USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 123:sc= 1.3 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -119:sc= 0.168 (180deg=-0.135) USER MOD Single : A 1 GLY N :NH3+ 178:sc= -0.129 (180deg=-0.15) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0.844 (180deg=0.821) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0606 (180deg=-0.33) USER MOD Single : A 11 THR OG1 : rot -159:sc= 0.207 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.014) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0624 (180deg=-0.387) USER MOD Single : A 26 GLN : amide:sc= -0.613 X(o=-0.61,f=-1) USER MOD Single : A 32 THR OG1 : rot -38:sc= 0.776 USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= 2.18 (180deg=1.08) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 52:sc= 0.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -136:sc= 1.31 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0019 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -1.68! (180deg=-2.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.615 -2.126 -11.330 1.00 0.00 N ATOM 2 CA GLY A 1 -1.987 -1.414 -10.180 1.00 0.00 C ATOM 3 C GLY A 1 -0.774 -2.149 -9.645 1.00 0.00 C ATOM 4 O GLY A 1 -0.228 -1.796 -8.598 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.460 -1.605 -11.641 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.935 -2.185 -12.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.889 -3.086 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.694 -0.411 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.721 -1.298 -9.382 1.00 0.00 H new ATOM 7 N SER A 2 -0.356 -3.176 -10.361 1.00 0.00 N ATOM 8 CA SER A 2 0.787 -3.958 -9.961 1.00 0.00 C ATOM 9 C SER A 2 2.075 -3.227 -10.317 1.00 0.00 C ATOM 10 O SER A 2 2.400 -3.064 -11.498 1.00 0.00 O ATOM 11 CB SER A 2 0.748 -5.325 -10.643 1.00 0.00 C ATOM 12 OG SER A 2 -0.514 -5.945 -10.451 1.00 0.00 O ATOM 0 H SER A 2 -0.797 -3.485 -11.227 1.00 0.00 H new ATOM 0 HA SER A 2 0.756 -4.102 -8.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.944 -5.211 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.536 -5.961 -10.240 1.00 0.00 H new ATOM 0 HG SER A 2 -0.521 -6.818 -10.896 1.00 0.00 H new ATOM 18 N GLY A 3 2.780 -2.758 -9.298 1.00 0.00 N ATOM 19 CA GLY A 3 4.035 -2.078 -9.514 1.00 0.00 C ATOM 20 C GLY A 3 5.078 -3.014 -10.063 1.00 0.00 C ATOM 21 O GLY A 3 5.612 -3.853 -9.334 1.00 0.00 O ATOM 0 H GLY A 3 2.501 -2.838 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.887 -1.249 -10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.386 -1.650 -8.575 1.00 0.00 H new ATOM 25 N LYS A 4 5.358 -2.886 -11.346 1.00 0.00 N ATOM 26 CA LYS A 4 6.303 -3.757 -12.009 1.00 0.00 C ATOM 27 C LYS A 4 7.722 -3.500 -11.547 1.00 0.00 C ATOM 28 O LYS A 4 8.396 -2.581 -12.022 1.00 0.00 O ATOM 29 CB LYS A 4 6.198 -3.622 -13.522 1.00 0.00 C ATOM 30 CG LYS A 4 4.847 -4.036 -14.068 1.00 0.00 C ATOM 31 CD LYS A 4 4.832 -4.018 -15.579 1.00 0.00 C ATOM 32 CE LYS A 4 3.496 -4.484 -16.117 1.00 0.00 C ATOM 33 NZ LYS A 4 3.488 -4.537 -17.593 1.00 0.00 N ATOM 0 H LYS A 4 4.939 -2.180 -11.952 1.00 0.00 H new ATOM 0 HA LYS A 4 6.048 -4.781 -11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.394 -2.587 -13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.973 -4.230 -13.989 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.601 -5.036 -13.712 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.078 -3.364 -13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.039 -3.009 -15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.625 -4.660 -15.961 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.267 -5.472 -15.716 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.711 -3.811 -15.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.557 -4.860 -17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.681 -3.589 -17.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.220 -5.199 -17.921 1.00 0.00 H new ATOM 47 N GLY A 5 8.151 -4.300 -10.602 1.00 0.00 N ATOM 48 CA GLY A 5 9.484 -4.212 -10.095 1.00 0.00 C ATOM 49 C GLY A 5 10.111 -5.573 -10.024 1.00 0.00 C ATOM 50 O GLY A 5 9.534 -6.489 -9.431 1.00 0.00 O ATOM 0 H GLY A 5 7.582 -5.027 -10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.081 -3.563 -10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.473 -3.758 -9.104 1.00 0.00 H new ATOM 54 N LYS A 6 11.271 -5.706 -10.649 1.00 0.00 N ATOM 55 CA LYS A 6 12.022 -6.957 -10.711 1.00 0.00 C ATOM 56 C LYS A 6 11.420 -7.919 -11.734 1.00 0.00 C ATOM 57 O LYS A 6 10.473 -8.653 -11.448 1.00 0.00 O ATOM 58 CB LYS A 6 12.164 -7.620 -9.332 1.00 0.00 C ATOM 59 CG LYS A 6 13.009 -8.885 -9.342 1.00 0.00 C ATOM 60 CD LYS A 6 13.275 -9.393 -7.940 1.00 0.00 C ATOM 61 CE LYS A 6 14.004 -8.354 -7.103 1.00 0.00 C ATOM 62 NZ LYS A 6 14.397 -8.886 -5.781 1.00 0.00 N ATOM 0 H LYS A 6 11.728 -4.935 -11.137 1.00 0.00 H new ATOM 0 HA LYS A 6 13.029 -6.705 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.607 -6.904 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.171 -7.860 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.500 -9.658 -9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.957 -8.686 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.331 -9.652 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.869 -10.306 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.892 -8.016 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.363 -7.483 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.964 -8.176 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.544 -9.106 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.960 -9.751 -5.908 1.00 0.00 H new ATOM 76 N GLY A 7 11.971 -7.886 -12.931 1.00 0.00 N ATOM 77 CA GLY A 7 11.511 -8.735 -13.994 1.00 0.00 C ATOM 78 C GLY A 7 12.072 -8.311 -15.325 1.00 0.00 C ATOM 79 O GLY A 7 12.671 -7.237 -15.429 1.00 0.00 O ATOM 0 H GLY A 7 12.744 -7.272 -13.