.00 41.13 H new ATOM 0 HB2 LEU A 15 6.263 -2.402 21.559 1.00 65.50 H new ATOM 0 HB3 LEU A 15 7.785 -1.925 20.835 1.00 65.50 H new ATOM 0 HG LEU A 15 8.064 -0.994 23.417 1.00 75.22 H new ATOM 0 HD11 LEU A 15 7.412 -2.869 24.877 1.00 64.43 H new ATOM 0 HD12 LEU A 15 5.997 -2.096 24.123 1.00 64.43 H new ATOM 0 HD13 LEU A 15 6.598 -3.651 23.502 1.00 64.43 H new ATOM 0 HD21 LEU A 15 9.583 -2.914 23.704 1.00 11.53 H new ATOM 0 HD22 LEU A 15 8.853 -3.698 22.283 1.00 11.53 H new ATOM 0 HD23 LEU A 15 9.752 -2.174 22.095 1.00 11.53 H new ATOM 232 N LEU A 16 7.456 1.072 23.228 1.00 24.11 N ATOM 233 CA LEU A 16 7.436 1.786 24.500 1.00 45.20 C ATOM 234 C LEU A 16 6.623 3.072 24.390 1.00 74.41 C ATOM 235 O LEU A 16 5.891 3.435 25.311 1.00 44.40 O ATOM 236 CB LEU A 16 8.863 2.109 24.948 1.00 11.05 C ATOM 237 CG LEU A 16 9.875 0.968 24.841 1.00 33.32 C ATOM 238 CD1 LEU A 16 11.289 1.486 25.051 1.00 12.51 C ATOM 239 CD2 LEU A 16 9.552 -0.128 25.847 1.00 52.30 C ATOM 0 H LEU A 16 8.344 1.125 22.729 1.00 24.11 H new ATOM 0 HA LEU A 16 6.965 1.142 25.243 1.00 45.20 H new ATOM 0 HB2 LEU A 16 9.227 2.948 24.355 1.00 11.05 H new ATOM 0 HB3 LEU A 16 8.830 2.442 25.985 1.00 11.05 H new ATOM 0 HG LEU A 16 9.811 0.545 23.839 1.00 33.32 H new ATOM 0 HD11 LEU A 16 11.995 0.659 24.971 1.00 12.51 H new ATOM 0 HD12 LEU A 16 11.519 2.234 24.292 1.00 12.51 H new ATOM 0 HD13 LEU A 16 11.368 1.936 26.040 1.00 12.51 H new ATOM 0 HD21 LEU A 16 10.283 -0.932 25.756 1.00 52.30 H new ATOM 0 HD22 LEU A 16 9.587 0.282 26.856 1.00 52.30 H new ATOM 0 HD23 LEU A 16 8.554 -0.521 25.650 1.00 52.30 H new ATOM 251 N TRP A 17 6.753 3.753 23.258 1.00 64.04 N ATOM 252 CA TRP A 17 6.028 4.997 23.026 1.00 10.14 C ATOM 253 C TRP A 17 4.556 4.723 22.738 1.00 10.54 C ATOM 254 O TRP A 17 3.686 5.517 23.096 1.00 3.21 O ATOM 255 CB TRP A 17 6.654 5.767 21.862 1.00 14.44 C ATOM 256 CG TRP A 17 7.215 7.098 22.264 1.00 22.41 C ATOM 257 CD1 TRP A 17 6.994 8.299 21.653 1.00 65.22 C ATOM 258 CD2 TRP A 17 8.092 7.361 23.365 1.00 61.51 C ATOM 259 NE1 TRP A 17 7.681 9.293 22.307 1.00 24.44 N ATOM 260 CE2 TRP A 17 8.362 8.743 23.362 1.00 52.13 C ATOM 261 CE3 TRP A 17 8.674 6.563 24.354 1.00 11.31 C ATOM 262 CZ2 TRP A 17 9.188 9.342 24.308 1.00 4.24 C ATOM 263 CZ3 TRP A 17 9.494 7.159 25.293 1.00 44.32 C ATOM 264 CH2 TRP A 17 9.745 8.538 25.265 1.00 31.43 C ATOM 0 H TRP A 17 7.354 3.465 22.486 1.00 64.04 H new ATOM 0 HA TRP A 17 6.096 5.602 23.930 1.00 10.14 H new ATOM 0 HB2 TRP A 17 7.448 5.164 21.422 1.00 14.44 H new ATOM 0 HB3 TRP A 17 5.901 5.917 21.088 1.00 14.44 H new ATOM 0 HD1 TRP A 17 6.371 8.446 20.783 1.00 65.22 H new ATOM 0 HE1 TRP A 17 7.684 10.280 22.049 1.00 24.44 H new ATOM 0 HE3 TRP A 17 8.486 5.500 24.384 1.00 11.31 H new ATOM 0 HZ2 TRP A 17 9.383 10.404 24.288 1.00 4.24 H new ATOM 0 HZ3 TRP A 17 9.949 6.552 26.062 1.00 44.32 H new ATOM 0 HH2 TRP A 17 10.390 8.974 26.013 1.00 31.43 H new ATOM 275 N ALA A 18 4.284 3.596 22.090 1.00 31.43 N ATOM 276 CA ALA A 18 2.916 3.217 21.757 1.00 44.03 C ATOM 277 C ALA A 18 2.158 2.753 22.995 1.00 15.14 C ATOM 278 O ALA A 18 1.130 3.328 23.358 1.00 5.15 O ATOM 279 CB ALA A 18 2.914 2.127 20.695 1.00 25.02 C ATOM 0 H ALA A 18 4.993 2.929 21.785 1.00 31.43 H new ATOM 0 HA ALA A 18 2.408 4.096 21.361 1.00 44.03 H new ATOM 0 HB1 ALA A 18 1.886 1.854 20.456 1.00 25.02 H new ATOM 0 HB2 ALA A 18 3.410 2.494 19.796 1.00 25.02 H new ATOM 0 HB3 ALA A 18 3.444 1.252 21.071 1.00 25.02 H new ATOM 285 N LEU A 19 2.668 1.710 23.640 1.00 4.12 N ATOM 286 CA LEU A 19 2.038 1.168 24.839 1.00 61.01 C ATOM 287 C LEU A 19 1.844 2.255 25.891 1.00 54.20 C ATOM 288 O LEU A 19 0.971 2.150 26.752 1.00 14.34 O ATOM 289 CB LEU A 19 2.884 0.031 25.414 1.00 5.14 C ATOM 290 CG LEU A 19 4.193 0.444 26.090 1.00 73.11 C ATOM 291 CD1 LEU A 19 3.936 0.899 27.518 1.00 34.42 C ATOM 292 CD2 LEU A 19 5.191 -0.704 26.065 1.00 20.33 C ATOM 0 H LEU A 19 3.517 1.222 23.353 1.00 4.12 H new ATOM 0 HA LEU A 19 1.059 0.779 24.561 1.00 61.01 H new ATOM 0 HB2 LEU A 19 2.280 -0.514 26.139 1.00 5.14 H new ATOM 0 HB3 LEU A 19 3.118 -0.664 24.608 1.00 5.14 H new ATOM 0 HG LEU A 19 4.618 1.281 25.535 1.00 73.11 H new ATOM 0 HD11 LEU A 19 4.878 1.189 27.983 1.00 34.42 H new ATOM 0 HD12 LEU A 19 3.257 1.752 27.512 1.00 34.42 H new ATOM 0 HD13 LEU A 19 3.488 0.083 28.085 1.00 34.42 H new ATOM 0 HD21 LEU A 19 6.116 -0.392 26.550 1.00 20.33 H new ATOM 0 HD22 LEU A 19 4.774 -1.560 26.595 1.00 20.33 H new ATOM 0 HD23 LEU A 19 5.399 -0.983 25.032 1.00 20.33 H new ATOM 304 N SER A 20 2.662 3.300 25.813 1.00 33.12 N ATOM 305 CA SER A 20 2.581 4.406 26.760 1.00 52.34 C ATOM 306 C SER A 20 1.628 5.485 26.254 1.00 51.10 C ATOM 307 O SER A 20 1.157 6.323 27.023 1.00 34.23 O ATOM 308 CB SER A 20 3.968 5.006 26.996 1.00 64.50 C ATOM 309 OG SER A 20 3.905 6.100 27.894 1.00 61.10 O ATOM 0 H SER A 20 3.388 3.404 25.104 1.00 33.12 H new ATOM 0 HA SER A 20 2.196 4.017 27.703 1.00 52.34 H new ATOM 0 HB2 SER A 20 4.635 4.242 27.395 1.00 64.50 H new ATOM 0 HB3 SER A 20 4.392 5.335 26.047 1.00 64.50 H new ATOM 0 HG SER A 20 4.805 6.465 28.029 1.00 61.10 H new ATOM 315 N ASP A 21 1.349 5.458 24.955 1.00 20.35 N ATOM 316 CA ASP A 21 0.452 6.432 24.345 1.00 13.04 C ATOM 317 C ASP A 21 -0.990 6.190 24.780 1.00 33.34 C ATOM 318 O ASP A 21 -1.850 7.059 24.630 1.00 2.12 O ATOM 319 CB ASP A 21 0.555 6.368 22.821 1.00 62.12 C ATOM 320 CG ASP A 21 -0.509 7.200 22.133 1.00 71.13 C ATOM 321 OD1 ASP A 21 -1.662 6.730 22.041 1.00 31.33 O ATOM 322 OD2 ASP A 21 -0.189 8.321 21.685 1.00 43.02 O ATOM 0 H ASP A 21 1.731 4.772 24.304 1.00 20.35 H new ATOM 0 HA ASP A 21 0.752 7.425 24.680 1.00 13.04 H new ATOM 0 HB2 ASP A 21 1.541 6.716 22.512 1.00 62.12 H new ATOM 0 HB3 ASP A 21 0.467 5.331 22.497 1.00 62.12 H new ATOM 327 N LEU A 22 -1.249 5.003 25.319 1.00 42.13 N ATOM 328 CA LEU A 22 -2.587 4.645 25.775 1.00 55.21 C ATOM 329 C LEU A 22 -2.665 4.659 27.298 1.00 33.42 C ATOM 330 O LEU A 22 -1.648 4.549 27.982 1.00 71.03 O ATOM 331 CB LEU A 22 -2.976 3.264 25.245 1.00 22.32 C ATOM 332 CG LEU A 22 -1.832 2.262 25.081 1.00 52.01 C ATOM 333 CD1 LEU A 22 -2.268 0.876 25.531 1.00 42.13 C ATOM 334 CD2 LEU A 22 -1.354 2.230 23.636 1.00 14.45 C ATOM 0 H LEU A 22 -0.549 4.272 25.451 1.00 42.13 H new ATOM 0 HA LEU A 22 -3.286 5.386 25.387 1.00 55.21 H new ATOM 0 HB2 LEU A 22 -3.716 2.833 25.919 1.00 22.32 H new ATOM 0 HB3 LEU A 22 -3.462 3.392 24.278 1.00 22.32 H new ATOM 0 HG LEU A 22 -1.001 2.581 25.710 1.00 52.01 H new ATOM 0 HD11 LEU A 22 -1.441 0.176 25.407 1.00 42.13 H new ATOM 0 HD12 LEU A 22 -2.561 0.910 26.580 1.00 42.13 H new ATOM 0 HD13 LEU A 22 -3.115 0.547 24.928 1.00 42.13 H new ATOM 0 HD21 LEU A 22 -0.540 1.512 23.538 1.00 14.45 H new ATOM 0 HD22 LEU A 22 -2.178 1.935 22.987 1.00 14.45 H new ATOM 0 HD23 LEU A 22 -1.001 3.220 23.348 1.00 14.45 H new ATOM 346 N GLU A 23 -3.880 4.792 27.822 1.00 23.25 N ATOM 347 CA GLU A 23 -4.089 4.818 29.265 1.00 35.23 C ATOM 348 C GLU A 23 -3.899 3.429 29.868 1.00 74.32 C ATOM 349 O GLU A 23 -4.063 2.418 29.186 1.00 60.14 O ATOM 350 CB GLU A 23 -5.491 5.339 29.590 1.00 41.21 C ATOM 351 CG GLU A 23 -5.659 6.829 29.341 1.00 22.25 C ATOM 352 CD GLU A 23 -6.363 7.535 30.484 1.00 40.03 C ATOM 353 OE1 GLU A 23 -5.778 7.614 31.584 1.00 42.32 O ATOM 354 OE2 GLU A 23 -7.500 8.009 30.277 1.00 61.34 O ATOM 0 H GLU A 23 -4.733 4.883 27.270 1.00 23.25 H new ATOM 0 HA GLU A 23 -3.349 5.489 29.701 1.00 35.23 H new ATOM 0 HB2 GLU A 23 -6.220 4.794 28.990 1.00 41.21 H new ATOM 0 HB3 GLU A 23 -5.715 5.126 30.635 1.00 41.21 H new ATOM 0 HG2 GLU A 23 -4.679 7.281 29.188 1.00 22.25 H new ATOM 0 HG3 GLU A 23 -6.226 6.979 28.422 1.00 22.25 H new ATOM 361 N GLU A 24 -3.553 3.389 31.151 1.00 64.14 N ATOM 362 CA GLU A 24 -3.339 2.124 31.844 1.00 2.34 C ATOM 363 C GLU A 24 -4.617 1.291 31.862 1.00 21.24 C ATOM 364 O GLU A 24 -4.569 0.062 31.831 1.00 34.12 O ATOM 365 CB GLU A 24 -2.861 2.377 33.276 1.00 35.11 C ATOM 366 CG GLU A 24 -3.986 2.396 34.298 1.00 3.30 C ATOM 367 CD GLU A 24 -4.895 3.600 34.143 1.00 62.14 C ATOM 368 OE1 GLU A 24 -4.534 4.522 33.382 1.00 75.03 O ATOM 369 OE2 GLU A 24 -5.967 3.619 34.782 1.00 13.03 O ATOM 0 H GLU A 24 -3.415 4.217 31.731 1.00 64.14 H new ATOM 0 HA GLU A 24 -2.572 1.568 31.305 1.00 2.34 H new ATOM 0 HB2 GLU A 24 -2.143 1.605 33.552 1.00 35.11 H new ATOM 0 HB3 GLU A 24 -2.333 3.330 33.311 1.00 35.11 H new ATOM 0 HG2 GLU A 24 -4.576 1.485 34.200 1.00 3.30 H new ATOM 0 HG3 GLU A 24 -3.560 2.394 35.301 1.00 3.30 H new ATOM 376 N ASN A 25 -5.758 1.970 31.914 1.00 74.34 N ATOM 377 CA ASN A 25 -7.050 1.293 31.937 1.00 21.40 C ATOM 378 C ASN A 25 -7.399 0.738 30.559 1.00 3.40 C ATOM 379 O ASN A 25 -8.486 0.199 30.353 1.00 62.43 O ATOM 380 CB ASN A 25 -8.145 2.254 32.405 1.00 63.24 C ATOM 381 CG ASN A 25 -8.794 1.805 33.699 1.00 33.42 C ATOM 382 OD1 ASN A 25 -8.820 0.615 34.014 1.00 64.44 O ATOM 383 ND2 ASN A 25 -9.324 2.758 34.457 1.00 21.20 N ATOM 0 H ASN A 25 -5.815 2.988 31.941 1.00 74.34 H new ATOM 0 HA ASN A 25 -6.983 0.461 32.637 1.00 21.40 H new ATOM 0 HB2 ASN A 25 -7.718 3.248 32.541 1.00 63.24 H new ATOM 0 HB3 ASN A 25 -8.907 2.338 31.630 1.00 63.24 H new ATOM 0 HD21 ASN A 25 -9.775 2.516 35.339 1.00 21.20 H new ATOM 0 HD22 ASN A 25 -9.280 3.732 34.157 1.00 21.20 H new ATOM 390 N ASP A 26 -6.469 0.875 29.620 1.00 52.41 N ATOM 391 CA ASP A 26 -6.677 0.387 28.262 1.00 41.14 C ATOM 392 C ASP A 26 -5.728 -0.766 27.947 1.00 14.45 C ATOM 393 O ASP A 26 -6.161 -1.854 27.569 1.00 74.04 O ATOM 394 CB ASP A 26 -6.475 1.519 27.253 1.00 0.43 C ATOM 395 CG ASP A 26 -7.585 2.550 27.310 1.00 13.12 C ATOM 396 OD1 ASP A 26 -8.456 2.437 28.199 1.00 64.21 O ATOM 397 OD2 ASP A 26 -7.584 3.470 26.466 1.00 4.55 O ATOM 0 H ASP A 26 -5.564 1.320 29.775 1.00 52.41 H new ATOM 0 HA ASP A 26 -7.701 0.022 28.187 1.00 41.14 H new ATOM 0 HB2 ASP A 26 -5.520 2.007 27.445 1.00 0.43 H new ATOM 0 HB3 ASP A 26 -6.423 1.101 26.248 1.00 0.43 H new ATOM 402 N PHE A 27 -4.432 -0.519 28.106 1.00 13.34 N ATOM 403 CA PHE A 27 -3.422 -1.535 27.838 1.00 62.22 C ATOM 404 C PHE A 27 -3.596 -2.734 28.766 1.00 40.21 C ATOM 405 O PHE A 27 -3.393 -3.880 28.364 1.00 13.22 