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.800 -9.766 -13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.422 -8.712 -14.034 1.00 0.00 H new ATOM 83 N GLU A 8 11.897 -9.165 -16.338 1.00 0.00 N ATOM 84 CA GLU A 8 12.358 -8.902 -17.709 1.00 0.00 C ATOM 85 C GLU A 8 13.876 -8.868 -17.816 1.00 0.00 C ATOM 86 O GLU A 8 14.483 -9.777 -18.381 1.00 0.00 O ATOM 87 CB GLU A 8 11.736 -7.618 -18.269 1.00 0.00 C ATOM 88 CG GLU A 8 10.226 -7.700 -18.429 1.00 0.00 C ATOM 89 CD GLU A 8 9.806 -8.794 -19.390 1.00 0.00 C ATOM 90 OE1 GLU A 8 9.727 -9.967 -18.974 1.00 0.00 O ATOM 91 OE2 GLU A 8 9.555 -8.486 -20.567 1.00 0.00 O ATOM 0 H GLU A 8 11.429 -10.065 -16.231 1.00 0.00 H new ATOM 0 HA GLU A 8 12.017 -9.738 -18.319 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.979 -6.786 -17.608 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.185 -7.397 -19.237 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.769 -7.880 -17.456 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.848 -6.742 -18.786 1.00 0.00 H new ATOM 98 N LYS A 9 14.483 -7.844 -17.267 1.00 0.00 N ATOM 99 CA LYS A 9 15.919 -7.702 -17.319 1.00 0.00 C ATOM 100 C LYS A 9 16.563 -8.121 -16.012 1.00 0.00 C ATOM 101 O LYS A 9 17.768 -7.977 -15.834 1.00 0.00 O ATOM 102 CB LYS A 9 16.299 -6.284 -17.677 1.00 0.00 C ATOM 103 CG LYS A 9 15.973 -5.919 -19.118 1.00 0.00 C ATOM 104 CD LYS A 9 16.638 -4.621 -19.543 1.00 0.00 C ATOM 105 CE LYS A 9 18.150 -4.780 -19.708 1.00 0.00 C ATOM 106 NZ LYS A 9 18.499 -5.744 -20.784 1.00 0.00 N ATOM 0 H LYS A 9 14.001 -7.091 -16.775 1.00 0.00 H new ATOM 0 HA LYS A 9 16.294 -8.366 -18.098 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.780 -5.597 -17.009 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.367 -6.148 -17.508 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.296 -6.724 -19.778 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.893 -5.827 -19.233 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.204 -4.282 -20.484 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.433 -3.849 -18.801 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.593 -3.810 -19.934 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.583 -5.117 -18.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.489 -5.601 -21.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.377 -6.715 -20.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.876 -5.591 -21.603 1.00 0.00 H new ATOM 120 N CYS A 10 15.753 -8.627 -15.097 1.00 0.00 N ATOM 121 CA CYS A 10 16.268 -9.149 -13.845 1.00 0.00 C ATOM 122 C CYS A 10 16.862 -10.515 -14.059 1.00 0.00 C ATOM 123 O CYS A 10 16.615 -11.164 -15.081 1.00 0.00 O ATOM 124 CB CYS A 10 15.176 -9.238 -12.783 1.00 0.00 C ATOM 125 SG CYS A 10 14.899 -7.720 -11.871 1.00 0.00 S ATOM 0 H CYS A 10 14.740 -8.687 -15.198 1.00 0.00 H new ATOM 0 HA CYS A 10 17.036 -8.460 -13.494 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.243 -9.534 -13.263 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.436 -10.028 -12.078 1.00 0.00 H new ATOM 130 N THR A 11 17.634 -10.951 -13.112 1.00 0.00 N ATOM 131 CA THR A 11 18.247 -12.242 -13.188 1.00 0.00 C ATOM 132 C THR A 11 17.523 -13.213 -12.265 1.00 0.00 C ATOM 133 O THR A 11 16.784 -12.792 -11.363 1.00 0.00 O ATOM 134 CB THR A 11 19.731 -12.171 -12.795 1.00 0.00 C ATOM 135 OG1 THR A 11 19.853 -11.791 -11.419 1.00 0.00 O ATOM 136 CG2 THR A 11 20.464 -11.165 -13.668 1.00 0.00 C ATOM 0 H THR A 11 17.857 -10.425 -12.267 1.00 0.00 H new ATOM 0 HA THR A 11 18.177 -12.592 -14.218 1.00 0.00 H new ATOM 0 HB THR A 11 20.176 -13.155 -12.941 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.746 -11.420 -11.260 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.514 -11.127 -13.377 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.388 -11.466 -14.713 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.016 -10.179 -13.541 1.00 0.00 H new ATOM 144 N SER A 12 17.730 -14.500 -12.474 1.00 0.00 N ATOM 145 CA SER A 12 17.118 -15.509 -11.631 1.00 0.00 C ATOM 146 C SER A 12 17.749 -15.491 -10.238 1.00 0.00 C ATOM 147 O SER A 12 17.218 -16.071 -9.286 1.00 0.00 O ATOM 148 CB SER A 12 17.251 -16.882 -12.282 1.00 0.00 C ATOM 149 OG SER A 12 16.645 -16.876 -13.569 1.00 0.00 O ATOM 0 H SER A 12 18.318 -14.871 -13.221 1.00 0.00 H new ATOM 0 HA SER A 12 16.057 -15.287 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.304 -17.151 -12.369 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.780 -17.638 -11.654 1.00 0.00 H new ATOM 0 HG SER A 12 16.738 -17.762 -13.978 1.00 0.00 H new ATOM 155 N ALA A 13 18.879 -14.807 -10.130 1.00 0.00 N ATOM 156 CA ALA A 13 19.563 -14.639 -8.868 1.00 0.00 C ATOM 157 C ALA A 13 18.913 -13.517 -8.072 1.00 0.00 C ATOM 158 O ALA A 13 18.835 -13.570 -6.842 1.00 0.00 O ATOM 159 CB ALA A 13 21.030 -14.334 -9.108 1.00 0.00 C ATOM 0 H ALA A 13 19.343 -14.355 -10.918 1.00 0.00 H new ATOM 0 HA ALA A 13 19.488 -15.564 -8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.537 -14.209 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.488 -15.157 -9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.120 -13.416 -9.689 1.00 0.00 H new ATOM 165 N CYS A 14 18.436 -12.505 -8.784 1.00 0.00 N ATOM 166 CA CYS A 14 17.778 -11.372 -8.161 1.00 0.00 C ATOM 167 C CYS A 14 16.372 -11.748 -7.717 1.00 0.00 C ATOM 168 O CYS A 14 15.847 -11.204 -6.743 1.00 0.00 O ATOM 169 CB CYS A 14 17.730 -10.184 -9.116 1.00 0.00 C ATOM 170 SG CYS A 14 17.014 -8.701 -8.394 1.00 0.00 S ATOM 0 H CYS A 14 18.495 -12.449 -9.801 1.00 0.00 H new ATOM 0 HA CYS A 14 18.356 -11.085 -7.282 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.742 -9.960 -9.454 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.154 -10.462 -9.998 1.00 0.00 H new ATOM 175 N ARG A 15 15.763 -12.698 -8.424 1.00 0.00 N ATOM 176 CA ARG A 15 14.432 -13.174 -8.066 1.00 0.00 C ATOM 177 C ARG A 15 14.494 -14.132 -6.879 1.00 0.00 C ATOM 178 O ARG A 15 13.507 -14.774 -6.525 1.00 0.00 O ATOM 179 CB ARG A 15 13.740 -13.840 -9.257 1.00 0.00 C ATOM 180 CG ARG A 15 13.316 -12.866 -10.346 1.00 0.00 C ATOM 181 CD ARG A 15 12.195 -13.452 -11.190 1.00 0.00 C ATOM 182 NE ARG A 15 11.502 -12.429 -11.982 1.00 0.00 N ATOM 183 CZ ARG A 15 10.181 -12.438 -12.236 1.00 0.00 C ATOM 184 NH1 ARG A 15 9.419 -13.445 -11.804 1.00 0.00 N ATOM 185 NH2 ARG A 15 9.625 -11.443 -12.921 1.00 0.00 N ATOM 0 H ARG A 15 16.169 -13.150 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 15 13.841 -12.305 -7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.413 -14.581 -9.688 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.861 -14.377 -8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.986 -11.930 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.170 -12.630 -10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.604 -14.210 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.478 -13.953 -10.540 1.00 0.00 H new ATOM 0 HE ARG A 15 12.057 -11.663 -12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.838 -14.212 -11.279 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.418 -13.447 -11.999 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.200 -10.670 -13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.623 -11.453 -13.112 1.00 0.00 H new ATOM 199 N SER A 16 15.660 -14.222 -6.277 1.00 0.00 N ATOM 200 CA SER A 16 15.864 -15.038 -5.114 1.00 0.00 C ATOM 201 C SER A 16 16.032 -14.136 -3.895 1.00 0.00 C ATOM 202 O SER A 16 16.498 -12.997 -4.018 1.00 0.00 O ATOM 203 CB SER A 16 17.105 -15.918 -5.306 1.00 0.00 C ATOM 204 OG SER A 16 17.319 -16.768 -4.191 1.00 0.00 O ATOM 0 H SER A 16 16.495 -13.725 -6.588 1.00 0.00 H new ATOM 0 HA SER A 16 15.002 -15.688 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.989 -16.521 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.980 -15.286 -5.456 1.00 0.00 H new ATOM 0 HG SER A 16 18.116 -17.316 -4.346 1.00 0.00 H new ATOM 210 N GLU A 17 15.633 -14.624 -2.737 1.00 0.00 N ATOM 211 CA GLU A 17 15.774 -13.869 -1.509 1.00 0.00 C ATOM 212 C GLU A 17 16.486 -14.706 -0.443 1.00 0.00 C ATOM 213 O GLU A 17 16.064 -15.823 -0.137 1.00 0.00 O ATOM 214 CB GLU A 17 14.410 -13.371 -1.010 1.00 0.00 C ATOM 215 CG GLU A 17 13.372 -14.464 -0.821 1.00 0.00 C ATOM 216 CD GLU A 17 12.028 -13.915 -0.412 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.845 -13.604 0.787 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.139 -13.794 -1.283 1.00 0.00 O ATOM 0 H GLU A 17 15.207 -15.544 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 17 16.388 -12.992 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.551 -12.853 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.023 -12.638 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.265 -15.025 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.721 -15.166 -0.063 1.00 0.00 H new ATOM 225 N PRO A 18 17.599 -14.190 0.115 1.00 0.00 N ATOM 226 CA PRO A 18 18.142 -12.876 -0.249 1.00 0.00 C ATOM 227 C PRO A 18 18.735 -12.872 -1.654 1.00 0.00 C ATOM 228 O PRO A 18 18.897 -13.931 -2.277 1.00 0.00 O ATOM 229 CB PRO A 18 19.247 -12.622 0.788 1.00 0.00 C ATOM 230 CG PRO A 18 19.105 -13.710 1.810 1.00 0.00 C ATOM 231 CD PRO A 18 18.419 -14.855 1.125 1.00 0.00 C ATOM 0 HA PRO A 18 17.366 -12.111 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.233 -12.648 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 18 19.136 -11.639 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.080 -14.014 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.523 -13.365 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.134 -15.543 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.812 -15.436 1.820 1.00 0.00 H new ATOM 239 N CYS A 19 19.056 -11.687 -2.142 1.00 0.00 N ATOM 240 CA CYS A 19 19.584 -11.523 -3.482 1.00 0.00 C ATOM 241 C CYS A 19 20.843 -12.351 -3.685 1.00 0.00 C ATOM 242 O CYS A 19 21.704 -12.423 -2.808 1.00 0.00 O ATOM 243 CB CYS A 19 19.876 -10.062 -3.754 1.00 0.00 C ATOM 244 SG CYS A 19 20.154 -9.697 -5.495 1.00 0.00 S ATOM 0 H CYS A 19 18.958 -10.815 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 19 18.829 -11.876 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 19 19.042 -9.460 -3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.755 -9.763 -3.183 1.00 0.00 H new ATOM 249 N GLN A 20 20.943 -12.979 -4.839 1.00 0.00 N ATOM 250 CA GLN A 20 22.074 -13.831 -5.144 1.00 0.00 C ATOM 251 C GLN A 20 22.935 -13.229 -6.255 1.00 0.00 C ATOM 252 O GLN A 20 23.766 -13.917 -6.849 1.00 0.00 O ATOM 253 CB GLN A 20 21.583 -15.226 -5.541 1.00 0.00 C ATOM 254 CG GLN A 20 20.766 -15.924 -4.459 1.00 0.00 C ATOM 255 CD GLN A 20 21.582 -16.246 -3.218 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.191 -17.306 -3.122 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.596 -15.336 -2.265 1.00 0.00 N ATOM 0 H GLN A 20 20.250 -12.914 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 20 22.694 -13.913 -4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.978 -15.144 -6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.444 -15.846 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.925 -15.290 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.349 -16.847 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.076 -14.466 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.127 -15.501 -1.410 1.00 0.00 H new ATOM 266 N CYS A 21 22.744 -11.942 -6.521 1.00 0.00 N ATOM 267 CA CYS A 21 23.516 -11.250 -7.555 1.00 0.00 C ATOM 268 C CYS A 21 24.804 -10.655 -6.982 1.00 0.00 C ATOM 269 O CYS A 21 25.459 -9.835 -7.627 1.00 0.00 O ATOM 270 CB CYS A 21 22.687 -10.135 -8.191 1.00 0.00 C ATOM 271 SG CYS A 21 21.089 -10.660 -8.836 1.00 0.00 S ATOM 0 H CYS A 21 22.064 -11.355 -6.038 1.00 0.00 H new ATOM 0 HA CYS A 21 23.776 -11.988 -8.314 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.525 -9.353 -7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.263 -9.690 -9.003 1.00 0.00 H new ATOM 276 N GLY A 22 25.169 -11.085 -5.778 1.00 0.00 N ATOM 277 CA GLY A 22 26.358 -10.563 -5.116 1.00 0.00 C ATOM 278 C GLY A 22 27.627 -10.751 -5.933 1.00 0.00 C ATOM 279 O GLY A 22 28.398 -9.812 -6.122 1.00 0.00 O ATOM 0 H GLY A 22 24.661 -11.790 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.217 -9.501 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.477 -11.058 -4.152 1.00 0.00 H new ATOM 283 N SER A 23 27.841 -11.958 -6.421 1.00 0.00 N ATOM 284 CA SER A 23 29.026 -12.260 -7.208 1.00 0.00 C ATOM 285 C SER A 23 28.665 -12.571 -8.650 1.00 0.00 C ATOM 286 O SER A 23 29.494 -13.066 -9.418 1.00 0.00 O ATOM 287 CB SER A 23 29.773 -13.432 -6.587 1.00 0.00 C ATOM 288 OG SER A 23 30.012 -13.205 -5.205 1.00 0.00 O ATOM 0 H SER A 23 27.210 -12.748 -6.287 1.00 0.00 H new ATOM 0 HA SER A 23 29.670 -11.381 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 23 29.194 -14.347 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.721 -13.580 -7.105 1.00 0.00 H new ATOM 0 HG SER A 23 30.491 -13.971 -4.826 1.00 0.00 H new ATOM 294 N LYS A 24 27.437 -12.264 -9.019 1.00 0.00 N ATOM 295 CA LYS A 24 26.963 -12.521 -10.361 1.00 0.00 C ATOM 296 C LYS A 24 25.678 -11.753 -10.625 1.00 0.00 C ATOM 297 O LYS A 24 24.608 -12.153 -10.180 1.00 0.00 O ATOM 298 CB LYS A 24 26.729 -14.019 -10.561 1.00 0.00 C ATOM 299 CG LYS A 24 26.257 -14.381 -11.948 1.00 0.00 C ATOM 300 CD LYS A 24 25.969 -15.867 -12.066 1.00 0.00 C ATOM 301 CE LYS A 24 25.349 -16.212 -13.410 1.00 0.00 C ATOM 302 NZ LYS A 24 24.044 -15.526 -13.616 1.00 0.00 N ATOM 0 H LYS A 24 26.747 -11.834 -8.403 1.00 0.00 H new ATOM 0 HA LYS A 24 27.722 -12.185 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.656 -14.553 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.992 -14.362 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.357 -13.815 -12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.015 -14.097 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.894 -16.429 -11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.296 -16.172 -11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.036 -15.931 -14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 24 25.206 -17.290 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.517 -16.003 -14.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.491 -15.560 -12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 24.211 -14.534 -13.881 1.00 0.00 H new ATOM 316 N CYS A 25 25.789 -10.651 -11.332 1.00 0.00 N ATOM 317 CA CYS A 25 24.641 -9.830 -11.634 1.00 0.00 C ATOM 318 C CYS A 25 24.601 -9.461 -13.112 1.00 0.00 C ATOM 319 O CYS A 25 25.645 -9.339 -13.761 1.00 0.00 O ATOM 320 CB CYS A 25 24.664 -8.563 -10.795 1.00 0.00 C ATOM 321 SG CYS A 25 23.175 -7.570 -10.955 1.00 0.00 S ATOM 0 H CYS A 25 26.670 -10.302 -11.710 1.00 0.00 H new ATOM 0 HA CYS A 25 23.748 -10.408 -11.396 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.800 -8.833 -9.748 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.525 -7.961 -11.084 1.00 0.00 H new ATOM 326 N GLN A 26 23.391 -9.284 -13.630 1.00 0.00 N ATOM 327 CA GLN A 26 23.171 -8.904 -15.022 1.00 0.00 C ATOM 328 C GLN A 26 21.852 -8.160 -15.180 1.00 0.00 C ATOM 329 O GLN A 26 21.287 -8.100 -16.279 1.00 0.00 O ATOM 330 CB GLN A 26 23.184 -10.134 -15.933 1.00 0.00 C ATOM 331 CG GLN A 26 24.538 -10.414 -16.557 1.00 0.00 C ATOM 332 CD GLN A 26 25.079 -9.225 -17.326 1.00 0.00 C ATOM 333 OE1 GLN A 26 25.791 -8.383 -16.775 1.00 0.00 O ATOM 334 NE2 GLN A 26 24.738 -9.141 -18.592 1.00 0.00 N ATOM 0 H GLN A 26 22.531 -9.400 -13.095 1.00 0.00 H new ATOM 0 HA GLN A 26 23.985 -8.241 -15.315 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.872 -11.005 -15.357 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.449 -9.996 -16.726 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.245 -10.689 -15.775 1.00 0.00 H new ATOM 0 HG3 GLN A 26 24.456 -11.269 -17.227 1.00 0.00 H new ATOM 0 HE21 GLN A 26 24.147 -9.860 -19.010 1.00 0.00 H new ATOM 0 HE22 GLN A 26 25.065 -8.357 -19.157 1.00 0.00 H new ATOM 343 N CYS A 27 21.370 -7.585 -14.089 1.00 0.00 N ATOM 344 CA CYS A 27 20.114 -6.858 -14.112 1.00 0.00 C ATOM 345 C CYS A 27 20.231 -5.586 -14.922 1.00 0.00 C ATOM 346 O CYS A 27 21.280 -4.936 -14.940 1.00 0.00 O ATOM 347 CB CYS A 27 19.637 -6.550 -12.702 1.00 0.00 C ATOM 348 SG CYS A 27 19.136 -8.009 -11.782 1.00 0.00 S ATOM 0 H CYS A 27 21.830 -7.609 -13.179 1.00 0.00 H new ATOM 0 HA CYS A 27 19.373 -7.497 -14.592 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.435 -6.044 -12.159 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.798 -5.857 -12.754 1.00 0.00 H new ATOM 353 N GLY A 28 19.157 -5.246 -15.599 1.00 0.00 N ATOM 354 CA GLY A 28 19.144 -4.062 -16.421 1.00 0.00 C ATOM 355 C GLY A 28 18.898 -2.797 -15.625 1.00 0.00 C ATOM 356 O GLY A 28 19.143 -2.750 -14.419 1.00 0.00 O ATOM 0 H GLY A 28 18.284 -5.773 -15.595 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.097 -3.977 -16.943 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.371 -4.163 -17.183 1.00 0.00 H new ATOM 360 N GLU A 29 18.409 -1.777 -16.295 1.00 0.00 N ATOM 361 CA GLU A 29 18.103 -0.515 -15.648 1.00 0.00 C ATOM 362 C GLU A 29 16.785 -0.627 -14.910 1.00 0.00 C ATOM 363 O GLU A 29 16.587 -0.003 -13.855 1.00 0.00 O ATOM 364 CB GLU A 29 18.064 0.648 -16.668 1.00 0.00 C ATOM 365 CG GLU A 29 17.030 0.502 -17.788 1.00 0.00 C ATOM 366 CD GLU A 29 17.370 -0.592 -18.772 1.00 0.00 C ATOM 367 OE1 GLU A 29 18.069 -0.307 -19.768 1.00 0.00 O ATOM 368 OE2 GLU A 29 16.945 -1.743 -18.550 1.00 0.00 O ATOM 0 H GLU A 29 18.213 -1.795 -17.296 1.00 0.00 H new ATOM 0 HA GLU A 29 18.895 -0.293 -14.933 1.00 0.00 H new ATOM 0 HB2 GLU A 29 17.864 1.575 -16.130 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.052 0.748 -17.118 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.054 0.296 -17.348 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.946 1.449 -18.322 1.00 0.00 H new ATOM 375 N GLY A 30 15.896 -1.453 -15.455 1.00 0.00 N ATOM 376 CA GLY A 30 14.605 -1.679 -14.849 1.00 0.00 C ATOM 377 C GLY A 30 14.681 -2.641 -13.682 1.00 0.00 C ATOM 378 O GLY A 30 14.075 -3.706 -13.704 1.00 0.00 O ATOM 0 H GLY A 30 16.055 -1.974 -16.317 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.194 -0.729 -14.508 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.918 -2.073 -15.598 1.00 0.00 H new ATOM 382 N CYS A 31 15.441 -2.269 -12.681 1.00 0.00 N ATOM 383 CA CYS A 31 15.583 -3.055 -11.477 1.00 0.00 C ATOM 384 C CYS A 31 15.334 -2.155 -10.281 1.00 0.00 C ATOM 385 O CYS A 31 15.715 -0.980 -10.293 1.00 0.00 O ATOM 386 CB CYS A 31 16.986 -3.686 -11.400 1.00 0.00 C ATOM 387 SG CYS A 31 17.255 -4.758 -9.960 1.00 0.00 S ATOM 0 H CYS A 31 15.983 -1.405 -12.678 1.00 0.00 H new ATOM 0 HA CYS A 31 14.858 -3.869 -11.482 1.00 0.00 H new ATOM 0 HB2 CYS A 31 17.159 -4.267 -12.306 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.729 -2.888 -11.386 1.00 0.00 H new ATOM 392 N THR A 32 14.688 -2.682 -9.270 1.00 0.00 N ATOM 393 CA THR A 32 14.367 -1.894 -8.101 1.00 0.00 C ATOM 394 C THR A 32 14.998 -2.501 -6.849 1.00 0.00 C ATOM 395 O THR A 32 14.678 -2.115 -5.723 1.00 0.00 O ATOM 396 CB THR A 32 12.828 -1.757 -7.928 1.00 0.00 C ATOM 397 OG1 THR A 32 12.516 -0.876 -6.837 1.00 0.00 O ATOM 398 CG2 THR A 32 12.180 -3.117 -7.693 1.00 0.00 C ATOM 0 H THR A 32 14.374 -3.652 -9.231 1.00 0.00 H new ATOM 0 HA THR A 32 14.782 -0.896 -8.244 1.00 0.00 H new ATOM 0 HB THR A 32 12.428 -1.335 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.155 -1.020 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.104 -2.992 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.379 -3.767 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.594 -3.566 -6.790 1.00 0.00 H new ATOM 406 N CYS A 33 15.907 -3.438 -7.046 1.00 0.00 N ATOM 407 CA CYS A 33 16.578 -4.064 -5.933 1.00 0.00 C ATOM 408 C CYS A 33 17.843 -3.297 -5.585 1.00 0.00 C ATOM 409 O CYS A 33 18.779 -3.223 -6.380 1.00 0.00 O ATOM 410 CB CYS A 33 16.911 -5.519 -6.241 1.00 0.00 C ATOM 411 SG CYS A 33 17.605 -6.418 -4.833 1.00 0.00 S ATOM 0 H CYS A 33 16.193 -3.778 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 33 15.904 -4.046 -5.076 1.00 0.00 H new ATOM 0 HB2 CYS A 33 16.006 -6.027 -6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.620 -5.553 -7.068 1.00 0.00 H new ATOM 416 N ALA A 34 17.869 -2.731 -4.394 1.00 0.00 N ATOM 417 CA ALA A 34 19.006 -1.948 -3.947 1.00 0.00 C ATOM 418 C ALA A 34 20.142 -2.843 -3.455 1.00 0.00 C ATOM 419 O ALA A 34 21.158 -2.356 -2.962 1.00 0.00 O ATOM 420 CB ALA A 34 18.580 -0.978 -2.858 1.00 0.00 C ATOM 0 H ALA A 34 17.111 -2.799 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 34 19.379 -1.380 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.442 -0.396 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.816 -0.306 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.176 -1.535 -2.012 1.00 0.00 H new ATOM 426 N ALA A 35 19.968 -4.148 -3.597 1.00 0.00 N ATOM 427 CA ALA A 35 20.981 -5.095 -3.180 1.00 0.00 C ATOM 428 C ALA A 35 22.074 -5.215 -4.231 1.00 0.00 C ATOM 429 O ALA A 35 23.263 -5.249 -3.905 1.00 0.00 O ATOM 430 CB ALA A 35 20.363 -6.453 -2.897 1.00 0.00 C ATOM 0 H ALA A 35 19.132 -4.572 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 35 21.432 -4.724 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 35 21.142 -7.149 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.623 -6.357 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.881 -6.828 -3.799 1.00 0.00 H new ATOM 436 N CYS A 36 21.676 -5.274 -5.485 1.00 0.00 N ATOM 437 CA CYS A 36 22.623 -5.395 -6.578 1.00 0.00 C ATOM 438 C CYS A 36 22.757 -4.081 -7.347 1.00 0.00 C ATOM 439 O CYS A 36 23.852 -3.715 -7.790 1.00 0.00 O ATOM 440 CB CYS A 36 22.196 -6.523 -7.508 1.00 0.00 C ATOM 441 SG CYS A 36 20.476 -6.417 -8.043 1.00 0.00 S ATOM 0 H CYS A 36 20.699 -5.240 -5.775 1.00 0.00 H new ATOM 0 HA CYS A 36 23.602 -5.630 -6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.841 -6.520 -8.387 1.00 0.00 H new ATOM 0 HB3 CYS A 36 22.351 -7.476 -7.002 1.00 0.00 H new ATOM 446 N LYS A 37 21.654 -3.364 -7.484 1.00 0.00 N ATOM 447 CA LYS A 37 21.654 -2.101 -8.201 1.00 0.00 C ATOM 448 C LYS A 37 22.175 -0.983 -7.308 1.00 0.00 C ATOM 449 O LYS A 37 21.583 -0.662 -6.275 1.00 0.00 O ATOM 450 CB LYS A 37 20.246 -1.778 -8.723 1.00 0.00 C ATOM 451 CG LYS A 37 20.140 -0.460 -9.483 1.00 0.00 C ATOM 452 CD LYS A 37 18.750 -0.279 -10.076 1.00 0.00 C ATOM 453 CE LYS A 37 18.582 1.089 -10.717 1.00 0.00 C ATOM 454 NZ LYS A 37 17.231 1.264 -11.325 1.00 0.00 N ATOM 0 H LYS A 37 20.746 -3.636 -7.107 1.00 0.00 H new ATOM 0 HA LYS A 37 22.320 -2.188 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.920 -2.587 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.556 -1.753 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.363 0.369 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.884 -0.435 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.569 -1.054 -10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.002 -0.408 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.744 1.863 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.344 1.225 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.961 2.268 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.253 0.948 -12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.536 0.699 -10.796 1.00 0.00 H new ATOM 468 N THR A 38 23.291 -0.407 -7.699 1.00 0.00 N ATOM 469 CA THR A 38 23.911 0.654 -6.938 1.00 0.00 C ATOM 470 C THR A 38 24.084 1.906 -7.806 1.00 0.00 C ATOM 471 O THR A 38 23.640 1.939 -8.953 1.00 0.00 O ATOM 472 CB THR A 38 25.285 0.195 -6.369 1.00 0.00 C ATOM 473 OG1 THR A 38 25.839 1.207 -5.515 1.00 0.00 O ATOM 474 CG2 THR A 38 26.265 -0.121 -7.493 1.00 0.00 C ATOM 0 H THR A 38 23.792 -0.660 -8.550 1.00 0.00 H new ATOM 0 HA THR A 38 23.258 0.899 -6.100 1.00 0.00 H new ATOM 0 HB THR A 38 25.118 -0.712 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.702 0.902 -5.164 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.217 -0.439 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.860 -0.920 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.420 0.770 -8.102 1.00 0.00 H new ATOM 482 N CYS A 39 24.710 2.922 -7.249 1.00 0.00 N ATOM 483 CA CYS A 39 24.957 4.167 -7.952 1.00 0.00 C ATOM 484 C CYS A 39 26.175 4.862 -7.362 1.00 0.00 C ATOM 485 O CYS A 39 26.380 4.847 -6.145 1.00 0.00 O ATOM 486 CB CYS A 39 23.729 5.081 -7.878 1.00 0.00 C ATOM 487 SG CYS A 39 23.935 6.696 -8.673 1.00 0.00 S ATOM 0 H CYS A 39 25.064 2.909 -6.292 1.00 0.00 H new ATOM 0 HA CYS A 39 25.152 3.945 -9.001 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.884 4.569 -8.340 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.473 5.238 -6.830 1.00 0.00 H new ATOM 492 N ASN A 40 26.988 5.445 -8.225 1.00 0.00 N ATOM 493 CA ASN A 40 28.198 6.150 -7.798 1.00 0.00 C ATOM 494 C ASN A 40 27.916 7.617 -7.531 1.00 0.00 C ATOM 495 O ASN A 40 28.703 8.297 -6.879 1.00 0.00 O ATOM 496 CB ASN A 40 29.310 6.022 -8.849 1.00 0.00 C ATOM 497 CG ASN A 40 30.079 4.709 -8.777 1.00 0.00 C ATOM 498 OD1 ASN A 40 29.434 3.659 -8.309 1.00 0.00 O flip ATOM 499 ND2 ASN A 40 31.249 4.649 -9.147 1.00 0.00 N flip ATOM 0 H ASN A 40 26.836 5.447 -9.234 1.00 0.00 H new ATOM 0 HA ASN A 40 28.532 5.684 -6.871 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.871 6.121 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.010 6.849 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 40 31.715 5.484 -9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 40 31.755 3.765 -9.098 1.00 0.00 H new ATOM 506 N CYS A 41 26.801 8.106 -8.035 1.00 0.00 N ATOM 507 CA CYS A 41 26.440 9.493 -7.837 1.00 0.00 C ATOM 508 C CYS A 41 25.972 9.743 -6.417 1.00 0.00 C ATOM 509 O CYS A 41 25.493 8.834 -5.734 1.00 0.00 O ATOM 510 CB CYS A 41 25.396 9.929 -8.849 1.00 0.00 C ATOM 511 SG CYS A 41 26.017 9.919 -10.545 1.00 0.00 S ATOM 0 H CYS A 41 26.132 7.565 -8.583 1.00 0.00 H new ATOM 0 HA CYS A 41 27.332 10.098 -7.996 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.532 9.269 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.051 10.932 -8.599 1.00 0.00 H new ATOM 516 N THR A 42 26.117 10.971 -5.979 1.00 0.00 N ATOM 517 CA THR A 42 25.809 11.339 -4.620 1.00 0.00 C ATOM 518 C THR A 42 