O ATOM 406 CB PHE A 27 -2.019 -0.947 28.004 1.00 52.20 C ATOM 407 CG PHE A 27 -1.246 -1.553 29.140 1.00 44.22 C ATOM 408 CD1 PHE A 27 -1.322 -1.013 30.414 1.00 54.14 C ATOM 409 CD2 PHE A 27 -0.442 -2.663 28.934 1.00 11.40 C ATOM 410 CE1 PHE A 27 -0.611 -1.568 31.460 1.00 21.23 C ATOM 411 CE2 PHE A 27 0.271 -3.223 29.977 1.00 4.40 C ATOM 412 CZ PHE A 27 0.186 -2.675 31.242 1.00 30.10 C ATOM 0 H PHE A 27 -4.057 0.376 28.419 1.00 13.34 H new ATOM 0 HA PHE A 27 -3.547 -1.873 26.809 1.00 62.22 H new ATOM 0 HB2 PHE A 27 -1.462 -1.091 27.078 1.00 52.20 H new ATOM 0 HB3 PHE A 27 -2.101 0.128 28.163 1.00 52.20 H new ATOM 0 HD1 PHE A 27 -1.944 -0.148 30.591 1.00 54.14 H new ATOM 0 HD2 PHE A 27 -0.372 -3.095 27.947 1.00 11.40 H new ATOM 0 HE1 PHE A 27 -0.678 -1.137 32.448 1.00 21.23 H new ATOM 0 HE2 PHE A 27 0.894 -4.088 29.803 1.00 4.40 H new ATOM 0 HZ PHE A 27 0.742 -3.111 32.059 1.00 30.10 H new ATOM 422 N LYS A 28 -3.973 -2.461 30.011 1.00 43.25 N ATOM 423 CA LYS A 28 -4.175 -3.515 30.998 1.00 55.44 C ATOM 424 C LYS A 28 -5.322 -4.432 30.586 1.00 71.40 C ATOM 425 O LYS A 28 -5.208 -5.656 30.657 1.00 21.22 O ATOM 426 CB LYS A 28 -4.464 -2.906 32.372 1.00 44.11 C ATOM 427 CG LYS A 28 -5.021 -3.902 33.374 1.00 63.32 C ATOM 428 CD LYS A 28 -6.539 -3.858 33.419 1.00 61.01 C ATOM 429 CE LYS A 28 -7.061 -4.076 34.831 1.00 71.13 C ATOM 430 NZ LYS A 28 -7.908 -5.297 34.927 1.00 63.45 N ATOM 0 H LYS A 28 -4.145 -1.518 30.360 1.00 43.25 H new ATOM 0 HA LYS A 28 -3.261 -4.107 31.054 1.00 55.44 H new ATOM 0 HB2 LYS A 28 -3.544 -2.478 32.771 1.00 44.11 H new ATOM 0 HB3 LYS A 28 -5.173 -2.086 32.255 1.00 44.11 H new ATOM 0 HG2 LYS A 28 -4.693 -4.907 33.110 1.00 63.32 H new ATOM 0 HG3 LYS A 28 -4.620 -3.686 34.364 1.00 63.32 H new ATOM 0 HD2 LYS A 28 -6.887 -2.895 33.046 1.00 61.01 H new ATOM 0 HD3 LYS A 28 -6.946 -4.623 32.757 1.00 61.01 H new ATOM 0 HE2 LYS A 28 -6.220 -4.162 35.520 1.00 71.13 H new ATOM 0 HE3 LYS A 28 -7.640 -3.207 35.142 1.00 71.13 H new ATOM 0 HZ1 LYS A 28 -8.090 -5.515 35.927 1.00 63.45 H new ATOM 0 HZ2 LYS A 28 -8.811 -5.132 34.439 1.00 63.45 H new ATOM 0 HZ3 LYS A 28 -7.415 -6.097 34.482 1.00 63.45 H new ATOM 444 N LYS A 29 -6.427 -3.834 30.154 1.00 41.02 N ATOM 445 CA LYS A 29 -7.594 -4.597 29.728 1.00 51.25 C ATOM 446 C LYS A 29 -7.215 -5.622 28.663 1.00 13.15 C ATOM 447 O LYS A 29 -7.740 -6.736 28.646 1.00 62.32 O ATOM 448 CB LYS A 29 -8.673 -3.657 29.184 1.00 3.12 C ATOM 449 CG LYS A 29 -9.747 -3.312 30.201 1.00 73.02 C ATOM 450 CD LYS A 29 -9.155 -2.658 31.438 1.00 53.53 C ATOM 451 CE LYS A 29 -10.201 -1.859 32.200 1.00 12.24 C ATOM 452 NZ LYS A 29 -11.299 -2.727 32.710 1.00 4.33 N ATOM 0 H LYS A 29 -6.539 -2.822 30.090 1.00 41.02 H new ATOM 0 HA LYS A 29 -7.986 -5.128 30.596 1.00 51.25 H new ATOM 0 HB2 LYS A 29 -8.201 -2.737 28.839 1.00 3.12 H new ATOM 0 HB3 LYS A 29 -9.142 -4.119 28.315 1.00 3.12 H new ATOM 0 HG2 LYS A 29 -10.476 -2.641 29.748 1.00 73.02 H new ATOM 0 HG3 LYS A 29 -10.282 -4.217 30.488 1.00 73.02 H new ATOM 0 HD2 LYS A 29 -8.734 -3.424 32.090 1.00 53.53 H new ATOM 0 HD3 LYS A 29 -8.335 -2.002 31.147 1.00 53.53 H new ATOM 0 HE2 LYS A 29 -9.727 -1.344 33.036 1.00 12.24 H new ATOM 0 HE3 LYS A 29 -10.618 -1.091 31.548 1.00 12.24 H new ATOM 0 HZ1 LYS A 29 -11.946 -2.160 33.294 1.00 4.33 H new ATOM 0 HZ2 LYS A 29 -11.822 -3.133 31.908 1.00 4.33 H new ATOM 0 HZ3 LYS A 29 -10.896 -3.495 33.284 1.00 4.33 H new ATOM 466 N LEU A 30 -6.301 -5.239 27.779 1.00 71.31 N ATOM 467 CA LEU A 30 -5.850 -6.126 26.712 1.00 74.21 C ATOM 468 C LEU A 30 -4.998 -7.261 27.271 1.00 44.33 C ATOM 469 O LEU A 30 -5.274 -8.436 27.031 1.00 32.20 O ATOM 470 CB LEU A 30 -5.053 -5.339 25.670 1.00 34.12 C ATOM 471 CG LEU A 30 -5.419 -3.862 25.521 1.00 50.10 C ATOM 472 CD1 LEU A 30 -4.638 -3.232 24.378 1.00 13.42 C ATOM 473 CD2 LEU A 30 -6.916 -3.703 25.298 1.00 1.23 C ATOM 0 H LEU A 30 -5.857 -4.320 27.780 1.00 71.31 H new ATOM 0 HA LEU A 30 -6.730 -6.558 26.236 1.00 74.21 H new ATOM 0 HB2 LEU A 30 -3.995 -5.407 25.924 1.00 34.12 H new ATOM 0 HB3 LEU A 30 -5.180 -5.824 24.702 1.00 34.12 H new ATOM 0 HG LEU A 30 -5.153 -3.346 26.444 1.00 50.10 H new ATOM 0 HD11 LEU A 30 -4.911 -2.181 24.287 1.00 13.42 H new ATOM 0 HD12 LEU A 30 -3.570 -3.313 24.579 1.00 13.42 H new ATOM 0 HD13 LEU A 30 -4.873 -3.750 23.448 1.00 13.42 H new ATOM 0 HD21 LEU A 30 -7.158 -2.645 25.194 1.00 1.23 H new ATOM 0 HD22 LEU A 30 -7.207 -4.233 24.391 1.00 1.23 H new ATOM 0 HD23 LEU A 30 -7.457 -4.117 26.149 1.00 1.23 H new ATOM 485 N LYS A 31 -3.960 -6.901 28.019 1.00 51.23 N ATOM 486 CA LYS A 31 -3.068 -7.887 28.616 1.00 63.44 C ATOM 487 C LYS A 31 -3.853 -8.906 29.436 1.00 12.51 C ATOM 488 O LYS A 31 -3.424 -10.047 29.603 1.00 62.31 O ATOM 489 CB LYS A 31 -2.028 -7.196 29.501 1.00 54.12 C ATOM 490 CG LYS A 31 -1.149 -6.211 28.750 1.00 12.43 C ATOM 491 CD LYS A 31 -0.295 -6.909 27.706 1.00 50.04 C ATOM 492 CE LYS A 31 0.296 -5.917 26.715 1.00 23.34 C ATOM 493 NZ LYS A 31 -0.758 -5.253 25.899 1.00 25.13 N ATOM 0 H LYS A 31 -3.716 -5.932 28.226 1.00 51.23 H new ATOM 0 HA LYS A 31 -2.557 -8.413 27.809 1.00 63.44 H new ATOM 0 HB2 LYS A 31 -2.540 -6.671 30.307 1.00 54.12 H new ATOM 0 HB3 LYS A 31 -1.396 -7.954 29.964 1.00 54.12 H new ATOM 0 HG2 LYS A 31 -1.774 -5.460 28.267 1.00 12.43 H new ATOM 0 HG3 LYS A 31 -0.505 -5.685 29.455 1.00 12.43 H new ATOM 0 HD2 LYS A 31 0.509 -7.456 28.199 1.00 50.04 H new ATOM 0 HD3 LYS A 31 -0.899 -7.643 27.172 1.00 50.04 H new ATOM 0 HE2 LYS A 31 0.867 -5.162 27.254 1.00 23.34 H new ATOM 0 HE3 LYS A 31 0.994 -6.434 26.056 1.00 23.34 H new ATOM 0 HZ1 LYS A 31 -0.490 -5.284 24.895 1.00 25.13 H new ATOM 0 HZ2 LYS A 31 -1.663 -5.748 26.031 1.00 25.13 H new ATOM 0 HZ3 LYS A 31 -0.858 -4.263 26.200 1.00 25.13 H new ATOM 507 N PHE A 32 -5.006 -8.485 29.945 1.00 34.23 N ATOM 508 CA PHE A 32 -5.852 -9.361 30.748 1.00 11.11 C ATOM 509 C PHE A 32 -6.437 -10.483 29.896 1.00 61.34 C ATOM 510 O PHE A 32 -6.402 -11.652 30.280 1.00 34.35 O ATOM 511 CB PHE A 32 -6.981 -8.559 31.399 1.00 2.40 C ATOM 512 CG PHE A 32 -7.796 -9.356 32.376 1.00 15.13 C ATOM 513 CD1 PHE A 32 -7.179 -10.138 33.338 1.00 24.54 C ATOM 514 CD2 PHE A 32 -9.181 -9.322 32.333 1.00 21.32 C ATOM 515 CE1 PHE A 32 -7.927 -10.874 34.238 1.00 1.43 C ATOM 516 CE2 PHE A 32 -9.935 -10.055 33.231 1.00 65.02 C ATOM 517 CZ PHE A 32 -9.306 -10.831 34.185 1.00 15.13 C ATOM 0 H PHE A 32 -5.376 -7.543 29.816 1.00 34.23 H new ATOM 0 HA PHE A 32 -5.234 -9.805 31.528 1.00 11.11 H new ATOM 0 HB2 PHE A 32 -6.555 -7.697 31.912 1.00 2.40 H new ATOM 0 HB3 PHE A 32 -7.638 -8.173 30.620 1.00 2.40 H new ATOM 0 HD1 PHE A 32 -6.101 -10.173 33.386 1.00 24.54 H new ATOM 0 HD2 PHE A 32 -9.677 -8.716 31.589 1.00 21.32 H new ATOM 0 HE1 PHE A 32 -7.433 -11.482 34.982 1.00 1.43 H new ATOM 0 HE2 PHE A 32 -11.014 -10.021 33.187 1.00 65.02 H new ATOM 0 HZ PHE A 32 -9.892 -11.403 34.889 1.00 15.13 H new ATOM 527 N TYR A 33 -6.974 -10.119 28.736 1.00 23.15 N ATOM 528 CA TYR A 33 -7.569 -11.094 27.830 1.00 11.21 C ATOM 529 C TYR A 33 -6.564 -11.540 26.773 1.00 43.43 C ATOM 530 O TYR A 33 -6.300 -12.732 26.613 1.00 23.14 O ATOM 531 CB TYR A 33 -8.808 -10.503 27.155 1.00 71.31 C ATOM 532 CG TYR A 33 -9.994 -11.441 27.139 1.00 61.21 C ATOM 533 CD1 TYR A 33 -9.918 -12.679 26.512 1.00 43.31 C ATOM 534 CD2 TYR A 33 -11.190 -11.090 27.752 1.00 75.10 C ATOM 535 CE1 TYR A 33 -10.999 -13.538 26.494 1.00 20.33 C ATOM 536 CE2 TYR A 33 -12.276 -11.944 27.741 1.00 54.04 C ATOM 537 CZ TYR A 33 -12.176 -13.167 27.110 1.00 1.41 C ATOM 538 OH TYR A 33 -13.255 -14.021 27.096 1.00 42.31 O ATOM 0 H TYR A 33 -7.009 -9.156 28.402 1.00 23.15 H new ATOM 0 HA TYR A 33 -7.863 -11.965 28.416 1.00 11.21 H new ATOM 0 HB2 TYR A 33 -9.089 -9.584 27.670 1.00 71.31 H new ATOM 0 HB3 TYR A 33 -8.558 -10.230 26.130 1.00 71.31 H new ATOM 0 HD1 TYR A 33 -8.997 -12.974 26.030 1.00 43.31 H new ATOM 0 HD2 TYR A 33 -11.272 -10.133 28.246 1.00 75.10 H new ATOM 0 HE1 TYR A 33 -10.923 -14.495 26.000 1.00 20.33 H new ATOM 0 HE2 TYR A 33 -13.198 -11.656 28.224 1.00 54.04 H new ATOM 0 HH TYR A 33 -14.004 -13.609 27.575 1.00 42.31 H new ATOM 548 N LEU A 34 -6.005 -10.573 26.053 1.00 71.24 N ATOM 549 CA LEU A 34 -5.027 -10.864 25.010 1.00 52.23 C ATOM 550 C LEU A 34 -3.893 -11.727 25.552 1.00 22.13 C ATOM 551 O LEU A 34 -3.646 -12.827 25.058 1.00 22.31 O ATOM 552 CB LEU A 34 -4.463 -9.563 24.435 1.00 75.21 C ATOM 553 CG LEU A 34 -5.300 -8.893 23.345 1.00 54.22 C ATOM 554 CD1 LEU A 34 -5.325 -9.749 22.088 1.00 20.23 C ATOM 555 CD2 LEU A 34 -6.715 -8.632 23.843 1.00 64.33 C ATOM 0 H LEU A 34 -6.212 -9.581 26.172 1.00 71.24 H new ATOM 0 HA LEU A 34 -5.532 -11.416 24.217 1.00 52.23 H new ATOM 0 HB2 LEU A 34 -4.333 -8.854 25.253 1.00 75.21 H new ATOM 0 HB3 LEU A 34 -3.472 -9.768 24.030 1.00 75.21 H new ATOM 0 HG LEU A 34 -4.840 -7.936 23.099 1.00 54.22 H new ATOM 0 HD11 LEU A 34 -5.926 -9.256 21.324 1.00 20.23 H new ATOM 0 HD12 LEU A 34 -4.308 -9.884 21.719 1.00 20.23 H new ATOM 0 HD13 LEU A 34 -5.759 -10.722 22.319 1.00 20.23 H new ATOM 0 HD21 LEU A 34 -7.296 -8.155 23.054 1.00 64.33 H new ATOM 0 HD22 LEU A 34 -7.184 -9.577 24.118 1.00 64.33 H new ATOM 0 HD23 LEU A 34 -6.679 -7.977 24.714 1.00 64.33 H new ATOM 567 N ARG A 35 -3.208 -11.222 26.573 1.00 45.33 N ATOM 568 CA ARG A 35 -2.100 -11.947 27.183 1.00 30.03 C ATOM 569 C ARG A 35 -2.578 -13.268 27.779 1.00 10.14 C ATOM 570 O ARG A 35 -1.879 -14.279 27.714 1.00 4.02 O ATOM 571 CB ARG A 35 -1.441 -11.094 28.269 1.00 63.32 C ATOM 572 CG ARG A 35 0.075 -11.050 28.171 1.00 5.04 C ATOM 573 CD ARG A 35 0.730 -11.804 29.319 1.00 53.05 C ATOM 574 NE ARG A 35 0.226 -11.368 30.618 1.00 12.01 N ATOM 575 CZ ARG A 35 0.524 -10.195 31.166 1.00 30.21 C ATOM 576 NH1 ARG A 35 1.319 -9.346 30.530 1.00 12.44 N ATOM 577 NH2 ARG A 35 0.026 -9.870 32.352 1.00 22.24 N ATOM 0 H ARG A 35 -3.401 -10.314 26.995 1.00 45.33 H new ATOM 0 HA ARG A 35 -1.367 -12.163 26.405 1.00 30.03 H new ATOM 0 HB2 ARG A 35 -1.830 -10.078 28.207 1.00 63.32 H new ATOM 0 HB3 ARG A 35 -1.722 -11.485 29.247 1.00 63.32 H new ATOM 0 HG2 ARG A 35 0.392 -11.483 27.222 1.00 5.04 H new ATOM 0 HG3 ARG A 35 0.411 -10.013 28.177 1.00 5.04 H new ATOM 0 HD2 ARG A 35 0.550 -12.872 29.200 1.00 53.05 H new ATOM 0 HD3 ARG A 35 1.809 -11.656 29.281 1.00 53.05 H new ATOM 0 HE ARG A 35 -0.389 -11.998 31.133 1.00 12.01 H new ATOM 0 HH11 ARG A 35 1.703 -9.593 29.618 1.00 12.44 H new ATOM 0 HH12 ARG A 35 1.546 -8.446 30.953 1.00 12.44 H new ATOM 0 HH21 ARG A 35 -0.586 -10.521 32.844 1.00 22.24 H new ATOM 0 HH22 ARG A 35 0.255 -8.969 32.772 1.00 22.24 H new ATOM 591 N ASP A 36 -3.773 -13.251 28.360 1.00 4.21 N ATOM 592 CA ASP A 36 -4.345 -14.447 28.967 1.00 3.25 C ATOM 593 C ASP A 36 -4.262 -15.634 28.013 1.00 43.21 C ATOM 594 O ASP A 36 -3.778 -16.705 28.379 1.00 13.41 O ATOM 595 CB ASP A 36 -5.800 -14.197 29.365 1.00 53.33 C ATOM 596 CG ASP A 36 -6.676 -15.416 29.154 1.00 62.23 C ATOM 597 OD1 ASP A 36 -6.666 -16.312 30.024 1.00 12.23 O ATOM 598 OD2 ASP A 36 -7.371 -15.475 28.118 1.00 13.34 O ATOM 0 H ASP A 36 -4.364 -12.422 28.423 1.00 4.21 H new ATOM 0 HA ASP A 36 -3.767 -14.682 29.861 1.00 3.25 H new ATOM 0 HB2 ASP A 36 -5.841 -13.901 30.413 1.00 53.33 H new ATOM 0 HB3 ASP A 36 -6.195 -13.364 28.783 1.00 53.33 H new ATOM 603 N MET A 37 -4.738 -15.436 26.788 1.00 45.11 N ATOM 604 CA MET A 37 -4.717 -16.490 25.781 1.00 62.43 C ATOM 605 C MET A 37 -3.408 -16.468 24.997 1.00 31.34 C ATOM 606 O MET A 37 -2.614 -17.407 25.068 1.00 71.14 O ATOM 607 CB MET A 37 -5.900 -16.334 24.824 1.00 72.42 C ATOM 608 CG MET A 37 -7.152 -17.066 25.281 1.00 41.11 C ATOM 609 SD MET A 37 -8.176 -17.617 23.903 1.00 14.03 S ATOM 610 CE MET A 37 -9.292 -18.741 24.740 1.00 54.22 C ATOM 0 H MET A 37 -5.143 -14.556 26.469 1.00 45.11 H new ATOM 0 HA MET A 37 -4.797 -17.449 26.293 1.00 62.43 H new ATOM 0 HB2 MET A 37 -6.129 -15.274 24.712 1.00 72.42 H new ATOM 0 HB3 MET A 37 -5.612 -16.703 23.840 1.00 72.42 H new ATOM 0 HG2 MET A 37 -6.865 -17.928 25.883 1.00 41.11 H new ATOM 0 HG3 MET A 37 -7.738 -16.409 25.924 1.00 41.11 H new ATOM 0 HE1 MET A 37 -9.990 -19.165 24.018 1.00 54.22 H new ATOM 0 HE2 MET A 37 -8.719 -19.543 25.206 1.00 54.22 H new ATOM 0 HE3 MET A 37 -9.847 -18.199 25.506 1.00 54.22 H new ATOM 620 N THR A 38 -3.189 -15.391 24.250 1.00 4.33 N ATOM 621 CA THR A 38 -1.977 -15.247 23.453 1.00 73.42 C ATOM 622 C THR A 38 -0.743 -15.652 24.250 1.00 22.13 C ATOM 623 O THR A 38 0.005 -16.543 23.846 1.00 25.23 O ATOM 624 CB THR A 38 -1.801 -13.801 22.954 1.00 2.32 C ATOM 625 OG1 THR A 38 -1.518 -12.933 24.058 1.00 63.33 O ATOM 626 CG2 THR A 38 -3.051 -13.321 22.233 1.00 52.40 C ATOM 0 H THR A 38 -3.835 -14.605 24.180 1.00 4.33 H new ATOM 0 HA THR A 38 -2.084 -15.909 22.594 1.00 73.42 H new ATOM 0 HB THR A 38 -0.967 -13.781 22.253 1.00 2.32 H new ATOM 0 HG1 THR A 38 -2.243 -12.992 24.714 1.00 63.33 H new ATOM 0 HG21 THR A 38 -2.903 -12.297 21.890 1.00 52.40 H new ATOM 0 HG22 THR A 38 -3.247 -13.966 21.376 1.00 52.40 H new ATOM 0 HG23 THR A 38 -3.900 -13.355 22.915 1.00 52.40 H new ATOM 634 N LEU A 39 -0.535 -14.993 25.385 1.00 72.21 N ATOM 635 CA LEU A 39 0.610 -15.285 26.241 1.00 75.21 C ATOM 636 C LEU A 39 0.260 -16.353 27.272 1.00 32.04 C ATOM 637 O LEU A 39 -0.908 -16.699 27.451 1.00 61.01 O ATOM 638 CB LEU A 39 1.081 -14.013 26.947 1.00 41.20 C ATOM 639 CG LEU A 39 1.968 -13.078 26.124 1.00 41.10 C ATOM 640 CD1 LEU A 39 3.200 -13.815 25.622 1.00 74.53 C ATOM 641 CD2 LEU A 39 1.186 -12.488 24.960 1.00 73.13 C ATOM 0 H LEU A 39 -1.144 -14.253 25.734 1.00 72.21 H new ATOM 0 HA LEU A 39 1.416 -15.664 25.612 1.00 75.21 H new ATOM 0 HB2 LEU A 39 0.203 -13.455 27.272 1.00 41.20 H new ATOM 0 HB3 LEU A 39 1.626 -14.301 27.846 1.00 41.20 H new ATOM 0 HG LEU A 39 2.296 -12.261 26.767 1.00 41.10 H new ATOM 0 HD11 LEU A 39 3.819 -13.134 25.038 1.00 74.53 H new ATOM 0 HD12 LEU A 39 3.772 -14.188 26.471 1.00 74.53 H new ATOM 0 HD13 LEU A 39 2.893 -14.653 24.996 1.00 74.53 H new ATOM 0 HD21 LEU A 39 1.833 -11.825 24.386 1.00 73.13 H new ATOM 0 HD22 LEU A 39 0.828 -13.292 24.317 1.00 73.13 H new ATOM 0 HD23 LEU A 39 0.336 -11.923 25.342 1.00 73.13 H new ATOM 653 N SER A 40 1.279 -16.870 27.950 1.00 5.04 N ATOM 654 CA SER A 40 1.080 -17.900 28.964 1.00 42.44 C ATOM 655 C SER A 40 1.244 -17.321 30.366 1.00 64.23 C ATOM 656 O SER A 40 1.188 -16.107 30.558 1.00 60.13 O ATOM 657 CB SER A 40 2.069 -19.049 28.755 1.00 55.44 C ATOM 658 OG SER A 40 2.572 -19.054 27.430 1.00 54.02 O ATOM 0 H SER A 40 2.251 -16.593 27.816 1.00 5.04 H new ATOM 0 HA SER A 40 0.064 -18.282 28.864 1.00 42.44 H new ATOM 0 HB2 SER A 40 2.895 -18.955 29.460 1.00 55.44 H new ATOM 0 HB3 SER A 40 1.577 -19.999 28.964 1.00 55.44 H new ATOM 0 HG SER A 40 3.310 -18.413 27.358 1.00 54.02 H new ATOM 664 N GLU A 41 1.448 -18.200 31.342 1.00 72.52 N ATOM 665 CA GLU A 41 1.619 -17.777 32.727 1.00 64.33 C ATOM 666 C GLU A 41 3.077 -17.428 33.012 1.00 23.43 C ATOM 667 O GLU A 41 3.974 -17.792 32.253 1.00 23.42 O ATOM 668 CB GLU A 41 1.150 -18.877 33.681 1.00 24.42 C ATOM 669 CG GLU A 41 -0.315 -18.764 34.068 1.00 5.21 C ATOM 670 CD GLU A 41 -0.712 -19.754 35.145 1.00 30.32 C ATOM 671 OE1 GLU A 41 -0.328 -20.937 35.033 1.00 31.51 O ATOM 672 OE2 GLU A 41 -1.407 -19.347 36.100 1.00 44.05 O ATOM 0 H GLU A 41 1.499 -19.209 31.199 1.00 72.52 H new ATOM 0 HA GLU A 41 1.012 -16.886 32.886 1.00 64.33 H new ATOM 0 HB2 GLU A 41 1.320 -19.847 33.215 1.00 24.42 H new ATOM 0 HB3 GLU A 41 1.759 -18.847 34.584 1.00 24.42 H new ATOM 0 HG2 GLU A 41 -0.517 -17.752 34.418 1.00 5.21 H new ATOM 0 HG3 GLU A 41 -0.934 -18.926 33.185 1.00 5.21 H new ATOM 679 N GLY A 42 3.305 -16.719 34.114 1.00 62.04 N ATOM 680 CA GLY A 42 4.655 -16.332 34.480 1.00 12.44 C ATOM 681 C GLY A 42 4.840 -14.827 34.502 1.00 25.43 C ATOM 682 O GLY A 42 5.925 -14.326 34.208 1.00 51.25 O ATOM 0 H GLY A 42 2.579 -16.406 34.759 1.00 62.04 H new ATOM 0 HA2 GLY A 42 4.893 -16.739 35.463 1.00 12.44 H new ATOM 0 HA3 GLY A 42 5.360 -16.772 33.774 1.00 12.44 H new ATOM 686 N GLN A 43 3.780 -14.107 34.851 1.00 55.32 N ATOM 687 CA GLN A 43 3.831 -12.651 34.907 1.00 12.41 C ATOM 688 C GLN A 43 3.116 -12.128 36.149 1.00 31.40 C ATOM 689 O GLN A 43 2.346 -12.838 36.796 1.00 32.14 O ATOM 690 CB GLN A 43 3.201 -12.048 33.650 1.00 32.02 C ATOM 691 CG GLN A 43 2.161 -12.947 33.000 1.00 1.42 C ATOM 692 CD GLN A 43 1.069 -13.367 33.964 1.00 53.14 C ATOM 693 OE1 GLN A 43 0.877 -14.555 34.222 1.00 34.42 O ATOM 694 NE2 GLN A 43 0.346 -12.392 34.501 1.00 13.53 N ATOM 0 H GLN A 43 2.875 -14.508 35.099 1.00 55.32 H new ATOM 0 HA GLN A 43 4.878 -12.352 34.959 1.00 12.41 H new ATOM 0 HB2 GLN A 43 2.737 -11.096 33.907 1.00 32.02 H new ATOM 0 HB3 GLN A 43 3.987 -11.834 32.926 1.00 32.02 H new ATOM 0 HG2 GLN A 43 1.713 -12.425 32.154 1.00 1.42 H new ATOM 0 HG3 GLN A 43 2.652 -13.836 32.603 1.00 1.42 H new ATOM 0 HE21 GLN A 43 0.540 -11.420 34.259 1.00 13.53 H new ATOM 0 HE22 GLN A 43 -0.404 -12.614 35.156 1.00 13.53 H new ATOM 703 N PRO A 44 3.375 -10.858 36.491 1.00 4.34 N ATOM 704 CA PRO A 44 2.766 -10.212 37.658 1.00 24.10 C ATOM 705 C PRO A 44 1.275 -9.959 37.468 1.00 73.31 C ATOM 706 O PRO A 44 0.729 -10.114 36.375 1.00 34.03 O ATOM 707 CB PRO A 44 3.524 -8.886 37.766 1.00 70.45 C ATOM 708 CG PRO A 44 4.003 -8.611 36.382 1.00 1.42 C ATOM 709 CD PRO A 44 4.283 -9.953 35.766 1.00 72.35 C ATOM 0 HA PRO A 44 2.837 -10.833 38.551 1.00 24.10 H new ATOM 0 HB2 PRO A 44 2.876 -8.087 38.127 1.00 70.45 H new ATOM 0 HB3 PRO A 44 4.356 -8.961 38.466 1.00 70.45 H new ATOM 0 HG2 PRO A 44 3.251 -8.068 35.809 1.00 1.42 H new ATOM 0 HG3 PRO A 44 4.901 -7.993 36.395 1.00 1.42 H new ATOM 0 HD2 PRO A 44 4.080 -9.954 34.695 1.00 72.35 H new ATOM 0 HD3 PRO A 44 5.326 -10.244 35.893 1.00 72.35 H new ATOM 717 N PRO A 45 0.598 -9.560 38.555 1.00 31.41 N ATOM 718 CA PRO A 45 -0.840 -9.277 38.532 1.00 11.35 C ATOM 719 C PRO A 45 -1.169 -8.014 37.744 1.00 55.12 C ATOM 720 O PRO A 45 -0.325 -7.484 37.020 1.00 14.31 O ATOM 721 CB PRO A 45 -1.188 -9.090 40.011 1.00 10.53 C ATOM 722 CG PRO A 45 0.088 -8.661 40.649 1.00 1.33 C ATOM 723 CD PRO A 45 1.185 -9.355 39.890 1.00 35.20 C ATOM 0 HA PRO A 45 -1.404 -10.072 38.044 1.00 11.35 H new ATOM 0 HB2 PRO A 45 -1.968 -8.340 40.142 1.00 10.53 H new ATOM 0 HB3 PRO A 45 -1.559 -10.016 40.451 1.00 10.53 H new ATOM 0 HG2 PRO A 45 0.204 -7.578 40.600 1.00 1.33 H new ATOM 0 HG3 PRO A 45 0.109 -8.936 41.703 1.00 1.33 H new ATOM 0 HD2 PRO A 45 2.088 -8.747 39.843 1.00 35.20 H new ATOM 0 HD3 PRO A 45 1.461 -10.300 40.357 1.00 35.20 H new ATOM 731 N LEU A 46 -2.401 -7.536 37.888 1.00 24.21 N ATOM 732 CA LEU A 46 -2.842 -6.334 37.189 1.00 24.02 C ATOM 733 C LEU A 46 -2.805 -5.122 38.114 1.00 1.13 C ATOM 734 O LEU A 46 -3.364 -5.148 39.210 1.00 1.12 O ATOM 735 CB LEU A 46 -4.256 -6.529 36.641 1.00 34.02 C ATOM 736 CG LEU A 46 -4.994 -7.781 37.117 1.00 20.03 C ATOM 737 CD1 LEU A 46 -5.468 -7.608 38.552 1.00 61.21 C ATOM 738 CD2 LEU A 46 -6.168 -8.090 36.199 1.00 2.14 C ATOM 0 H LEU A 46 -3.112 -7.963 38.482 1.00 24.21 H new ATOM 0 HA LEU A 46 -2.159 -6.155 36.359 1.00 24.02 H new ATOM 0 HB2 LEU A 46 -4.852 -5.656 36.909 1.00 34.02 H new ATOM 0 HB3 LEU A 46 -4.202 -6.555 35.553 1.00 34.02 H new ATOM 0 HG LEU A 46 -4.302 -8.622 37.084 1.00 20.03 H new ATOM 0 HD11 LEU A 46 -5.991 -8.509 38.874 1.00 61.21 H new ATOM 0 HD12 LEU A 46 -4.609 -7.436 39.201 1.00 61.21 H new ATOM 0 HD13 LEU A 46 -6.144 -6.755 38.612 1.00 61.21 H new ATOM 0 HD21 LEU A 46 -6.681 -8.984 36.553 1.00 2.14 H new ATOM 0 HD22 LEU A 46 -6.862 -7.249 36.200 1.00 2.14 H new ATOM 0 HD23 LEU A 46 -5.803 -8.259 35.186 1.00 2.14 H new ATOM 750 N ALA A 47 -2.144 -4.060 37.664 1.00 75.11 N ATOM 751 CA ALA A 47 -2.039 -2.837 38.449 1.00 3.32 C ATOM 752 C ALA A 47 -2.116 -1.603 37.556 1.00 2.14 C ATOM 753 O ALA A 47 -1.552 -1.581 36.462 1.00 0.43 O ATOM 754 CB ALA A 47 -0.744 -2.833 39.248 1.00 44.51 C ATOM 0 H ALA A 47 -1.673 -4.023 36.760 1.00 75.11 H new ATOM 0 HA ALA A 47 -2.880 -2.805 39.141 1.00 3.32 H new ATOM 0 HB1 ALA A 47 -0.678 -1.914 39.830 1.00 44.51 H new ATOM 0 HB2 ALA A 47 -0.729 -3.690 39.921 1.00 44.51 H new ATOM 0 HB3 ALA A 47 0.104 -2.892 38.566 1.00 44.51 H new ATOM 760 N ARG A 48 -2.818 -0.578 38.030 1.00 24.40 N ATOM 761 CA ARG A 48 -2.970 0.658 37.273 1.00 2.32 C