24.646 12.322 -4.558 1.00 0.00 C ATOM 519 O THR A 42 24.029 12.640 -5.583 1.00 0.00 O ATOM 520 CB THR A 42 27.043 11.970 -3.963 1.00 0.00 C ATOM 521 OG1 THR A 42 27.516 13.053 -4.780 1.00 0.00 O ATOM 522 CG2 THR A 42 28.149 10.941 -3.810 1.00 0.00 C ATOM 0 H THR A 42 26.452 11.743 -6.556 1.00 0.00 H new ATOM 0 HA THR A 42 25.521 10.434 -4.085 1.00 0.00 H new ATOM 0 HB THR A 42 26.764 12.339 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.534 13.878 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.017 11.406 -3.342 1.00 0.00 H new ATOM 0 HG22 THR A 42 27.798 10.119 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.428 10.558 -4.792 1.00 0.00 H new ATOM 530 N SER A 43 24.376 12.819 -3.357 1.00 0.00 N ATOM 531 CA SER A 43 23.287 13.754 -3.113 1.00 0.00 C ATOM 532 C SER A 43 23.591 15.140 -3.697 1.00 0.00 C ATOM 533 O SER A 43 22.736 16.028 -3.682 1.00 0.00 O ATOM 534 CB SER A 43 23.039 13.860 -1.610 1.00 0.00 C ATOM 535 OG SER A 43 22.846 12.572 -1.035 1.00 0.00 O ATOM 0 H SER A 43 24.910 12.583 -2.521 1.00 0.00 H new ATOM 0 HA SER A 43 22.393 13.377 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.885 14.353 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.162 14.480 -1.425 1.00 0.00 H new ATOM 0 HG SER A 43 22.691 12.664 -0.072 1.00 0.00 H new ATOM 541 N ASP A 44 24.809 15.316 -4.208 1.00 0.00 N ATOM 542 CA ASP A 44 25.217 16.585 -4.814 1.00 0.00 C ATOM 543 C ASP A 44 24.326 16.931 -5.992 1.00 0.00 C ATOM 544 O ASP A 44 23.982 18.095 -6.209 1.00 0.00 O ATOM 545 CB ASP A 44 26.672 16.526 -5.274 1.00 0.00 C ATOM 546 CG ASP A 44 27.647 16.454 -4.128 1.00 0.00 C ATOM 547 OD1 ASP A 44 27.922 15.336 -3.643 1.00 0.00 O ATOM 548 OD2 ASP A 44 28.158 17.512 -3.714 1.00 0.00 O ATOM 0 H ASP A 44 25.531 14.596 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 44 25.118 17.360 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.810 15.656 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.893 17.406 -5.878 1.00 0.00 H new ATOM 553 N GLY A 45 23.948 15.920 -6.751 1.00 0.00 N ATOM 554 CA GLY A 45 23.075 16.150 -7.877 1.00 0.00 C ATOM 555 C GLY A 45 23.597 15.544 -9.153 1.00 0.00 C ATOM 556 O GLY A 45 23.774 16.250 -10.147 1.00 0.00 O ATOM 0 H GLY A 45 24.228 14.949 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.091 15.735 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.944 17.223 -8.017 1.00 0.00 H new ATOM 560 N CYS A 46 23.845 14.232 -9.117 1.00 0.00 N ATOM 561 CA CYS A 46 24.327 13.473 -10.274 1.00 0.00 C ATOM 562 C CYS A 46 25.790 13.781 -10.604 1.00 0.00 C ATOM 563 O CYS A 46 26.251 14.919 -10.484 1.00 0.00 O ATOM 564 CB CYS A 46 23.435 13.710 -11.498 1.00 0.00 C ATOM 565 SG CYS A 46 23.868 12.711 -12.934 1.00 0.00 S ATOM 0 H CYS A 46 23.716 13.664 -8.280 1.00 0.00 H new ATOM 0 HA CYS A 46 24.273 12.419 -10.003 1.00 0.00 H new ATOM 0 HB2 CYS A 46 22.400 13.503 -11.225 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.488 14.763 -11.773 1.00 0.00 H new ATOM 570 N LYS A 47 26.516 12.753 -11.001 1.00 0.00 N ATOM 571 CA LYS A 47 27.918 12.882 -11.357 1.00 0.00 C ATOM 572 C LYS A 47 28.163 12.392 -12.784 1.00 0.00 C ATOM 573 O LYS A 47 28.918 13.005 -13.540 1.00 0.00 O ATOM 574 CB LYS A 47 28.802 12.090 -10.379 1.00 0.00 C ATOM 575 CG LYS A 47 28.682 12.521 -8.920 1.00 0.00 C ATOM 576 CD LYS A 47 29.178 13.943 -8.710 1.00 0.00 C ATOM 577 CE LYS A 47 29.106 14.352 -7.244 1.00 0.00 C ATOM 578 NZ LYS A 47 30.031 13.562 -6.391 1.00 0.00 N ATOM 0 H LYS A 47 26.151 11.804 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 47 28.181 13.938 -11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.547 11.033 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.842 12.189 -10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.641 12.448 -8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 29.255 11.839 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 47 30.207 14.026 -9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 47 28.580 14.630 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.347 15.411 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.085 14.225 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.484 13.039 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 30.561 12.890 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 30.697 14.203 -5.915 1.00 0.00 H new ATOM 592 N CYS A 48 27.513 11.291 -13.154 1.00 0.00 N ATOM 593 CA CYS A 48 27.701 10.706 -14.481 1.00 0.00 C ATOM 594 C CYS A 48 27.027 11.562 -15.555 1.00 0.00 C ATOM 595 O CYS A 48 27.565 11.740 -16.648 1.00 0.00 O ATOM 596 CB CYS A 48 27.163 9.271 -14.525 1.00 0.00 C ATOM 597 SG CYS A 48 25.365 9.146 -14.627 1.00 0.00 S ATOM 0 H CYS A 48 26.855 10.788 -12.558 1.00 0.00 H new ATOM 0 HA CYS A 48 28.771 10.679 -14.687 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.599 8.760 -15.383 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.501 8.743 -13.634 1.00 0.00 H new ATOM 602 N GLY A 49 25.860 12.108 -15.229 1.00 0.00 N ATOM 603 CA GLY A 49 25.151 12.946 -16.170 1.00 0.00 C ATOM 604 C GLY A 49 23.745 12.452 -16.468 1.00 0.00 C ATOM 605 O GLY A 49 23.023 13.071 -17.245 1.00 0.00 O ATOM 0 H GLY A 49 25.395 11.983 -14.330 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.097 13.960 -15.775 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.717 12.996 -17.100 1.00 0.00 H new ATOM 609 N LYS A 50 23.346 11.347 -15.843 1.00 0.00 N ATOM 610 CA LYS A 50 22.017 10.774 -16.073 1.00 0.00 C ATOM 611 C LYS A 50 20.995 11.284 -15.062 1.00 0.00 C ATOM 612 O LYS A 50 19.905 10.717 -14.919 1.00 0.00 O ATOM 613 CB LYS A 50 22.073 9.249 -16.066 1.00 0.00 C ATOM 614 CG LYS A 50 22.790 8.652 -17.269 1.00 0.00 C ATOM 615 CD LYS A 50 22.082 9.011 -18.567 1.00 0.00 C ATOM 616 CE LYS A 50 22.772 8.397 -19.769 1.00 0.00 C ATOM 617 NZ LYS A 50 22.098 8.767 -21.038 1.00 0.00 N ATOM 0 H LYS A 50 23.919 10.830 -15.176 1.00 0.00 H new ATOM 0 HA LYS A 50 21.690 11.102 -17.060 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.573 8.918 -15.156 1.00 0.00 H new ATOM 0 HB3 LYS A 50 21.056 8.858 -16.031 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.817 9.015 -17.300 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.838 7.568 -17.166 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.049 8.667 -18.525 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.053 10.095 -18.678 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.811 8.726 -19.799 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.784 7.312 -19.