ATOM 762 C ARG A 48 -1.665 1.449 37.255 1.00 64.42 C ATOM 763 O ARG A 48 -1.401 2.210 36.325 1.00 20.11 O ATOM 764 CB ARG A 48 -4.088 1.514 37.872 1.00 22.52 C ATOM 765 CG ARG A 48 -3.773 2.040 39.263 1.00 52.32 C ATOM 766 CD ARG A 48 -3.234 3.461 39.211 1.00 13.44 C ATOM 767 NE ARG A 48 -3.573 4.219 40.413 1.00 11.01 N ATOM 768 CZ ARG A 48 -4.805 4.620 40.706 1.00 31.11 C ATOM 769 NH1 ARG A 48 -5.810 4.337 39.889 1.00 70.51 N ATOM 770 NH2 ARG A 48 -5.034 5.306 41.819 1.00 70.51 N ATOM 0 H ARG A 48 -3.290 -0.580 38.934 1.00 24.40 H new ATOM 0 HA ARG A 48 -3.231 0.396 36.248 1.00 2.32 H new ATOM 0 HB2 ARG A 48 -4.283 2.357 37.209 1.00 22.52 H new ATOM 0 HB3 ARG A 48 -5.003 0.923 37.915 1.00 22.52 H new ATOM 0 HG2 ARG A 48 -4.674 2.013 39.876 1.00 52.32 H new ATOM 0 HG3 ARG A 48 -3.042 1.389 39.743 1.00 52.32 H new ATOM 0 HD2 ARG A 48 -2.151 3.434 39.093 1.00 13.44 H new ATOM 0 HD3 ARG A 48 -3.637 3.970 38.336 1.00 13.44 H new ATOM 0 HE ARG A 48 -2.823 4.453 41.063 1.00 11.01 H new ATOM 0 HH11 ARG A 48 -5.638 3.810 39.033 1.00 70.51 H new ATOM 0 HH12 ARG A 48 -6.755 4.646 40.117 1.00 70.51 H new ATOM 0 HH21 ARG A 48 -4.264 5.526 42.450 1.00 70.51 H new ATOM 0 HH22 ARG A 48 -5.980 5.613 42.043 1.00 70.51 H new ATOM 784 N GLY A 49 -0.851 1.262 38.290 1.00 41.02 N ATOM 785 CA GLY A 49 0.416 1.964 38.373 1.00 2.53 C ATOM 786 C GLY A 49 1.496 1.315 37.531 1.00 71.31 C ATOM 787 O GLY A 49 2.618 1.813 37.458 1.00 44.55 O ATOM 0 H GLY A 49 -1.047 0.637 39.072 1.00 41.02 H new ATOM 0 HA2 GLY A 49 0.278 2.995 38.049 1.00 2.53 H new ATOM 0 HA3 GLY A 49 0.742 1.998 39.413 1.00 2.53 H new ATOM 791 N GLU A 50 1.156 0.198 36.895 1.00 24.31 N ATOM 792 CA GLU A 50 2.107 -0.522 36.056 1.00 63.10 C ATOM 793 C GLU A 50 2.423 0.269 34.789 1.00 35.35 C ATOM 794 O GLU A 50 3.446 0.044 34.142 1.00 20.10 O ATOM 795 CB GLU A 50 1.554 -1.900 35.686 1.00 52.33 C ATOM 796 CG GLU A 50 1.780 -2.954 36.756 1.00 71.20 C ATOM 797 CD GLU A 50 1.215 -4.308 36.370 1.00 43.41 C ATOM 798 OE1 GLU A 50 0.650 -4.420 35.262 1.00 44.23 O ATOM 799 OE2 GLU A 50 1.338 -5.254 37.175 1.00 10.13 O ATOM 0 H GLU A 50 0.230 -0.227 36.945 1.00 24.31 H new ATOM 0 HA GLU A 50 3.029 -0.649 36.623 1.00 63.10 H new ATOM 0 HB2 GLU A 50 0.485 -1.813 35.494 1.00 52.33 H new ATOM 0 HB3 GLU A 50 2.019 -2.231 34.758 1.00 52.33 H new ATOM 0 HG2 GLU A 50 2.849 -3.051 36.945 1.00 71.20 H new ATOM 0 HG3 GLU A 50 1.320 -2.625 37.688 1.00 71.20 H new ATOM 806 N LEU A 51 1.536 1.195 34.442 1.00 61.14 N ATOM 807 CA LEU A 51 1.718 2.020 33.252 1.00 22.13 C ATOM 808 C LEU A 51 1.872 3.490 33.628 1.00 55.33 C ATOM 809 O LEU A 51 2.731 4.190 33.094 1.00 42.23 O ATOM 810 CB LEU A 51 0.534 1.846 32.300 1.00 34.44 C ATOM 811 CG LEU A 51 0.799 2.176 30.831 1.00 13.52 C ATOM 812 CD1 LEU A 51 1.517 1.025 30.146 1.00 62.41 C ATOM 813 CD2 LEU A 51 -0.504 2.498 30.113 1.00 31.54 C ATOM 0 H LEU A 51 0.684 1.394 34.967 1.00 61.14 H new ATOM 0 HA LEU A 51 2.629 1.695 32.750 1.00 22.13 H new ATOM 0 HB2 LEU A 51 0.192 0.813 32.363 1.00 34.44 H new ATOM 0 HB3 LEU A 51 -0.284 2.475 32.651 1.00 34.44 H new ATOM 0 HG LEU A 51 1.442 3.055 30.787 1.00 13.52 H new ATOM 0 HD11 LEU A 51 1.697 1.279 29.101 1.00 62.41 H new ATOM 0 HD12 LEU A 51 2.469 0.842 30.644 1.00 62.41 H new ATOM 0 HD13 LEU A 51 0.901 0.128 30.201 1.00 62.41 H new ATOM 0 HD21 LEU A 51 -0.296 2.730 29.069 1.00 31.54 H new ATOM 0 HD22 LEU A 51 -1.172 1.638 30.167 1.00 31.54 H new ATOM 0 HD23 LEU A 51 -0.979 3.356 30.588 1.00 31.54 H new ATOM 825 N GLU A 52 1.033 3.951 34.551 1.00 22.41 N ATOM 826 CA GLU A 52 1.077 5.338 34.999 1.00 64.35 C ATOM 827 C GLU A 52 2.295 5.585 35.884 1.00 44.21 C ATOM 828 O GLU A 52 3.099 6.478 35.618 1.00 54.31 O ATOM 829 CB GLU A 52 -0.201 5.692 35.761 1.00 52.03 C ATOM 830 CG GLU A 52 -0.289 7.157 36.154 1.00 52.00 C ATOM 831 CD GLU A 52 -0.562 8.064 34.969 1.00 24.35 C ATOM 832 OE1 GLU A 52 -0.479 7.579 33.821 1.00 12.42 O ATOM 833 OE2 GLU A 52 -0.857 9.257 35.190 1.00 23.32 O ATOM 0 H GLU A 52 0.315 3.384 35.003 1.00 22.41 H new ATOM 0 HA GLU A 52 1.154 5.975 34.118 1.00 64.35 H new ATOM 0 HB2 GLU A 52 -1.064 5.437 35.145 1.00 52.03 H new ATOM 0 HB3 GLU A 52 -0.259 5.079 36.660 1.00 52.03 H new ATOM 0 HG2 GLU A 52 -1.080 7.284 36.894 1.00 52.00 H new ATOM 0 HG3 GLU A 52 0.644 7.458 36.630 1.00 52.00 H new ATOM 840 N GLY A 53 2.425 4.787 36.939 1.00 32.23 N ATOM 841 CA GLY A 53 3.546 4.935 37.849 1.00 41.14 C ATOM 842 C GLY A 53 4.852 4.465 37.240 1.00 63.11 C ATOM 843 O GLY A 53 5.812 5.231 37.141 1.00 14.45 O ATOM 0 H GLY A 53 1.774 4.040 37.180 1.00 32.23 H new ATOM 0 HA2 GLY A 53 3.639 5.982 38.139 1.00 41.14 H new ATOM 0 HA3 GLY A 53 3.348 4.369 38.759 1.00 41.14 H new ATOM 847 N LEU A 54 4.892 3.201 36.832 1.00 52.55 N ATOM 848 CA LEU A 54 6.091 2.629 36.230 1.00 23.13 C ATOM 849 C LEU A 54 6.364 3.248 34.863 1.00 33.31 C ATOM 850 O LEU A 54 5.724 4.226 34.475 1.00 21.21 O ATOM 851 CB LEU A 54 5.944 1.112 36.096 1.00 1.22 C ATOM 852 CG LEU A 54 5.578 0.358 37.375 1.00 60.43 C ATOM 853 CD1 LEU A 54 5.582 -1.143 37.129 1.00 62.14 C ATOM 854 CD2 LEU A 54 6.537 0.718 38.500 1.00 41.11 C ATOM 0 H LEU A 54 4.108 2.553 36.907 1.00 52.55 H new ATOM 0 HA LEU A 54 6.936 2.850 36.883 1.00 23.13 H new ATOM 0 HB2 LEU A 54 5.181 0.906 35.345 1.00 1.22 H new ATOM 0 HB3 LEU A 54 6.882 0.708 35.716 1.00 1.22 H new ATOM 0 HG LEU A 54 4.572 0.654 37.673 1.00 60.43 H new ATOM 0 HD11 LEU A 54 5.319 -1.663 38.050 1.00 62.14 H new ATOM 0 HD12 LEU A 54 4.855 -1.387 36.355 1.00 62.14 H new ATOM 0 HD13 LEU A 54 6.575 -1.456 36.806 1.00 62.14 H new ATOM 0 HD21 LEU A 54 6.261 0.172 39.402 1.00 41.11 H new ATOM 0 HD22 LEU A 54 7.554 0.451 38.211 1.00 41.11 H new ATOM 0 HD23 LEU A 54 6.484 1.789 38.694 1.00 41.11 H new ATOM 866 N ILE A 55 7.315 2.670 34.137 1.00 51.21 N ATOM 867 CA ILE A 55 7.669 3.163 32.812 1.00 50.22 C ATOM 868 C ILE A 55 7.500 2.075 31.757 1.00 20.11 C ATOM 869 O ILE A 55 7.480 0.881 32.059 1.00 51.45 O ATOM 870 CB ILE A 55 9.119 3.680 32.772 1.00 23.13 C ATOM 871 CG1 ILE A 55 10.075 2.627 33.337 1.00 35.44 C ATOM 872 CG2 ILE A 55 9.239 4.982 33.549 1.00 11.42 C ATOM 873 CD1 ILE A 55 11.487 3.132 33.528 1.00 3.42 C ATOM 0 H ILE A 55 7.854 1.860 34.444 1.00 51.21 H new ATOM 0 HA ILE A 55 6.992 3.988 32.592 1.00 50.22 H new ATOM 0 HB ILE A 55 9.392 3.872 31.734 1.00 23.13 H new ATOM 0 HG12 ILE A 55 9.691 2.276 34.295 1.00 35.44 H new ATOM 0 HG13 ILE A 55 10.093 1.768 32.667 1.00 35.44 H new ATOM 0 HG21 ILE A 55 10.270 5.335 33.511 1.00 11.42 H new ATOM 0 HG22 ILE A 55 8.583 5.731 33.107 1.00 11.42 H new ATOM 0 HG23 ILE A 55 8.951 4.814 34.587 1.00 11.42 H new ATOM 0 HD11 ILE A 55 12.108 2.332 33.931 1.00 3.42 H new ATOM 0 HD12 ILE A 55 11.890 3.456 32.569 1.00 3.42 H new ATOM 0 HD13 ILE A 55 11.482 3.972 34.222 1.00 3.42 H new ATOM 885 N PRO A 56 7.377 2.494 30.489 1.00 62.02 N ATOM 886 CA PRO A 56 7.210 1.571 29.363 1.00 63.44 C ATOM 887 C PRO A 56 8.476 0.768 29.078 1.00 14.53 C ATOM 888 O PRO A 56 8.413 -0.426 28.788 1.00 23.45 O ATOM 889 CB PRO A 56 6.890 2.498 28.188 1.00 51.11 C ATOM 890 CG PRO A 56 7.500 3.805 28.560 1.00 42.21 C ATOM 891 CD PRO A 56 7.392 3.902 30.057 1.00 64.44 C ATOM 0 HA PRO A 56 6.439 0.826 29.559 1.00 63.44 H new ATOM 0 HB2 PRO A 56 7.309 2.116 27.257 1.00 51.11 H new ATOM 0 HB3 PRO A 56 5.814 2.591 28.039 1.00 51.11 H new ATOM 0 HG2 PRO A 56 8.541 3.855 28.240 1.00 42.21 H new ATOM 0 HG3 PRO A 56 6.978 4.631 28.077 1.00 42.21 H new ATOM 0 HD2 PRO A 56 8.234 4.445 30.486 1.00 64.44 H new ATOM 0 HD3 PRO A 56 6.486 4.426 30.362 1.00 64.44 H new ATOM 899 N VAL A 57 9.624 1.433 29.163 1.00 32.04 N ATOM 900 CA VAL A 57 10.904 0.781 28.917 1.00 44.22 C ATOM 901 C VAL A 57 11.168 -0.318 29.940 1.00 75.24 C ATOM 902 O VAL A 57 11.983 -1.212 29.710 1.00 54.11 O ATOM 903 CB VAL A 57 12.066 1.792 28.956 1.00 14.41 C ATOM 904 CG1 VAL A 57 13.397 1.085 28.752 1.00 12.31 C ATOM 905 CG2 VAL A 57 11.863 2.877 27.909 1.00 53.00 C ATOM 0 H VAL A 57 9.693 2.423 29.400 1.00 32.04 H new ATOM 0 HA VAL A 57 10.848 0.341 27.921 1.00 44.22 H new ATOM 0 HB VAL A 57 12.080 2.265 29.938 1.00 14.41 H new ATOM 0 HG11 VAL A 57 14.205 1.815 28.783 1.00 12.31 H new ATOM 0 HG12 VAL A 57 13.543 0.349 29.542 1.00 12.31 H new ATOM 0 HG13 VAL A 57 13.398 0.583 27.784 1.00 12.31 H new ATOM 0 HG21 VAL A 57 12.693 3.582 27.951 1.00 53.00 H new ATOM 0 HG22 VAL A 57 11.821 2.424 26.919 1.00 53.00 H new ATOM 0 HG23 VAL A 57 10.929 3.403 28.107 1.00 53.00 H new ATOM 915 N ASP A 58 10.472 -0.246 31.069 1.00 31.50 N ATOM 916 CA ASP A 58 10.629 -1.237 32.128 1.00 53.12 C ATOM 917 C ASP A 58 9.603 -2.357 31.981 1.00 42.43 C ATOM 918 O ASP A 58 9.962 -3.527 31.839 1.00 15.44 O ATOM 919 CB ASP A 58 10.487 -0.575 33.499 1.00 33.35 C ATOM 920 CG ASP A 58 10.841 -1.515 34.635 1.00 22.11 C ATOM 921 OD1 ASP A 58 11.693 -2.403 34.425 1.00 22.44 O ATOM 922 OD2 ASP A 58 10.266 -1.363 35.733 1.00 11.23 O ATOM 0 H ASP A 58 9.794 0.488 31.275 1.00 31.50 H new ATOM 0 HA ASP A 58 11.626 -1.669 32.043 1.00 53.12 H new ATOM 0 HB2 ASP A 58 11.131 0.303 33.544 1.00 33.35 H new ATOM 0 HB3 ASP A 58 9.462 -0.226 33.626 1.00 33.35 H new ATOM 927 N LEU A 59 8.327 -1.991 32.016 1.00 54.10 N ATOM 928 CA LEU A 59 7.248 -2.965 31.888 1.00 50.34 C ATOM 929 C LEU A 59 7.368 -3.741 30.580 1.00 21.11 C ATOM 930 O LEU A 59 7.038 -4.925 30.517 1.00 13.12 O ATOM 931 CB LEU A 59 5.890 -2.263 31.954 1.00 23.14 C ATOM 932 CG LEU A 59 5.011 -2.383 30.709 1.00 10.42 C ATOM 933 CD1 LEU A 59 3.555 -2.113 31.056 1.00 40.10 C ATOM 934 CD2 LEU A 59 5.489 -1.427 29.625 1.00 33.23 C ATOM 0 H LEU A 59 8.014 -1.027 32.132 1.00 54.10 H new ATOM 0 HA LEU A 59 7.327 -3.669 32.716 1.00 50.34 H new ATOM 0 HB2 LEU A 59 5.338 -2.663 32.804 1.00 23.14 H new ATOM 0 HB3 LEU A 59 6.060 -1.205 32.154 1.00 23.14 H new ATOM 0 HG LEU A 59 5.090 -3.401 30.328 1.00 10.42 H new ATOM 0 HD11 LEU A 59 2.944 -2.203 30.158 1.00 40.10 H new ATOM 0 HD12 LEU A 59 3.218 -2.837 31.798 1.00 40.10 H new ATOM 0 HD13 LEU A 59 3.458 -1.106 31.461 1.00 40.10 H new ATOM 0 HD21 LEU A 59 4.852 -1.526 28.746 1.00 33.23 H new ATOM 0 HD22 LEU A 59 5.440 -0.403 29.995 1.00 33.23 H new ATOM 0 HD23 LEU A 59 6.518 -1.667 29.356 1.00 33.23 H new ATOM 946 N ALA A 60 7.845 -3.067 29.539 1.00 10.41 N ATOM 947 CA ALA A 60 8.013 -3.694 28.234 1.00 30.23 C ATOM 948 C ALA A 60 9.043 -4.817 28.294 1.00 44.24 C ATOM 949 O ALA A 60 8.827 -5.899 27.749 1.00 11.04 O ATOM 950 CB ALA A 60 8.419 -2.657 27.198 1.00 51.21 C ATOM 0 H ALA A 60 8.122 -2.086 29.574 1.00 10.41 H new ATOM 0 HA ALA A 60 7.057 -4.128 27.941 1.00 30.23 H new ATOM 0 HB1 ALA A 60 8.541 -3.140 26.228 1.00 51.21 H new ATOM 0 HB2 ALA A 60 7.647 -1.891 27.128 1.00 51.21 H new ATOM 0 HB3 ALA A 60 9.361 -2.196 27.495 1.00 51.21 H new ATOM 956 N GLU A 61 10.164 -4.551 28.957 1.00 2.31 N ATOM 957 CA GLU A 61 11.228 -5.539 29.085 1.00 23.42 C ATOM 958 C GLU A 61 10.699 -6.832 29.701 1.00 41.35 C ATOM 959 O GLU A 61 11.149 -7.926 29.357 1.00 11.13 O ATOM 960 CB GLU A 61 12.370 -4.985 29.940 1.00 51.21 C ATOM 961 CG GLU A 61 13.586 -4.564 29.132 1.00 22.31 C ATOM 962 CD GLU A 61 14.643 -3.885 29.980 1.00 5.25 C ATOM 963 OE1 GLU A 61 14.278 -3.262 30.999 1.00 53.11 O ATOM 964 OE2 GLU A 61 15.837 -3.977 29.625 1.00 3.43 O ATOM 0 H GLU A 61 10.359 -3.660 29.414 1.00 2.31 H new ATOM 0 HA GLU A 61 11.605 -5.759 28.086 1.00 23.42 H new ATOM 0 HB2 GLU A 61 12.006 -4.128 30.506 1.00 51.21 H new ATOM 0 HB3 GLU A 61 12.670 -5.742 30.665 1.00 51.21 H new ATOM 0 HG2 GLU A 61 14.019 -5.441 28.651 1.00 22.31 H new ATOM 0 HG3 GLU A 61 13.273 -3.887 28.337 1.00 22.31 H new ATOM 971 N LEU A 62 9.742 -6.697 30.612 1.00 71.33 N ATOM 972 CA LEU A 62 9.151 -7.853 31.276 1.00 35.45 C ATOM 973 C LEU A 62 8.228 -8.613 30.329 1.00 33.30 C ATOM 974 O LEU A 62 8.261 -9.843 30.266 1.00 31.02 O ATOM 975 CB LEU A 62 8.374 -7.411 32.518 1.00 54.35 C ATOM 976 CG LEU A 62 7.594 -8.505 33.247 1.00 24.45 C ATOM 977 CD1 LEU A 62 7.707 -8.327 34.754 1.00 40.15 C ATOM 978 CD2 LEU A 62 6.135 -8.500 32.816 1.00 43.25 C ATOM 0 H LEU A 62 9.359 -5.799 30.908 1.00 71.33 H new ATOM 0 HA LEU A 62 9.959 -8.519 31.578 1.00 35.45 H new ATOM 0 HB2 LEU A 62 9.077 -6.964 33.221 1.00 54.35 H new ATOM 0 HB3 LEU A 62 7.675 -6.628 32.225 1.00 54.35 H new ATOM 0 HG LEU A 62 8.026 -9.470 32.981 1.00 24.45 H new ATOM 0 HD11 LEU A 62 7.146 -9.115 35.257 1.00 40.15 H new ATOM 0 HD12 LEU A 62 8.755 -8.383 35.049 1.00 40.15 H new ATOM 0 HD13 LEU A 62 7.302 -7.356 35.037 1.00 40.15 H new ATOM 0 HD21 LEU A 62 5.596 -9.286 33.346 1.00 43.25 H new ATOM 0 HD22 LEU A 62 5.690 -7.533 33.050 1.00 43.25 H new ATOM 0 HD23 LEU A 62 6.072 -8.678 31.742 1.00 43.25 H new ATOM 990 N LEU A 63 7.406 -7.874 29.592 1.00 45.21 N ATOM 991 CA LEU A 63 6.475 -8.477 28.645 1.00 64.41 C ATOM 992 C LEU A 63 7.222 -9.268 27.576 1.00 64.23 C ATOM 993 O LEU A 63 6.917 -10.435 27.326 1.00 4.12 O ATOM 994 CB LEU A 63 5.614 -7.398 27.988 1.00 13.30 C ATOM 995 CG LEU A 63 4.104 -7.637 28.013 1.00 14.53 C ATOM 996 CD1 LEU A 63 3.767 -8.991 27.409 1.00 41.35 C ATOM 997 CD2 LEU A 63 3.572 -7.539 29.436 1.00 51.32 C ATOM 0 H LEU A 63 7.365 -6.856 29.632 1.00 45.21 H new ATOM 0 HA LEU A 63 5.830 -9.163 29.194 1.00 64.41 H new ATOM 0 HB2 LEU A 63 5.819 -6.448 28.481 1.00 13.30 H new ATOM 0 HB3 LEU A 63 5.928 -7.293 26.949 1.00 13.30 H new ATOM 0 HG LEU A 63 3.624 -6.865 27.412 1.00 14.53 H new ATOM 0 HD11 LEU A 63 2.688 -9.143 27.436 1.00 41.35 H new ATOM 0 HD12 LEU A 63 4.113 -9.025 26.376 1.00 41.35 H new ATOM 0 HD13 LEU A 63 4.258 -9.777 27.982 1.00 41.35 H new ATOM 0 HD21 LEU A 63 2.496 -7.712 29.435 1.00 51.32 H new ATOM 0 HD22 LEU A 63 4.059 -8.289 30.059 1.00 51.32 H new ATOM 0 HD23 LEU A 63 3.780 -6.546 29.834 1.00 51.32 H new ATOM 1009 N ILE A 64 8.203 -8.626 26.949 1.00 34.32 N ATOM 1010 CA ILE A 64 8.995 -9.271 25.910 1.00 62.05 C ATOM 1011 C ILE A 64 9.652 -10.545 26.430 1.00 73.34 C ATOM 1012 O ILE A 64 9.863 -11.498 25.679 1.00 34.01 O ATOM 1013 CB ILE A 64 10.086 -8.329 25.368 1.00 45.11 C ATOM 1014 CG1 ILE A 64 11.060 -7.945 26.484 1.00 32.34 C ATOM 1015 CG2 ILE A 64 9.457 -7.086 24.756 1.00 24.20 C ATOM 1016 CD1 ILE A 64 12.238 -7.128 26.004 1.00 3.51 C ATOM 0 H ILE A 64 8.468 -7.660 27.143 1.00 34.32 H new ATOM 0 HA ILE A 64 8.309 -9.523 25.101 1.00 62.05 H new ATOM 0 HB ILE A 64 10.642 -8.852 24.590 1.00 45.11 H new ATOM 0 HG12 ILE A 64 10.523 -7.380 27.245 1.00 32.34 H new ATOM 0 HG13 ILE A 64 11.429 -8.853 26.962 1.00 32.34 H new ATOM 0 HG21 ILE A 64 10.241 -6.430 24.377 1.00 24.20 H new ATOM 0 HG22 ILE A 64 8.800 -7.377 23.936 1.00 24.20 H new ATOM 0 HG23 ILE A 64 8.879 -6.559 25.515 1.00 24.20 H new ATOM 0 HD11 ILE A 64 12.886 -6.892 26.848 1.00 3.51 H new ATOM 0 HD12 ILE A 64 12.799 -7.699 25.264 1.00 3.51 H new ATOM 0 HD13 ILE A 64 11.879 -6.203 25.553 1.00 3.51 H new ATOM 1028 N SER A 65 9.971 -10.556 27.720 1.00 42.12 N ATOM 1029 CA SER A 65 10.606 -11.713 28.341 1.00 53.43 C ATOM 1030 C SER A 65 9.588 -12.821 28.593 1.00 14.50 C ATOM 1031 O SER A 65 9.944 -13.994 28.705 1.00 15.21 O ATOM 1032 CB SER A 65 11.274 -11.309 29.657 1.00 71.25 C ATOM 1033 OG SER A 65 12.661 -11.598 29.634 1.00 41.14 O ATOM 0 H SER A 65 9.800 -9.777 28.356 1.00 42.12 H new ATOM 0 HA SER A 65 11.366 -12.091 27.657 1.00 53.43 H new ATOM 0 HB2 SER A 65 11.124 -10.244 29.833 1.00 71.25 H new ATOM 0 HB3 SER A 65 10.803 -11.838 30.485 1.00 71.25 H new ATOM 0 HG SER A 65 13.065 -11.329 30.485 1.00 41.14 H new ATOM 1039 N LYS A 66 8.318 -12.439 28.681 1.00 32.35 N ATOM 1040 CA LYS A 66 7.245 -13.398 28.919 1.00 24.22 C ATOM 1041 C LYS A 66 7.357 -14.586 27.969 1.00 52.14 C ATOM 1042 O LYS A 66 7.569 -15.720 28.399 1.00 54.12 O ATOM 1043 CB LYS A 66 5.883 -12.723 28.751 1.00 54.43 C ATOM 1044 CG LYS A 66 4.711 -13.686 28.837 1.00 4.34 C ATOM 1045 CD LYS A 66 4.623 -14.334 30.209 1.00 70.34 C ATOM 1046 CE LYS A 66 3.966 -15.704 30.136 1.00 33.01 C ATOM 1047 NZ LYS A 66 4.955 -16.779 29.849 1.00 71.45 N ATOM 0 H LYS A 66 8.007 -11.472 28.591 1.00 32.35 H new ATOM 0 HA LYS A 66 7.338 -13.763 29.942 1.00 24.22 H new ATOM 0 HB2 LYS A 66 5.770 -11.957 29.518 1.00 54.43 H new ATOM 0 HB3 LYS A 66 5.855 -12.215 27.787 1.00 54.43 H new ATOM 0 HG2 LYS A 66 3.784 -13.153 28.625 1.00 4.34 H new ATOM 0 HG3 LYS A 66 4.816 -14.458 28.075 1.00 4.34 H new ATOM 0 HD2 LYS A 66 5.623 -14.431 30.632 1.00 70.34 H new ATOM 0 HD3 LYS A 66 4.054 -13.691 30.881 1.00 70.34 H new ATOM 0 HE2 LYS A 66 3.463 -15.916 31.079 1.00 33.01 H new ATOM 0 HE3 LYS A 66 3.200 -15.699 29.360 1.00 33.01 H new ATOM 0 HZ1 LYS A 66 4.700 -17.258 28.962 1.00 71.45 H new ATOM 0 HZ2 LYS A 66 5.904 -16.363 29.757 1.00 71.45 H new ATOM 0 HZ3 LYS A 66 4.954 -17.469 30.627 1.00 71.45 H new ATOM 1061 N TYR A 67 7.214 -14.318 26.675 1.00 3.14 N ATOM 1062 CA TYR A 67 7.298 -15.365 25.664 1.00 21.02 C ATOM 1063 C TYR A 67 8.158 -14.917 24.486 1.00 55.10 C ATOM 1064 O TYR A 67 8.937 -15.696 23.940 1.00 61.24 O ATOM 1065 CB TYR A 67 5.899 -15.743 25.175 1.00 62.53 C ATOM 1066 CG TYR A 67 5.710 -17.230 24.972 1.00 42.22 C ATOM 1067 CD1 TYR A 67 6.760 -18.031 24.541 1.00 20.41 C ATOM 1068 CD2 TYR A 67 4.482 -17.833 25.212 1.00 15.21 C ATOM 1069 CE1 TYR A 67 6.591 -19.390 24.354 1.00 44.42 C ATOM 1070 CE2 TYR A 67 4.304 -19.191 25.029 1.00 42.52 C ATOM 1071 CZ TYR A 67 5.362 -19.965 24.599 1.00 11.52 C ATOM 1072 OH TYR A 67 5.190 -21.317 24.415 1.00 23.41 O ATOM 0 H TYR A 67 7.039 -13.385 26.302 1.00 3.14 H new ATOM 0 HA TYR A 67 7.765 -16.239 26.119 1.00 21.02 H new ATOM 0 HB2 TYR A 67 5.163 -15.387 25.895 1.00 62.53 H new ATOM 0 HB3 TYR A 67 5.700 -15.228 24.235 1.00 62.53 H new ATOM 0 HD1 TYR A 67 7.724 -17.584 24.349 1.00 20.41 H new ATOM 0 HD2 TYR A 67 3.651 -17.230 25.548 1.00 15.21 H new ATOM 0 HE1 TYR A 67 7.417 -19.998 24.018 1.00 44.42 H new ATOM 0 HE2 TYR A 67 3.343 -19.644 25.221 1.00 42.52 H new ATOM 0 HH TYR A 67 4.266 -21.562 24.633 1.00 23.41 H new ATOM 1082 N GLY A 68 8.009 -13.653 24.100 1.00 73.20 N ATOM 1083 CA GLY A 68 8.777 -13.121 22.990 1.00 61.43 C ATOM 1084 C GLY A 68 8.508 -11.649 22.751 1.00 54.04 C ATOM 1085 O GLY A 68 7.382 -11.182 22.924 1.00 44.13 O ATOM 0 H GLY A 68 7.370 -12.988 24.536 1.00 73.20 H new ATOM 0 HA2 GLY A 68 9.840 -13.266 23.185 1.00 61.43 H new ATOM 0 HA3 GLY A 68 8.539 -13.682 22.086 1.00 61.43 H new ATOM 1089 N GLU A 69 9.543 -10.916 22.353 1.00 22.14 N ATOM 1090 CA GLU A 69 9.412 -9.487 22.093 1.00 30.42 C ATOM 1091 C GLU A 69 8.528 -9.235 20.875 1.00 31.13 C ATOM 1092 O GLU A 69 7.835 -8.221 20.796 1.00 13.30 O ATOM 1093 CB GLU A 69 10.789 -8.857 21.877 1.00 64.34 C ATOM 1094 CG GLU A 69 11.571 -9.481 20.733 1.00 71.15 C ATOM 1095 CD GLU A 69 11.815 -8.509 19.594 1.00 30.15 C ATOM 1096 OE1 GLU A 69 10.837 -8.137 18.913 1.00 73.01 O ATOM 1097 OE2 GLU A 69 12.983 -8.121 19.385 1.00 1.12 O ATOM 0 H GLU A 69 10.481 -11.288 22.204 1.00 22.14 H new ATOM 0 HA GLU A 69 8.943 -9.027 22.963 1.00 30.42 H new ATOM 0 HB2 GLU A 69 10.665 -7.792 21.683 1.00 64.34 H new ATOM 0 HB3 GLU A 69 11.369 -8.949 22.795 1.00 64.34 H new ATOM 0 HG2 GLU A 69 12.528 -9.844 21.108 1.00 71.15 H new ATOM 0 HG3 GLU A 69 11.027 -10.347 20.356 1.00 71.15 H new ATOM 1104 N LYS A 70 8.558 -10.165 19.927 1.00 60.30 N ATOM 1105 CA LYS A 70 7.760 -10.046 18.712 1.00 21.44 C ATOM 1106 C LYS A 70 6.275 -9.942 19.045 1.00 61.31 C ATOM 1107 O LYS A 70 5.685 -8.866 18.960 1.00 5.45 O ATOM 1108 CB LYS A 70 8.006 -11.248 17.797 1.00 55.23 C ATOM 1109 CG LYS A 70 8.191 -10.872 16.337 1.00 74.03 C ATOM 1110 CD LYS A 70 9.520 -10.173 16.105 1.00 13.11 C ATOM 1111 CE LYS A 70 9.438 -9.190 14.947 1.00 11.34 C ATOM 1112 NZ LYS A 70 10.734 -8.493 14.719 1.00 11.20 N ATOM 0 H LYS A 70 9.127 -11.010 19.976 1.00 60.30 H new ATOM 0 HA LYS A 70 8.063 -9.135 18.195 1.00 21.44 H new ATOM 0 HB2 LYS A 70 8.892 -11.781 18.141 1.00 55.23 H new ATOM 0 HB3 LYS A 70 7.166 -11.937 17.883 1.00 55.23 H new ATOM 0 HG2 LYS A 70 8.138 -11.769 15.720 1.00 74.03 H new ATOM 0 HG3 LYS A 70 7.376 -10.220 16.022 1.00 74.03 H new ATOM 0 HD2 LYS A 70 9.818 -9.645 17.011 1.00 13.11 H new ATOM 0 HD3 LYS A 70 10.292 -10.915 15.900 1.00 13.11 H new ATOM 0 HE2 LYS A 70 9.146 -9.720 14.040 1.00 11.34 H new ATOM 0 HE3 LYS A 70 8.660 -8.454 15.150 1.00 11.34 H new ATOM 0 HZ1 LYS A 70 