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.598 8.329 -21.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.114 8.431 -21.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.109 9.801 -21.148 1.00 0.00 H new ATOM 631 N GLU A 51 21.365 12.350 -14.362 1.00 0.00 N ATOM 632 CA GLU A 51 20.482 13.048 -13.421 1.00 0.00 C ATOM 633 C GLU A 51 20.001 12.142 -12.280 1.00 0.00 C ATOM 634 O GLU A 51 18.871 12.268 -11.811 1.00 0.00 O ATOM 635 CB GLU A 51 19.297 13.647 -14.177 1.00 0.00 C ATOM 636 CG GLU A 51 19.719 14.558 -15.318 1.00 0.00 C ATOM 637 CD GLU A 51 18.557 15.051 -16.133 1.00 0.00 C ATOM 638 OE1 GLU A 51 18.181 14.372 -17.109 1.00 0.00 O ATOM 639 OE2 GLU A 51 18.018 16.126 -15.811 1.00 0.00 O ATOM 0 H GLU A 51 22.296 12.762 -14.429 1.00 0.00 H new ATOM 0 HA GLU A 51 21.059 13.847 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.680 12.840 -14.573 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.676 14.210 -13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.261 15.413 -14.913 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.410 14.022 -15.968 1.00 0.00 H new ATOM 646 N CYS A 52 20.863 11.262 -11.825 1.00 0.00 N ATOM 647 CA CYS A 52 20.525 10.346 -10.748 1.00 0.00 C ATOM 648 C CYS A 52 21.300 10.679 -9.478 1.00 0.00 C ATOM 649 O CYS A 52 22.401 11.228 -9.535 1.00 0.00 O ATOM 650 CB CYS A 52 20.822 8.928 -11.184 1.00 0.00 C ATOM 651 SG CYS A 52 22.408 8.760 -12.009 1.00 0.00 S ATOM 0 H CYS A 52 21.812 11.157 -12.184 1.00 0.00 H new ATOM 0 HA CYS A 52 19.463 10.447 -10.526 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.802 8.275 -10.312 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.033 8.588 -11.855 1.00 0.00 H new ATOM 656 N THR A 53 20.719 10.361 -8.335 1.00 0.00 N ATOM 657 CA THR A 53 21.360 10.617 -7.057 1.00 0.00 C ATOM 658 C THR A 53 21.177 9.429 -6.106 1.00 0.00 C ATOM 659 O THR A 53 20.321 9.454 -5.217 1.00 0.00 O ATOM 660 CB THR A 53 20.800 11.895 -6.387 1.00 0.00 C ATOM 661 OG1 THR A 53 19.365 11.830 -6.330 1.00 0.00 O ATOM 662 CG2 THR A 53 21.214 13.146 -7.144 1.00 0.00 C ATOM 0 H THR A 53 19.800 9.923 -8.266 1.00 0.00 H new ATOM 0 HA THR A 53 22.422 10.762 -7.257 1.00 0.00 H new ATOM 0 HB THR A 53 21.212 11.949 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.092 10.981 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 53 20.804 14.025 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.302 13.215 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.834 13.096 -8.164 1.00 0.00 H new ATOM 670 N GLY A 54 21.954 8.385 -6.313 1.00 0.00 N ATOM 671 CA GLY A 54 21.856 7.222 -5.458 1.00 0.00 C ATOM 672 C GLY A 54 21.028 6.115 -6.086 1.00 0.00 C ATOM 673 O GLY A 54 20.189 6.387 -6.938 1.00 0.00 O ATOM 0 H GLY A 54 22.651 8.318 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.856 6.847 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.411 7.510 -4.506 1.00 0.00 H new ATOM 677 N PRO A 55 21.261 4.852 -5.673 1.00 0.00 N ATOM 678 CA PRO A 55 20.572 3.662 -6.216 1.00 0.00 C ATOM 679 C PRO A 55 19.059 3.831 -6.414 1.00 0.00 C ATOM 680 O PRO A 55 18.542 3.563 -7.501 1.00 0.00 O ATOM 681 CB PRO A 55 20.848 2.593 -5.164 1.00 0.00 C ATOM 682 CG PRO A 55 22.158 2.977 -4.564 1.00 0.00 C ATOM 683 CD PRO A 55 22.244 4.481 -4.633 1.00 0.00 C ATOM 0 HA PRO A 55 20.937 3.431 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.061 2.567 -4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.894 1.600 -5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.226 2.633 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.983 2.517 -5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.001 4.938 -3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.248 4.811 -4.898 1.00 0.00 H new ATOM 691 N ASP A 56 18.360 4.276 -5.374 1.00 0.00 N ATOM 692 CA ASP A 56 16.898 4.424 -5.440 1.00 0.00 C ATOM 693 C ASP A 56 16.486 5.439 -6.496 1.00 0.00 C ATOM 694 O ASP A 56 15.477 5.269 -7.179 1.00 0.00 O ATOM 695 CB ASP A 56 16.325 4.832 -4.079 1.00 0.00 C ATOM 696 CG ASP A 56 14.829 5.094 -4.132 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.433 6.264 -4.313 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.040 4.130 -3.996 1.00 0.00 O ATOM 0 H ASP A 56 18.772 4.540 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 56 16.491 3.452 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.527 4.045 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.835 5.729 -3.728 1.00 0.00 H new ATOM 703 N SER A 57 17.278 6.478 -6.644 1.00 0.00 N ATOM 704 CA SER A 57 16.977 7.529 -7.594 1.00 0.00 C ATOM 705 C SER A 57 17.771 7.351 -8.882 1.00 0.00 C ATOM 706 O SER A 57 17.943 8.296 -9.655 1.00 0.00 O ATOM 707 CB SER A 57 17.276 8.887 -6.973 1.00 0.00 C ATOM 708 OG SER A 57 16.519 9.072 -5.788 1.00 0.00 O ATOM 0 H SER A 57 18.140 6.619 -6.116 1.00 0.00 H new ATOM 0 HA SER A 57 15.918 7.473 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.340 8.963 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.044 9.678 -7.686 1.00 0.00 H new ATOM 0 HG SER A 57 16.725 9.949 -5.402 1.00 0.00 H new ATOM 714 N CYS A 58 18.253 6.146 -9.115 1.00 0.00 N ATOM 715 CA CYS A 58 19.006 5.866 -10.308 1.00 0.00 C ATOM 716 C CYS A 58 18.163 5.103 -11.318 1.00 0.00 C ATOM 717 O CYS A 58 17.539 4.085 -10.992 1.00 0.00 O ATOM 718 CB CYS A 58 20.265 5.085 -9.976 1.00 0.00 C ATOM 719 SG CYS A 58 21.272 4.700 -11.414 1.00 0.00 S ATOM 0 H CYS A 58 18.133 5.349 -8.490 1.00 0.00 H new ATOM 0 HA CYS A 58 19.294 6.818 -10.753 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.862 5.659 -9.267 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.986 4.156 -9.479 1.00 0.00 H new ATOM 724 N LYS A 59 18.149 5.593 -12.540 1.00 0.00 N ATOM 725 CA LYS A 59 17.395 4.972 -13.610 1.00 0.00 C ATOM 726 C LYS A 59 18.358 4.333 -14.622 1.00 0.00 C ATOM 727 O LYS A 59 17.947 3.799 -15.650 1.00 0.00 O ATOM 728 CB LYS A 59 16.512 6.034 -14.288 1.00 0.00 C ATOM 729 CG LYS A 59 15.508 5.483 -15.283 1.00 0.00 C ATOM 730 CD LYS A 59 14.735 6.599 -15.960 1.00 0.00 C ATOM 731 CE LYS A 59 13.740 6.050 -16.967 1.00 0.00 C ATOM 732 NZ LYS A 59 12.995 7.132 -17.653 1.00 0.00 N ATOM 0 H LYS A 59 18.659 6.431 -12.820 1.00 0.00 H new ATOM 0 HA LYS A 59 16.755 4.187 -13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.974 6.585 -13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.156 6.749 -14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.027 4.889 -16.035 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.815 4.815 -14.772 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.208 7.187 -15.208 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.430 7.273 -16.462 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.267 5.447 -17.706 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.037 5.390 -16.