10.637 -7.832 13.922 1.00 11.20 H new ATOM 0 HZ2 LYS A 70 11.000 -7.966 15.575 1.00 11.20 H new ATOM 0 HZ3 LYS A 70 11.471 -9.193 14.500 1.00 11.20 H new ATOM 1126 N GLU A 71 5.678 -11.068 19.424 1.00 12.33 N ATOM 1127 CA GLU A 71 4.262 -11.101 19.770 1.00 34.11 C ATOM 1128 C GLU A 71 3.924 -10.013 20.785 1.00 14.20 C ATOM 1129 O GLU A 71 2.790 -9.538 20.848 1.00 71.33 O ATOM 1130 CB GLU A 71 3.883 -12.473 20.332 1.00 62.11 C ATOM 1131 CG GLU A 71 2.482 -12.526 20.917 1.00 11.20 C ATOM 1132 CD GLU A 71 2.122 -13.900 21.446 1.00 21.45 C ATOM 1133 OE1 GLU A 71 2.957 -14.499 22.157 1.00 61.14 O ATOM 1134 OE2 GLU A 71 1.007 -14.377 21.151 1.00 73.41 O ATOM 0 H GLU A 71 6.152 -11.968 19.499 1.00 12.33 H new ATOM 0 HA GLU A 71 3.688 -10.917 18.862 1.00 34.11 H new ATOM 0 HB2 GLU A 71 3.965 -13.216 19.539 1.00 62.11 H new ATOM 0 HB3 GLU A 71 4.601 -12.751 21.104 1.00 62.11 H new ATOM 0 HG2 GLU A 71 2.402 -11.798 21.724 1.00 11.20 H new ATOM 0 HG3 GLU A 71 1.762 -12.235 20.152 1.00 11.20 H new ATOM 1141 N ALA A 72 4.916 -9.623 21.578 1.00 20.04 N ATOM 1142 CA ALA A 72 4.725 -8.590 22.589 1.00 23.53 C ATOM 1143 C ALA A 72 4.043 -7.362 21.997 1.00 4.32 C ATOM 1144 O ALA A 72 2.929 -7.010 22.385 1.00 21.20 O ATOM 1145 CB ALA A 72 6.060 -8.208 23.211 1.00 1.50 C ATOM 0 H ALA A 72 5.860 -10.007 21.540 1.00 20.04 H new ATOM 0 HA ALA A 72 4.076 -8.993 23.367 1.00 23.53 H new ATOM 0 HB1 ALA A 72 5.903 -7.436 23.964 1.00 1.50 H new ATOM 0 HB2 ALA A 72 6.508 -9.085 23.678 1.00 1.50 H new ATOM 0 HB3 ALA A 72 6.727 -7.829 22.437 1.00 1.50 H new ATOM 1151 N VAL A 73 4.720 -6.711 21.056 1.00 71.22 N ATOM 1152 CA VAL A 73 4.179 -5.521 20.410 1.00 71.42 C ATOM 1153 C VAL A 73 2.843 -5.820 19.738 1.00 43.00 C ATOM 1154 O VAL A 73 1.953 -4.970 19.695 1.00 64.32 O ATOM 1155 CB VAL A 73 5.155 -4.960 19.359 1.00 24.11 C ATOM 1156 CG1 VAL A 73 4.459 -3.936 18.476 1.00 40.00 C ATOM 1157 CG2 VAL A 73 6.374 -4.352 20.036 1.00 0.44 C ATOM 0 H VAL A 73 5.644 -6.988 20.724 1.00 71.22 H new ATOM 0 HA VAL A 73 4.031 -4.776 21.192 1.00 71.42 H new ATOM 0 HB VAL A 73 5.491 -5.781 18.726 1.00 24.11 H new ATOM 0 HG11 VAL A 73 5.165 -3.551 17.740 1.00 40.00 H new ATOM 0 HG12 VAL A 73 3.621 -4.408 17.963 1.00 40.00 H new ATOM 0 HG13 VAL A 73 4.092 -3.114 19.091 1.00 40.00 H new ATOM 0 HG21 VAL A 73 7.053 -3.960 19.279 1.00 0.44 H new ATOM 0 HG22 VAL A 73 6.059 -3.542 20.694 1.00 0.44 H new ATOM 0 HG23 VAL A 73 6.885 -5.117 20.621 1.00 0.44 H new ATOM 1167 N LYS A 74 2.709 -7.034 19.214 1.00 0.25 N ATOM 1168 CA LYS A 74 1.481 -7.448 18.546 1.00 43.55 C ATOM 1169 C LYS A 74 0.324 -7.533 19.536 1.00 64.31 C ATOM 1170 O LYS A 74 -0.791 -7.103 19.242 1.00 60.33 O ATOM 1171 CB LYS A 74 1.681 -8.801 17.860 1.00 60.02 C ATOM 1172 CG LYS A 74 2.288 -8.696 16.471 1.00 11.24 C ATOM 1173 CD LYS A 74 1.234 -8.378 15.425 1.00 55.34 C ATOM 1174 CE LYS A 74 0.541 -9.638 14.930 1.00 32.32 C ATOM 1175 NZ LYS A 74 -0.602 -10.022 15.804 1.00 32.12 N ATOM 0 H LYS A 74 3.436 -7.749 19.239 1.00 0.25 H new ATOM 0 HA LYS A 74 1.236 -6.699 17.793 1.00 43.55 H new ATOM 0 HB2 LYS A 74 2.325 -9.423 18.482 1.00 60.02 H new ATOM 0 HB3 LYS A 74 0.719 -9.309 17.789 1.00 60.02 H new ATOM 0 HG2 LYS A 74 3.053 -7.920 16.465 1.00 11.24 H new ATOM 0 HG3 LYS A 74 2.783 -9.634 16.217 1.00 11.24 H new ATOM 0 HD2 LYS A 74 0.495 -7.697 15.847 1.00 55.34 H new ATOM 0 HD3 LYS A 74 1.698 -7.863 14.584 1.00 55.34 H new ATOM 0 HE2 LYS A 74 0.183 -9.480 13.913 1.00 32.32 H new ATOM 0 HE3 LYS A 74 1.260 -10.457 14.891 1.00 32.32 H new ATOM 0 HZ1 LYS A 74 -1.332 -10.493 15.233 1.00 32.12 H new ATOM 0 HZ2 LYS A 74 -0.269 -10.671 16.545 1.00 32.12 H new ATOM 0 HZ3 LYS A 74 -1.003 -9.170 16.245 1.00 32.12 H new ATOM 1189 N VAL A 75 0.598 -8.090 20.712 1.00 73.14 N ATOM 1190 CA VAL A 75 -0.420 -8.230 21.746 1.00 2.45 C ATOM 1191 C VAL A 75 -0.968 -6.870 22.165 1.00 71.02 C ATOM 1192 O VAL A 75 -2.056 -6.775 22.732 1.00 34.35 O ATOM 1193 CB VAL A 75 0.138 -8.950 22.988 1.00 32.33 C ATOM 1194 CG1 VAL A 75 0.698 -7.945 23.983 1.00 44.25 C ATOM 1195 CG2 VAL A 75 -0.940 -9.808 23.635 1.00 43.23 C ATOM 0 H VAL A 75 1.516 -8.451 20.972 1.00 73.14 H new ATOM 0 HA VAL A 75 -1.225 -8.828 21.319 1.00 2.45 H new ATOM 0 HB VAL A 75 0.951 -9.604 22.672 1.00 32.33 H new ATOM 0 HG11 VAL A 75 1.087 -8.473 24.853 1.00 44.25 H new ATOM 0 HG12 VAL A 75 1.501 -7.377 23.514 1.00 44.25 H new ATOM 0 HG13 VAL A 75 -0.093 -7.263 24.296 1.00 44.25 H new ATOM 0 HG21 VAL A 75 -0.529 -10.310 24.511 1.00 43.23 H new ATOM 0 HG22 VAL A 75 -1.775 -9.176 23.937 1.00 43.23 H new ATOM 0 HG23 VAL A 75 -1.289 -10.554 22.921 1.00 43.23 H new ATOM 1205 N VAL A 76 -0.207 -5.818 21.880 1.00 11.02 N ATOM 1206 CA VAL A 76 -0.617 -4.462 22.225 1.00 30.03 C ATOM 1207 C VAL A 76 -1.600 -3.907 21.200 1.00 24.31 C ATOM 1208 O VAL A 76 -2.672 -3.415 21.554 1.00 21.43 O ATOM 1209 CB VAL A 76 0.595 -3.517 22.322 1.00 1.32 C ATOM 1210 CG1 VAL A 76 0.226 -2.123 21.837 1.00 32.11 C ATOM 1211 CG2 VAL A 76 1.122 -3.471 23.748 1.00 22.44 C ATOM 0 H VAL A 76 0.697 -5.879 21.411 1.00 11.02 H new ATOM 0 HA VAL A 76 -1.104 -4.517 23.198 1.00 30.03 H new ATOM 0 HB VAL A 76 1.386 -3.902 21.679 1.00 1.32 H new ATOM 0 HG11 VAL A 76 1.095 -1.469 21.913 1.00 32.11 H new ATOM 0 HG12 VAL A 76 -0.100 -2.174 20.798 1.00 32.11 H new ATOM 0 HG13 VAL A 76 -0.582 -1.726 22.452 1.00 32.11 H new ATOM 0 HG21 VAL A 76 1.978 -2.798 23.798 1.00 22.44 H new ATOM 0 HG22 VAL A 76 0.338 -3.111 24.414 1.00 22.44 H new ATOM 0 HG23 VAL A 76 1.428 -4.471 24.055 1.00 22.44 H new ATOM 1221 N LEU A 77 -1.228 -3.990 19.927 1.00 4.15 N ATOM 1222 CA LEU A 77 -2.077 -3.496 18.849 1.00 64.54 C ATOM 1223 C LEU A 77 -3.304 -4.384 18.672 1.00 34.35 C ATOM 1224 O LEU A 77 -4.423 -3.893 18.520 1.00 1.21 O ATOM 1225 CB LEU A 77 -1.287 -3.433 17.540 1.00 20.21 C ATOM 1226 CG LEU A 77 -0.598 -4.728 17.108 1.00 34.33 C ATOM 1227 CD1 LEU A 77 -1.387 -5.408 15.999 1.00 5.22 C ATOM 1228 CD2 LEU A 77 0.828 -4.449 16.658 1.00 60.45 C ATOM 0 H LEU A 77 -0.345 -4.395 19.617 1.00 4.15 H new ATOM 0 HA LEU A 77 -2.412 -2.493 19.114 1.00 64.54 H new ATOM 0 HB2 LEU A 77 -1.965 -3.123 16.745 1.00 20.21 H new ATOM 0 HB3 LEU A 77 -0.529 -2.656 17.634 1.00 20.21 H new ATOM 0 HG LEU A 77 -0.561 -5.401 17.965 1.00 34.33 H new ATOM 0 HD11 LEU A 77 -0.882 -6.328 15.704 1.00 5.22 H new ATOM 0 HD12 LEU A 77 -2.389 -5.643 16.357 1.00 5.22 H new ATOM 0 HD13 LEU A 77 -1.456 -4.741 15.140 1.00 5.22 H new ATOM 0 HD21 LEU A 77 1.303 -5.382 16.354 1.00 60.45 H new ATOM 0 HD22 LEU A 77 0.815 -3.757 15.816 1.00 60.45 H new ATOM 0 HD23 LEU A 77 1.390 -4.007 17.481 1.00 60.45 H new ATOM 1240 N LYS A 78 -3.089 -5.695 18.697 1.00 64.15 N ATOM 1241 CA LYS A 78 -4.177 -6.653 18.543 1.00 20.22 C ATOM 1242 C LYS A 78 -5.293 -6.374 19.545 1.00 25.34 C ATOM 1243 O LYS A 78 -6.471 -6.374 19.193 1.00 72.41 O ATOM 1244 CB LYS A 78 -3.657 -8.081 18.727 1.00 40.30 C ATOM 1245 CG LYS A 78 -4.398 -9.110 17.891 1.00 65.10 C ATOM 1246 CD LYS A 78 -5.139 -10.108 18.764 1.00 32.40 C ATOM 1247 CE LYS A 78 -6.521 -9.598 19.144 1.00 63.00 C ATOM 1248 NZ LYS A 78 -7.406 -9.455 17.955 1.00 45.22 N ATOM 0 H LYS A 78 -2.170 -6.119 18.823 1.00 64.15 H new ATOM 0 HA LYS A 78 -4.581 -6.547 17.536 1.00 20.22 H new ATOM 0 HB2 LYS A 78 -2.598 -8.109 18.469 1.00 40.30 H new ATOM 0 HB3 LYS A 78 -3.736 -8.355 19.779 1.00 40.30 H new ATOM 0 HG2 LYS A 78 -5.105 -8.605 17.233 1.00 65.10 H new ATOM 0 HG3 LYS A 78 -3.691 -9.639 17.252 1.00 65.10 H new ATOM 0 HD2 LYS A 78 -5.233 -11.056 18.235 1.00 32.40 H new ATOM 0 HD3 LYS A 78 -4.561 -10.303 19.667 1.00 32.40 H new ATOM 0 HE2 LYS A 78 -6.978 -10.285 19.856 1.00 63.00 H new ATOM 0 HE3 LYS A 78 -6.427 -8.634 19.645 1.00 63.00 H new ATOM 0 HZ1 LYS A 78 -8.400 -9.525 18.252 1.00 45.22 H new ATOM 0 HZ2 LYS A 78 -7.242 -8.530 17.509 1.00 45.22 H new ATOM 0 HZ3 LYS A 78 -7.195 -10.210 17.272 1.00 45.22 H new ATOM 1262 N GLY A 79 -4.912 -6.135 20.797 1.00 61.12 N ATOM 1263 CA GLY A 79 -5.892 -5.857 21.830 1.00 52.40 C ATOM 1264 C GLY A 79 -6.293 -4.395 21.870 1.00 72.41 C ATOM 1265 O GLY A 79 -7.321 -4.042 22.449 1.00 52.50 O ATOM 0 H GLY A 79 -3.942 -6.129 21.113 1.00 61.12 H new ATOM 0 HA2 GLY A 79 -6.778 -6.469 21.660 1.00 52.40 H new ATOM 0 HA3 GLY A 79 -5.486 -6.146 22.799 1.00 52.40 H new ATOM 1269 N LEU A 80 -5.480 -3.544 21.255 1.00 53.50 N ATOM 1270 CA LEU A 80 -5.755 -2.111 21.224 1.00 62.14 C ATOM 1271 C LEU A 80 -6.909 -1.798 20.276 1.00 23.34 C ATOM 1272 O LEU A 80 -7.644 -0.831 20.474 1.00 42.41 O ATOM 1273 CB LEU A 80 -4.504 -1.342 20.794 1.00 15.52 C ATOM 1274 CG LEU A 80 -3.651 -0.764 21.924 1.00 63.22 C ATOM 1275 CD1 LEU A 80 -2.411 -0.086 21.362 1.00 1.44 C ATOM 1276 CD2 LEU A 80 -4.463 0.213 22.760 1.00 14.33 C ATOM 0 H LEU A 80 -4.626 -3.820 20.771 1.00 53.50 H new ATOM 0 HA LEU A 80 -6.040 -1.798 22.229 1.00 62.14 H new ATOM 0 HB2 LEU A 80 -3.879 -2.008 20.198 1.00 15.52 H new ATOM 0 HB3 LEU A 80 -4.811 -0.524 20.142 1.00 15.52 H new ATOM 0 HG LEU A 80 -3.332 -1.583 22.568 1.00 63.22 H new ATOM 0 HD11 LEU A 80 -1.816 0.320 22.180 1.00 1.44 H new ATOM 0 HD12 LEU A 80 -1.818 -0.814 20.808 1.00 1.44 H new ATOM 0 HD13 LEU A 80 -2.709 0.723 20.695 1.00 1.44 H new ATOM 0 HD21 LEU A 80 -3.839 0.614 23.559 1.00 14.33 H new ATOM 0 HD22 LEU A 80 -4.813 1.029 22.128 1.00 14.33 H new ATOM 0 HD23 LEU A 80 -5.320 -0.303 23.193 1.00 14.33 H new ATOM 1288 N LYS A 81 -7.064 -2.625 19.248 1.00 45.03 N ATOM 1289 CA LYS A 81 -8.130 -2.440 18.271 1.00 61.13 C ATOM 1290 C LYS A 81 -9.485 -2.321 18.961 1.00 52.25 C ATOM 1291 O LYS A 81 -10.203 -1.338 18.774 1.00 34.54 O ATOM 1292 CB LYS A 81 -8.151 -3.607 17.281 1.00 44.13 C ATOM 1293 CG LYS A 81 -7.345 -3.349 16.019 1.00 2.43 C ATOM 1294 CD LYS A 81 -8.235 -3.302 14.789 1.00 40.12 C ATOM 1295 CE LYS A 81 -8.507 -1.871 14.352 1.00 42.44 C ATOM 1296 NZ LYS A 81 -9.964 -1.606 14.193 1.00 63.42 N ATOM 0 H LYS A 81 -6.464 -3.431 19.070 1.00 45.03 H new ATOM 0 HA LYS A 81 -7.935 -1.515 17.729 1.00 61.13 H new ATOM 0 HB2 LYS A 81 -7.763 -4.498 17.774 1.00 44.13 H new ATOM 0 HB3 LYS A 81 -9.184 -3.820 17.005 1.00 44.13 H new ATOM 0 HG2 LYS A 81 -6.807 -2.406 16.116 1.00 2.43 H new ATOM 0 HG3 LYS A 81 -6.596 -4.132 15.898 1.00 2.43 H new ATOM 0 HD2 LYS A 81 -7.760 -3.848 13.974 1.00 40.12 H new ATOM 0 HD3 LYS A 81 -9.179 -3.804 15.002 1.00 40.12 H new ATOM 0 HE2 LYS A 81 -8.091 -1.182 15.087 1.00 42.44 H new ATOM 0 HE3 LYS A 81 -7.998 -1.677 13.408 1.00 42.44 H new ATOM 0 HZ1 LYS A 81 -10.107 -0.620 13.894 1.00 63.42 H new ATOM 0 HZ2 LYS A 81 -10.357 -2.246 13.474 1.00 63.42 H new ATOM 0 HZ3 LYS A 81 -10.447 -1.767 15.100 1.00 63.42 H new ATOM 1310 N VAL A 82 -9.828 -3.327 19.759 1.00 53.31 N ATOM 1311 CA VAL A 82 -11.096 -3.333 20.479 1.00 73.12 C ATOM 1312 C VAL A 82 -11.198 -2.141 21.423 1.00 10.42 C ATOM 1313 O VAL A 82 -12.236 -1.915 22.044 1.00 53.30 O ATOM 1314 CB VAL A 82 -11.276 -4.631 21.288 1.00 61.43 C ATOM 1315 CG1 VAL A 82 -12.731 -4.812 21.692 1.00 11.22 C ATOM 1316 CG2 VAL A 82 -10.784 -5.829 20.489 1.00 43.22 C ATOM 0 H VAL A 82 -9.246 -4.148 19.923 1.00 53.31 H new ATOM 0 HA VAL A 82 -11.885 -3.268 19.730 1.00 73.12 H new ATOM 0 HB VAL A 82 -10.678 -4.558 22.196 1.00 61.43 H new ATOM 0 HG11 VAL A 82 -12.838 -5.734 22.263 1.00 11.22 H new ATOM 0 HG12 VAL A 82 -13.046 -3.968 22.305 1.00 11.22 H new ATOM 0 HG13 VAL A 82 -13.353 -4.864 20.798 1.00 11.22 H new ATOM 0 HG21 VAL A 82 -10.919 -6.738 21.076 1.00 43.22 H new ATOM 0 HG22 VAL A 82 -11.353 -5.907 19.563 1.00 43.22 H new ATOM 0 HG23 VAL A 82 -9.727 -5.701 20.255 1.00 43.22 H new ATOM 1326 N MET A 83 -10.113 -1.380 21.526 1.00 20.22 N ATOM 1327 CA MET A 83 -10.081 -0.209 22.394 1.00 1.32 C ATOM 1328 C MET A 83 -10.163 1.076 21.576 1.00 3.34 C ATOM 1329 O MET A 83 -10.227 2.173 22.131 1.00 60.51 O ATOM 1330 CB MET A 83 -8.806 -0.209 23.240 1.00 41.23 C ATOM 1331 CG MET A 83 -8.779 -1.298 24.300 1.00 75.15 C ATOM 1332 SD MET A 83 -10.116 -1.133 25.498 1.00 33.42 S ATOM 1333 CE MET A 83 -9.591 0.326 26.393 1.00 2.40 C ATOM 0 H MET A 83 -9.245 -1.553 21.019 1.00 20.22 H new ATOM 0 HA MET A 83 -10.946 -0.254 23.055 1.00 1.32 H new ATOM 0 HB2 MET A 83 -7.944 -0.331 22.584 1.00 41.23 H new ATOM 0 HB3 MET A 83 -8.702 0.761 23.725 1.00 41.23 H new ATOM 0 HG2 MET A 83 -8.848 -2.272 23.816 1.00 75.15 H new ATOM 0 HG3 MET A 83 -7.823 -1.268 24.822 1.00 75.15 H new ATOM 0 HE1 MET A 83 -9.724 0.164 27.463 1.00 2.40 H new ATOM 0 HE2 MET A 83 -8.540 0.523 26.184 1.00 2.40 H new ATOM 0 HE3 MET A 83 -10.190 1.181 26.078 1.00 2.40 H new ATOM 1343 N ASN A 84 -10.159 0.933 20.255 1.00 33.21 N ATOM 1344 CA ASN A 84 -10.232 2.083 19.361 1.00 32.12 C ATOM 1345 C ASN A 84 -9.000 2.969 19.513 1.00 3.14 C ATOM 1346 O ASN A 84 -9.112 4.185 19.674 1.00 43.22 O ATOM 1347 CB ASN A 84 -11.497 2.896 19.645 1.00 41.04 C ATOM 1348 CG ASN A 84 -12.712 2.016 19.869 1.00 4.35 C ATOM 1349 OD1 ASN A 84 -13.002 1.720 21.131 1.00 3.30 O flip ATOM 1350 ND2 ASN A 84 -13.381 1.608 18.920 1.00 40.10 N flip ATOM 0 H ASN A 84 -10.106 0.032 19.780 1.00 33.21 H new ATOM 0 HA ASN A 84 -10.268 1.714 18.336 1.00 32.12 H new ATOM 0 HB2 ASN A 84 -11.336 3.519 20.525 1.00 41.04 H new ATOM 0 HB3 ASN A 84 -11.688 3.569 18.809 1.00 41.04 H new ATOM 0 HD21 ASN A 84 -13.121 1.861 17.967 1.00 40.10 H new ATOM 0 HD22 ASN A 84 -14.196 1.017 19.087 1.00 40.10 H new ATOM 1357 N LEU A 85 -7.824 2.352 19.461 1.00 13.24 N ATOM 1358 CA LEU A 85 -6.569 3.084 19.593 1.00 54.54 C ATOM 1359 C LEU A 85 -5.809 3.103 18.270 1.00 12.34 C ATOM 1360 O LEU A 85 -4.580 3.186 18.249 1.00 33.35 O ATOM 1361 CB LEU A 85 -5.701 2.456 20.684 1.00 13.32 C ATOM 1362 CG LEU A 85 -5.792 3.101 22.068 1.00 44.33 C ATOM 1363 CD1 LEU A 85 -5.773 4.618 21.952 1.00 65.50 C ATOM 1364 CD2 LEU A 85 -7.046 2.636 22.792 1.00 20.44 C ATOM 0 H LEU A 85 -7.714 1.347 19.328 1.00 13.24 H new ATOM 0 HA LEU A 85 -6.804 4.111 19.872 1.00 54.54 H new ATOM 0 HB2 LEU A 85 -5.973 1.405 20.777 1.00 13.32 H new ATOM 0 HB3 LEU A 85 -4.662 2.489 20.357 1.00 13.32 H new ATOM 0 HG LEU A 85 -4.924 2.790 22.650 1.00 44.33 H new ATOM 0 HD11 LEU A 85 -5.839 5.060 22.946 1.00 65.50 H new ATOM 0 HD12 LEU A 85 -4.846 4.935 21.475 1.00 65.50 H new ATOM 0 HD13 LEU A 85 -6.621 4.948 21.352 1.00 65.50 H new ATOM 0 HD21 LEU A 85 -7.094 3.105 23.775 1.00 20.44 H new ATOM 0 HD22 LEU A 85 -7.926 2.917 22.213 1.00 20.44 H new ATOM 0 HD23 LEU A 85 -7.018 1.553 22.908 1.00 20.44 H new ATOM 1376 N LEU A 86 -6.547 3.029 17.168 1.00 34.55 N ATOM 1377 CA LEU A 86 -5.943 3.039 15.841 1.00 53.34 C ATOM 1378 C LEU A 86 -5.185 4.341 15.598 1.00 73.52 C ATOM 1379 O LEU A 86 -4.397 4.444 14.659 1.00 4.01 O ATOM 1380 CB LEU A 86 -7.018 2.854 14.768 1.00 12.22 C ATOM 1381 CG LEU A 86 -8.035 3.988 14.634 1.00 12.35 C ATOM 1382 CD1 LEU A 86 -7.973 4.600 13.243 1.00 22.15 C ATOM 1383 CD2 LEU A 86 -9.439 3.484 14.935 1.00 71.22 C ATOM 0 H LEU A 86 -7.565 2.961 17.167 1.00 34.55 H new ATOM 0 HA LEU A 86 -5.236 2.212 15.784 1.00 53.34 H new ATOM 0 HB2 LEU A 86 -6.523 2.721 13.806 1.00 12.22 H new ATOM 0 HB3 LEU A 86 -7.558 1.931 14.979 1.00 12.22 H new ATOM 0 HG LEU A 86 -7.785 4.762 15.360 1.00 12.35 H new ATOM 0 HD11 LEU A 86 -8.704 5.405 13.167 1.00 22.15 H new ATOM 0 HD12 LEU A 86 -6.974 4.999 13.065 1.00 22.15 H new ATOM 0 HD13 LEU A 86 -8.196 3.836 12.499 1.00 22.15 H new ATOM 0 HD21 LEU A 86 -10.149 4.305 14.835 1.00 71.22 H new ATOM 0 HD22 LEU A 86 -9.699 2.691 14.234 1.00 71.22 H new ATOM 0 HD23 LEU A 86 -9.476 3.095 15.952 1.00 71.22 H new ATOM 1395 N GLU A 87 -5.429 5.330 16.452 1.00 70.31 N ATOM 1396 CA GLU A 87 -4.768 6.624 16.330 1.00 62.40 C ATOM 1397 C GLU A 87 -3.252 6.456 16.266 1.00 53.30 C ATOM 1398 O GLU A 87 -2.657 6.494 15.188 1.00 30.23 O ATOM 1399 CB GLU A 87 -5.143 7.526 17.507 1.00 20.04 C ATOM 1400 CG GLU A 87 -4.289 8.779 17.610 1.00 34.22 C ATOM 1401 CD GLU A 87 -4.987 9.900 18.355 1.00 1.41 C ATOM 1402 OE1 GLU A 87 -5.307 9.711 19.547 1.00 22.24 O ATOM 1403 OE2 GLU A 87 -5.213 10.967 17.746 1.00 31.14 O ATOM 0 H GLU A 87 -6.079 5.260 17.235 1.00 70.31 H new ATOM 0 HA GLU A 87 -5.104 7.090 15.404 1.00 62.40 H new ATOM 0 HB2 GLU A 87 -6.189 7.816 17.412 1.00 20.04 H new ATOM 0 HB3 GLU A 87 -5.052 6.958 18.433 1.00 20.04 H new ATOM 0 HG2 GLU A 87 -3.355 8.537 18.117 1.00 34.22 H new ATOM 0 HG3 GLU A 87 -4.029 9.120 16.608 1.00 34.22 H new ATOM 1410 N LEU A 88 -2.634 6.272 17.427 1.00 10.12 N ATOM 1411 CA LEU A 88 -1.188 6.099 17.505 1.00 45.32 C ATOM 1412 C LEU A 88 -0.766 4.761 16.907 1.00 32.44 C ATOM 1413 O LEU A 88 0.352 4.614 16.413 1.00 33.30 O ATOM 1414 CB LEU A 88 -0.720 6.192 18.959 1.00 74.45 C ATOM 1415 CG LEU A 88 -0.721 4.882 19.748 1.00 0.21 C ATOM 1416 CD1 LEU A 88 -2.089 4.222 19.685 1.00 33.52 C ATOM 1417 CD2 LEU A 88 0.352 3.941 19.221 1.00 4.10 C ATOM 0 H LEU A 88 -3.112 6.239 18.328 1.00 10.12 H new ATOM 0 HA LEU A 88 -0.720 6.897 16.928 1.00 45.32 H new ATOM 0 HB2 LEU A 88 0.291 6.599 18.969 1.00 74.45 H new ATOM 0 HB3 LEU A 88 -1.356 6.907 19.480 1.00 74.45 H new ATOM 0 HG LEU A 88 -0.497 5.108 20.791 1.00 0.21 H new ATOM 0 HD11 LEU A 88 -2.070 3.291 20.252 1.00 33.52 H new ATOM 0 HD12 LEU A 88 -2.836 4.892 20.111 1.00 33.52 H new ATOM 0 HD13 LEU A 88 -2.343 4.009 18.647 1.00 33.52 H new ATOM 0 HD21 LEU A 88 0.337 3.014 19.794 1.00 4.10 H new ATOM 0 HD22 LEU A 88 0.160 3.721 18.171 1.00 4.10 H new ATOM 0 HD23 LEU A 88 1.330 4.412 19.320 1.00 4.10 H new ATOM 1429 N VAL A 89 -1.670 3.787 16.955 1.00 63.35 N ATOM 1430 CA VAL A 89 -1.393 2.461 16.415 1.00 33.30 C ATOM 1431 C VAL A 89 -1.077 2.529 14.925 1.00 20.52 C ATOM 1432 O VAL A 89 -0.316 1.713 14.404 1.00 3.40 O ATOM 1433 CB VAL A 89 -2.583 1.507 16.633 1.00 22.12 C ATOM 1434 CG1 VAL A 89 -2.597 0.419 15.570 1.00 23.35 C ATOM 1435 CG2 VAL A 89 -2.531 0.901 18.028 1.00 44.14 C ATOM 0 H VAL A 89 -2.599 3.891 17.362 1.00 63.35 H new ATOM 0 HA VAL A 89 -0.525 2.076 16.950 1.00 33.30 H new ATOM 0 HB VAL A 89 -3.506 2.079 16.545 1.00 22.12 H new ATOM 0 HG11 VAL A 89 -3.444 -0.245 15.740 1.00 23.35 H new ATOM 0 HG12 VAL A 89 -2.686 0.875 14.584 1.00 23.35 H new ATOM 0 HG13 VAL A 89 -1.671 -0.153 15.623 1.00 23.35 H new ATOM 0 HG21 VAL A 89 -3.379 0.230 18.165 1.00 44.14 H new ATOM 0 HG22 VAL A 89 -1.603 0.342 18.148 1.00 44.14 H new ATOM 0 HG23 VAL A 89 -2.574 1.696 18.772 1.00 44.14 H new ATOM 1445 N ASP A 90 -1.666 3.506 14.245 1.00 21.10 N ATOM 1446 CA ASP A 90 -1.446 3.682 12.814 1.00 21.12 C ATOM 1447 C ASP A 90 0.015 3.431 12.454 1.00 30.41 C ATOM 1448 O ASP A 90 0.316 2.641 11.559 1.00 11.22 O ATOM 1449 CB ASP A 90 -1.855 5.091 12.383 1.00 12.22 C ATOM 1450 CG ASP A 90 -2.371 5.134 10.958 1.00 33.14 C ATOM 1451 OD1 ASP A 90 -2.057 4.205 10.185 1.00 33.41 O ATOM 1452 OD2 ASP A 90 -3.090 6.096 10.617 1.00 50.12 O ATOM 0 H ASP A 90 -2.300 4.188 14.661 1.00 21.10 H new ATOM 0 HA ASP A 90 -2.062 2.955 12.285 1.00 21.12 H new ATOM 0 HB2 ASP A 90 -2.626 5.464 13.057 1.00 12.22 H new ATOM 0 HB3 ASP A 90 -0.999 5.759 12.477 1.00 12.22 H new ATOM 1457 N GLN A 91 0.917 4.108 13.156 1.00 3.14 N ATOM 1458 CA GLN A 91 2.346 3.959 12.909 1.00 45.03 C ATOM 1459 C GLN A 91 2.875 2.671 13.531 1.00 4.24 C ATOM 1460 O GLN A 91 3.403 1.803 12.835 1.00 50.24 O ATOM 1461 CB GLN A 91 3.110 5.161 13.467 1.00 24.22 C ATOM 1462 CG GLN A 91 2.598 6.498 12.957 1.00 64.05 C ATOM 1463 CD GLN A 91 1.667 7.180 13.939 1.00 72.01 C ATOM 1464 OE1 GLN A 91 0.542 7.543 13.595 1.00 14.33 O ATOM 1465 NE2 GLN A 91 2.131 7.357 15.170 1.00 3.52 N ATOM 0 H GLN A 91 0.684 4.765 13.900 1.00 3.14 H new ATOM 0 HA GLN A 91 2.499 3.909 11.831 1.00 45.03 H new ATOM 0 HB2 GLN A 91 3.046 5.148 14.555 1.00 24.22 H new ATOM 0 HB3 GLN A 91 4.164 5.063 13.208 1.00 24.22 H new ATOM 0 HG2 GLN A 91 3.445 7.152 12.751 1.00 64.05 H new ATOM 0 HG3 GLN A 91 2.076 6.346 12.013 1.00 64.05 H new ATOM 0 HE21 GLN A 91 3.070 7.040 15.412 1.00 3.52 H new ATOM 0 HE22 GLN A 91 1.548 7.810 15.874 1.00 3.52 H new ATOM 1474 N LEU A 92 2.732 2.554 14.847 1.00 75.53 N ATOM 1475 CA LEU A 92 3.195 1.371 15.564 1.00 3.14 C ATOM 1476 C LEU A 92 2.994 0.112 14.727 1.00 41.21 C ATOM 1477 O LEU A 92 3.929 -0.659 14.513 1.00 44.25 O ATOM 1478 CB LEU A 92 2.455 1.235 16.896 1.00 53.41 C ATOM 1479 CG LEU A 92 2.652 -0.085 17.642 1.00 53.30 C ATOM 1480 CD1 LEU A 92 1.708 -1.148 17.103 1.00 34.43 C ATOM 1481 CD2 LEU A 92 4.097 -0.548 17.534 1.00 42.20 C ATOM 0 H LEU A 92 2.299 3.263 15.439 1.00 75.53 H new ATOM 0 HA LEU A 92 4.261 1.489 15.758 1.00 3.14 H new ATOM 0 HB2 LEU A 92 2.771 2.049 17.549 1.00 53.41 H new ATOM 0 HB3 LEU A 92 1.389 1.370 16.712 1.00 53.41 H new ATOM 0 HG LEU A 92 2.421 0.077 18.695 1.00 53.30 H new ATOM 0 HD11 LEU A 92 1.862 -2.081 17.646 1.00 34.43 H new ATOM 0 HD12 LEU A 92 0.677 -0.819 17.233 1.00 34.43 H new ATOM 0 HD13 LEU A 92 1.907 -1.308 16.043 1.00 34.43 H new ATOM 0 HD21 LEU A 92 4.219 -1.489 18.071 1.00 42.20 H new ATOM 0 HD22 LEU A 92 4.355 -0.693 16.485 1.00 42.20 H new ATOM 0 HD23 LEU A 92 4.754 0.205 17.969 1.00 42.20 H new ATOM 1493 N SER A 93 1.768 -0.088 14.254 1.00 20.44 N ATOM 1494 CA SER A 93 1.443 -1.255 13.441 1.00 4.44 C ATOM 1495 C SER A 93 2.182 -1.210 12.107 1.00 5.54 C ATOM 1496 O SER A 93 2.617 -2.239 11.590 1.00 31.10 O ATOM 1497 CB SER A 93 -0.065 -1.330 13.199 1.00 13.12 C ATOM 1498 OG SER A 93 -0.566 -2.621 13.498 1.00 20.43 O ATOM 0 H SER A 93 0.983 0.542 14.419 1.00 20.44 H new ATOM 0 HA SER A 93 1.761 -2.145 13.983 1.00 4.44 H new ATOM 0 HB2 SER A 93 -0.573 -0.588 13.815 1.00 13.12 H new ATOM 0 HB3 SER A 93 -0.282 -1.084 12.160 1.00 13.12 H new ATOM 0 HG SER A 93 -1.532 -2.642 13.337 1.00 20.43 H new ATOM 1504 N HIS A 94 2.321 -0.008 11.555 1.00 23.32 N ATOM 1505 CA HIS A 94 3.008 0.173 10.281 1.00 23.33 C ATOM 1506 C HIS A 94 4.505 -0.085 10.430 1.00 52.43 C ATOM 1507 O HIS A 94 5.259 0.010 9.461 1.00 4.33 O ATOM 1508 CB HIS A 94 2.772 1.586 9.747 1.00 64.31 C ATOM 1509 CG HIS A 94 3.014 1.717 8.275 1.00 52.34 C ATOM 1510 ND1 HIS A 94 2.828 2.896 7.584 1.00 4.30 N ATOM 1511 CD2 HIS A 94 3.430 0.809 7.361 1.00 12.31 C ATOM 1512 CE1 HIS A 94 3.118 2.707 6.309 1.00 3.41 C ATOM 1513 NE2 HIS A 94 3.486 1.449 6.147 1.00 5.35 N ATOM 0 H HIS A 94 1.967 0.854 11.970 1.00 23.32 H new ATOM 0 HA HIS A 94 2.602 -0.548 9.571 1.00 23.33 H new ATOM 0 HB2 HIS A 94 1.746 1.882 9.966 1.00 64.31 H new ATOM 0 HB3 HIS A 94 3.424 2.280 10.277 1.00 64.31 H new ATOM 0 HD2 HIS A 94 3.673 -0.226 7.551 1.00 12.31 H new ATOM 0 HE1 HIS A 94 3.063 3.454 5.531 1.00 3.41 H new ATOM 0 HE2 HIS A 94 3.766 1.022 5.264 1.00 5.35 H new ATOM 1521 N ILE A 95 4.926 -0.409 11.647 1.00 25.51 N ATOM 1522 CA ILE A 95 6.332 -0.680 11.921 1.00 22.40 C ATOM 1523 C ILE A 95 6.535 -2.119 12.385 1.00 54.14 C ATOM 1524 O ILE A 95 7.607 -2.696 12.202 1.00 44.33 O ATOM 1525 CB ILE A 95 6.892 0.275 12.991 1.00 14.52 C ATOM 1526 CG1 ILE A 95 6.574 1.727 12.626 1.00 32.02 C ATOM 1527 CG2 ILE A 95 8.392 0.079 13.145 1.00 64.32 C ATOM 1528 CD1 ILE A 95 6.695 2.684 13.792 1.00 74.53 C ATOM 0 H ILE A 95 4.314 -0.490 12.459 1.00 25.51 H new ATOM 0 HA ILE A 95 6.871 -0.522 10.987 1.00 22.40 H new ATOM 0 HB ILE A 95 6.416 0.046 13.945 1.00 14.52 H new ATOM 0 HG12 ILE A 95 7.247 2.049 11.831 1.00 32.02 H new ATOM 0 HG13 ILE A 95 5.561 1.779 12.227 1.00 32.02 H new ATOM 0 HG21 ILE A 95 8.772 0.762 13.905 1.00 64.32 H new ATOM 0 HG22 ILE A 95 8.596 -0.949 13.446 1.00 64.32 H new ATOM 0 HG23 ILE A 95 8.885 0.283 12.195 1.00 64.32 H new ATOM 0 HD11 ILE A 95 6.455 3.694 13.460 1.00 74.53 H new ATOM 0 HD12 ILE A 95 6.003 2.387 14.580 1.00 74.53 H new ATOM 0 HD13 ILE A 95 7.714 2.661 14.177 1.00 74.53 H new ATOM 1540 N CYS A 96 5.497 -2.693 12.983 1.00 22.14 N ATOM 1541 CA CYS A 96 5.560 -4.066 13.473 1.00 43.23 C ATOM 1542 C CYS A 96 4.897 -5.024 12.489 1.00 30.52 C ATOM 1543 O CYS A 96 4.647 -6.187 12.811 1.00 0.23 O ATOM 1544 CB CYS A 96 4.886 -4.173 14.841 1.00 3.23 C ATOM 1545 SG CYS A 96 5.304 -5.676 15.754 1.00 25.44 S ATOM 0 H CYS A 96 4.602 -2.230 13.140 1.00 22.14 H new ATOM 0 HA CYS A 96 6.610 -4.343 13.571 1.00 43.23 H new ATOM 0 HB2 CYS A 96 5.166 -3.307 15.441 1.00 3.23 H new ATOM 0 HB3 CYS A 96 3.805 -4.132 14.706 1.00 3.23 H new ATOM 0 HG CYS A 96 5.259 -6.698 14.952 1.00 25.44 H new ATOM 1551 N LEU A 97 4.613 -4.530 11.290 1.00 53.24 N ATOM 1552 CA LEU A 97 3.976 -5.342 10.258 1.00 2.03 C ATOM 1553 C LEU A 97 2.575 -5.766 10.687 1.00 61.12 C ATOM 1554 O LEU A 97 2.401 -6.782 11.361 1.00 64.02 O ATOM 1555 CB LEU A 97 4.826 -6.578 9.958 1.00 41.11 C ATOM 1556 CG LEU A 97 6.319 -6.329 9.742 1.00 63.32 C ATOM 1557 CD1 LEU A 97 7.056 -7.645 9.543 1.00 1.32 C ATOM 1558 CD2 LEU A 97 6.540 -5.407 8.551 1.00 33.44 C ATOM 0 H LEU A 97 4.813 -3.571 11.007 1.00 53.24 H new ATOM 0 HA LEU A 97 3.892 -4.738 9.355 1.00 2.03 H new ATOM 0 HB2 LEU A 97 4.711 -7.282 10.782 1.00 41.11 H new ATOM 0 HB3 LEU A 97 4.426 -7.062 9.067 1.00 41.11 H new ATOM 0 HG LEU A 97 6.719 -5.842 10.632 1.00 63.32 H new ATOM 0 HD11 LEU A 97 8.117 -7.448 9.391 1.00 1.32 H new ATOM 0 HD12 LEU A 97 6.926 -8.272 10.425 1.00 1.32 H new ATOM 0 HD13 LEU A 97 6.653 -8.159 8.670 1.00 1.32 H new ATOM 0 HD21 LEU A 97 7.608 -5.241 8.413 1.00 33.44 H new ATOM 0 HD22 LEU A 97 6.125 -5.866 7.654 1.00 33.44 H new ATOM 0 HD23 LEU A 97 6.045 -4.453 8.733 1.00 33.44 H new ATOM 1570 N HIS A 98 1.578 -4.982 10.289 1.00 34.44 N ATOM 1571 CA HIS A 98 0.191 -5.278 10.630 1.00 74.51 C ATOM 1572 C HIS A 98 -0.294 -6.526 9.898 1.00 73.05 C ATOM 1573 O HIS A 98 -1.223 -7.199 10.345 1.00 13.41 O ATOM 1574 CB HIS A 98 -0.706 -4.089 10.285 1.00 74.33 C ATOM 1575 CG HIS A 98 -0.763 -3.787 8.819 1.00 63.21 C ATOM 1576 ND1 HIS A 98 -1.387 -4.432 7.805 1.00 43.52 N flip ATOM 1577 CD2 HIS A 98 -0.123 -2.708 8.248 1.00 2.14 C flip ATOM 1578 CE1 HIS A 98 -1.116 -3.736 6.653 1.00 72.11 C flip ATOM 1579 NE2 HIS A 98 -0.352 -2.700 6.947 1.00 74.44 N flip ATOM 0 H HIS A 98 1.704 -4.138 9.731 1.00 34.44 H new ATOM 0 HA HIS A 98 0.138 -5.464 11.703 1.00 74.51 H new ATOM 0 HB2 HIS A 98 -1.715 -4.289 10.646 1.00 74.33 H new ATOM 0 HB3 HIS A 98 -0.347 -3.207 10.816 1.00 74.33 H new ATOM 0 HD2 HIS A 98 0.473 -1.982 8.781 1.00 2.14 H new ATOM 0 HE1 HIS A 98 -1.470 -3.994 5.666 1.00 72.11 H new ATOM 0 HE2 HIS A 98 0.001 -2.011 6.283 1.00 74.44 H new ATOM 1587 N ASP A 99 0.340 -6.828 8.770 1.00 30.11 N ATOM 1588 CA ASP A 99 -0.026 -7.995 7.976 1.00 55.13 C ATOM 1589 C ASP A 99 0.053 -9.268 8.812 1.00 62.41 C ATOM 1590 O ASP A 99 -0.554 -10.284 8.473 1.00 35.34 O ATOM 1591 CB ASP A 99 0.886 -8.114 6.754 1.00 24.03 C ATOM 1592 CG ASP A 99 2.347 -8.259 7.135 1.00 53.31 C ATOM 1593 OD1 ASP A 99 2.760 -9.384 7.486 1.00 10.24 O ATOM 1594 OD2 ASP A 99 3.077 -7.247 7.080 1.00 34.24 O ATOM 0 H ASP A 99 1.110 -6.281 8.385 1.00 30.11 H new ATOM 0 HA ASP A 99 -1.055 -7.867 7.640 1.00 55.13 H new ATOM 0 HB2 ASP A 99 0.581 -8.975 6.159 1.00 24.03 H new ATOM 0 HB3 ASP A 99 0.763 -7.232 6.125 1.00 24.03 H new ATOM 1599 N TYR A 100 0.807 -9.207 9.904 1.00 13.40 N ATOM 1600 CA TYR A 100 0.969 -10.356 10.787 1.00 51.33 C ATOM 1601 C TYR A 100 -0.323 -10.647 11.545 1.00 44.21 C ATOM 1602 O TYR A 100 -0.573 -11.780 11.955 1.00 24.25 O ATOM 1603 CB TYR A 100 2.109 -10.109 11.776 1.00 43.33 C ATOM 1604 CG TYR A 100 3.347 -10.928 11.489 1.00 22.45 C ATOM 1605 CD1 TYR A 100 3.295 -12.317 11.465 1.00 1.51 C ATOM 1606 CD2 TYR A 100 4.569 -10.314 11.242 1.00 30.35 C ATOM 1607 CE1 TYR A 100 4.424 -13.069 11.205 1.00 73.22 C ATOM 1608 CE2 TYR A 100 5.703 -11.059 10.980 1.00 75.02 C ATOM 1609 CZ TYR A 100 5.625 -12.436 10.963 1.00 71.04 C ATOM 1610 OH TYR A 100 6.751 -13.182 10.701 1.00 22.35 O ATOM 0 H TYR A 100 1.316 -8.374 10.199 1.00 13.40 H new ATOM 0 HA TYR A 100 1.212 -11.223 10.172 1.00 51.33 H new ATOM 0 HB2 TYR A 100 2.371 -9.051 11.759 1.00 43.33 H new ATOM 0 HB3 TYR A 100 1.760 -10.334 12.784 1.00 43.33 H new ATOM 0 HD1 TYR A 100 2.356 -12.816 11.653 1.00 1.51 H new ATOM 0 HD2 TYR A 100 4.634 -9.236 11.255 1.00 30.35 H new ATOM 0 HE1 TYR A 100 4.366 -14.147 11.191 1.00 73.22 H new ATOM 0 HE2 TYR A 100 6.645 -10.566 10.790 1.00 75.02 H new ATOM 0 HH TYR A 100 7.512 -12.583 10.552 1.00 22.35 H new ATOM 1620 N ARG A 101 -1.140 -9.615 11.726 1.00 11.32 N ATOM 1621 CA ARG A 101 -2.406 -9.758 12.435 1.00 1.11 C ATOM 1622 C ARG A 101 -3.568 -9.882 11.454 1.00 43.04 C ATOM 1623 O ARG A 101 -3.561 -9.265 10.389 1.00 61.42 O ATOM 1624 CB ARG A 101 -2.633 -8.563 13.363 1.00 75.02 C ATOM 1625 CG ARG A 101 -4.091 -8.353 13.739 1.00 50.21 C ATOM 1626 CD ARG A 101 -4.252 -7.210 14.729 1.00 24.35 C ATOM 1627 NE ARG A 101 -4.952 -6.071 14.142 1.00 30.24 N ATOM 1628 CZ ARG A 101 -4.347 -5.115 13.446 1.00 24.43 C ATOM 1629 NH1 ARG A 101 -3.036 -5.162 13.251 1.00 0.11 N ATOM 1630 NH2 ARG A 101 -5.053 -4.111 12.943 1.00 5.34 N ATOM 0 H ARG A 101 -0.948 -8.671 11.392 1.00 11.32 H new ATOM 0 HA ARG A 101 -2.358 -10.669 13.032 1.00 1.11 H new ATOM 0 HB2 ARG A 101 -2.049 -8.704 14.272 1.00 75.02 H new ATOM 0 HB3 ARG A 101 -2.258 -7.661 12.879 1.00 75.02 H new ATOM 0 HG2 ARG A 101 -4.673 -8.143 12.841 1.00 50.21 H new ATOM 0 HG3 ARG A 101 -4.492 -9.270 14.172 1.00 50.21 H new ATOM 0 HD2 ARG A 101 -4.801 -7.562 15.602 1.00 24.35 H new ATOM 0 HD3 ARG A 101 -3.270 -6.891 15.077 1.00 24.35 H new ATOM 0 HE ARG A 101 -5.961 -6.006 14.274 1.00 30.24 H new ATOM 0 HH11 ARG A 101 -2.490 -5.933 13.636 1.00 0.11 H new ATOM 0 HH12 ARG A 101 -2.573 -4.427 12.716 1.00 0.11 H new ATOM 0 HH21 ARG A 101 -6.062 -4.073 13.091 1.00 5.34 H new ATOM 0 HH22 ARG A 101 -4.587 -3.377 12.409 1.00 5.34 H new ATOM 1644 N GLU A 102 -4.563 -10.684 11.820 1.00 3.45 N ATOM 1645 CA GLU A 102 -5.730 -10.889 10.971 1.00 11.02 C ATOM 1646 C GLU A 102 -6.691 -9.708 11.073 1.00 52.05 C ATOM 1647 O GLU A 102 -7.143 -9.392 12.172 1.00 55.53 O ATOM 1648 CB GLU A 102 -6.450 -12.182 11.360 1.00 14.31 C ATOM 1649 CG GLU A 102 -6.251 -13.313 10.366 1.00 45.25 C ATOM 1650 CD GLU A 102 -7.398 -14.304 10.371 1.00 51.12 C ATOM 1651 OE1 GLU A 102 -8.509 -13.927 9.942 1.00 42.32 O ATOM 1652 OE2 GLU A 102 -7.186 -15.456 10.804 1.00 52.34 O ATOM 0 H GLU A 102 -4.584 -11.202 12.698 1.00 3.45 H new ATOM 0 HA GLU A 102 -5.388 -10.968 9.939 1.00 11.02 H new ATOM 0 HB2 GLU A 102 -6.096 -12.504 12.339 1.00 14.31 H new ATOM 0 HB3 GLU A 102 -7.516 -11.979 11.457 1.00 14.31 H new ATOM 0 HG2 GLU A 102 -6.141 -12.896 9.365 1.00 45.25 H new ATOM 0 HG3 GLU A 102 -5.323 -13.836 10.598 1.00 45.25 H new TER 1659 GLU A 102