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.326 6.716 -18.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.472 7.693 -16.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.664 7.748 -18.158 1.00 0.00 H new ATOM 746 N CYS A 60 19.642 4.382 -14.301 1.00 0.00 N ATOM 747 CA CYS A 60 20.678 3.857 -15.179 1.00 0.00 C ATOM 748 C CYS A 60 20.830 2.347 -15.019 1.00 0.00 C ATOM 749 O CYS A 60 20.483 1.778 -13.972 1.00 0.00 O ATOM 750 CB CYS A 60 22.007 4.535 -14.868 1.00 0.00 C ATOM 751 SG CYS A 60 21.876 6.307 -14.579 1.00 0.00 S ATOM 0 H CYS A 60 19.994 4.783 -13.432 1.00 0.00 H new ATOM 0 HA CYS A 60 20.385 4.065 -16.208 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.445 4.065 -13.988 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.694 4.362 -15.697 1.00 0.00 H new ATOM 756 N GLY A 61 21.362 1.707 -16.054 1.00 0.00 N ATOM 757 CA GLY A 61 21.584 0.277 -16.021 1.00 0.00 C ATOM 758 C GLY A 61 22.887 -0.079 -15.339 1.00 0.00 C ATOM 759 O GLY A 61 23.620 0.805 -14.886 1.00 0.00 O ATOM 0 H GLY A 61 21.645 2.160 -16.923 1.00 0.00 H new ATOM 0 HA2 GLY A 61 20.758 -0.206 -15.499 1.00 0.00 H new ATOM 0 HA3 GLY A 61 21.589 -0.113 -17.039 1.00 0.00 H new ATOM 763 N SER A 62 23.192 -1.365 -15.283 1.00 0.00 N ATOM 764 CA SER A 62 24.392 -1.850 -14.614 1.00 0.00 C ATOM 765 C SER A 62 25.641 -1.683 -15.486 1.00 0.00 C ATOM 766 O SER A 62 26.759 -1.911 -15.030 1.00 0.00 O ATOM 767 CB SER A 62 24.206 -3.318 -14.228 1.00 0.00 C ATOM 768 OG SER A 62 23.723 -4.069 -15.331 1.00 0.00 O ATOM 0 H SER A 62 22.619 -2.100 -15.697 1.00 0.00 H new ATOM 0 HA SER A 62 24.543 -1.250 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 62 25.155 -3.733 -13.887 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.507 -3.395 -13.395 1.00 0.00 H new ATOM 0 HG SER A 62 23.006 -4.666 -15.031 1.00 0.00 H new ATOM 774 N SER A 63 25.448 -1.277 -16.727 1.00 0.00 N ATOM 775 CA SER A 63 26.559 -1.101 -17.648 1.00 0.00 C ATOM 776 C SER A 63 26.940 0.378 -17.770 1.00 0.00 C ATOM 777 O SER A 63 27.740 0.755 -18.630 1.00 0.00 O ATOM 778 CB SER A 63 26.186 -1.667 -19.022 1.00 0.00 C ATOM 779 OG SER A 63 25.696 -3.001 -18.910 1.00 0.00 O ATOM 0 H SER A 63 24.532 -1.062 -17.122 1.00 0.00 H new ATOM 0 HA SER A 63 27.422 -1.641 -17.258 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.428 -1.035 -19.486 1.00 0.00 H new ATOM 0 HB3 SER A 63 27.058 -1.650 -19.675 1.00 0.00 H new ATOM 0 HG SER A 63 25.463 -3.340 -19.800 1.00 0.00 H new ATOM 785 N CYS A 64 26.382 1.205 -16.896 1.00 0.00 N ATOM 786 CA CYS A 64 26.626 2.639 -16.942 1.00 0.00 C ATOM 787 C CYS A 64 27.918 3.020 -16.199 1.00 0.00 C ATOM 788 O CYS A 64 28.454 2.233 -15.413 1.00 0.00 O ATOM 789 CB CYS A 64 25.435 3.395 -16.365 1.00 0.00 C ATOM 790 SG CYS A 64 25.504 5.178 -16.625 1.00 0.00 S ATOM 0 H CYS A 64 25.757 0.907 -16.147 1.00 0.00 H new ATOM 0 HA CYS A 64 26.754 2.922 -17.987 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.520 3.008 -16.813 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.375 3.196 -15.295 1.00 0.00 H new ATOM 795 N SER A 65 28.390 4.239 -16.445 1.00 0.00 N ATOM 796 CA SER A 65 29.634 4.749 -15.872 1.00 0.00 C ATOM 797 C SER A 65 29.562 4.868 -14.342 1.00 0.00 C ATOM 798 O SER A 65 30.555 4.653 -13.647 1.00 0.00 O ATOM 799 CB SER A 65 29.947 6.112 -16.485 1.00 0.00 C ATOM 800 OG SER A 65 29.779 6.077 -17.897 1.00 0.00 O ATOM 0 H SER A 65 27.916 4.907 -17.053 1.00 0.00 H new ATOM 0 HA SER A 65 30.427 4.038 -16.104 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.292 6.869 -16.054 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.970 6.400 -16.242 1.00 0.00 H new ATOM 0 HG SER A 65 29.982 6.959 -18.273 1.00 0.00 H new ATOM 806 N CYS A 66 28.387 5.201 -13.824 1.00 0.00 N ATOM 807 CA CYS A 66 28.201 5.359 -12.380 1.00 0.00 C ATOM 808 C CYS A 66 27.974 3.999 -11.701 1.00 0.00 C ATOM 809 O CYS A 66 27.437 3.925 -10.593 1.00 0.00 O ATOM 810 CB CYS A 66 27.011 6.263 -12.116 1.00 0.00 C ATOM 811 SG CYS A 66 25.439 5.502 -12.524 1.00 0.00 S ATOM 0 H CYS A 66 27.547 5.368 -14.378 1.00 0.00 H new ATOM 0 HA CYS A 66 29.105 5.805 -11.964 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.007 6.549 -11.064 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.124 7.180 -12.695 1.00 0.00 H new ATOM 816 N LYS A 67 28.376 2.934 -12.369 1.00 0.00 N ATOM 817 CA LYS A 67 28.219 1.590 -11.833 1.00 0.00 C ATOM 818 C LYS A 67 29.576 0.929 -11.649 1.00 0.00 C ATOM 819 O LYS A 67 30.311 1.342 -10.709 1.00 0.00 O ATOM 820 CB LYS A 67 27.347 0.749 -12.766 1.00 0.00 C ATOM 821 CG LYS A 67 25.948 1.309 -12.980 1.00 0.00 C ATOM 822 CD LYS A 67 25.115 1.235 -11.711 1.00 0.00 C ATOM 823 CE LYS A 67 23.706 1.779 -11.925 1.00 0.00 C ATOM 824 NZ LYS A 67 23.703 3.239 -12.197 1.00 0.00 N ATOM 0 H LYS A 67 28.816 2.972 -13.288 1.00 0.00 H new ATOM 0 HA LYS A 67 27.731 1.659 -10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.844 0.664 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.265 -0.259 -12.359 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.017 2.345 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.451 0.753 -13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.058 0.200 -11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.607 1.801 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.239 1.255 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.101 1.575 -11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.762 3.629 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.414 3.705 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.931 3.406 -13.198 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 17.083 -7.308 -10.682 1.00 0.00 CD HETATM 840 CD CD A 102 18.782 -7.802 -6.828 1.00 0.00 CD HETATM 841 CD CD A 103 20.962 -8.181 -10.007 1.00 0.00 CD HETATM 842 CD CD A 104 23.284 6.390 -11.158 1.00 0.00 CD HETATM 843 CD CD A 105 24.541 6.546 -14.576 1.00 0.00 CD HETATM 844 CD CD A 106 24.439 10.117 -12.547 1.00 0.00 CD