USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 474 hydrogens (9 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 1 LYS N :NH3+ -161:sc= -0.203 (180deg=-1.12) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 1 LYS N :NH3+ -158:sc= -0.255 (180deg=-1.23) USER MOD Set 3.1: A 1 LYS N :NH3+ -156:sc= -0.289 (180deg=-1.13) USER MOD Set 3.2: C 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ 154:sc= -0.111 (180deg=-0.76) USER MOD Single : A 2 ASN :FLIP amide:sc= -2.33 F(o=-5.4!,f=-2.3) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -108:sc= 0.953 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS NZ :NH3+ 133:sc= -0.1 (180deg=-0.852) USER MOD Single : B 2 ASN :FLIP amide:sc= -2.18 F(o=-5!,f=-2.2) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot -86:sc= 1.03 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS NZ :NH3+ 154:sc= -0.172 (180deg=-0.88) USER MOD Single : C 2 ASN :FLIP amide:sc= -2.31 F(o=-5.4!,f=-2.3) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 SER OG : rot -96:sc= 1.03 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.770 5.134 15.890 1.00 0.00 N ATOM 2 CA LYS A 1 -7.686 6.208 15.533 1.00 0.00 C ATOM 3 C LYS A 1 -6.940 7.292 14.779 1.00 0.00 C ATOM 4 O LYS A 1 -7.462 8.390 14.559 1.00 0.00 O ATOM 5 CB LYS A 1 -8.312 6.803 16.800 1.00 0.00 C ATOM 6 CG LYS A 1 -8.912 5.691 17.670 1.00 0.00 C ATOM 7 CD LYS A 1 -10.099 5.043 16.952 1.00 0.00 C ATOM 8 CE LYS A 1 -10.795 4.070 17.894 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.390 4.826 19.028 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.305 4.252 16.025 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.474 5.804 14.898 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.557 7.349 17.365 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.087 7.520 16.529 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.153 4.939 17.886 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.236 6.102 18.626 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.800 5.810 16.622 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.756 4.519 16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.571 3.521 17.360 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.083 3.334 18.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.197 4.296 19.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.675 4.956 19.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.715 5.756 18.693 1.00 0.00 H new ATOM 23 N ASN A 2 -5.707 6.982 14.412 1.00 0.00 N ATOM 24 CA ASN A 2 -4.881 7.942 13.717 1.00 0.00 C ATOM 25 C ASN A 2 -5.517 8.319 12.361 1.00 0.00 C ATOM 26 O ASN A 2 -5.990 7.444 11.630 1.00 0.00 O ATOM 27 CB ASN A 2 -3.468 7.395 13.485 1.00 0.00 C ATOM 28 CG ASN A 2 -2.492 8.549 13.230 1.00 0.00 C ATOM 29 OD1 ASN A 2 -1.762 8.556 12.150 1.00 0.00 O flip ATOM 30 ND2 ASN A 2 -2.382 9.467 14.048 1.00 0.00 N flip ATOM 0 H ASN A 2 -5.264 6.080 14.584 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.810 8.831 14.344 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.145 6.820 14.353 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.468 6.714 12.634 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.951 9.466 14.895 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.722 10.226 13.877 1.00 0.00 H new ATOM 37 N PRO A 3 -5.521 9.582 11.990 1.00 0.00 N ATOM 38 CA PRO A 3 -6.094 10.038 10.682 1.00 0.00 C ATOM 39 C PRO A 3 -5.465 9.306 9.489 1.00 0.00 C ATOM 40 O PRO A 3 -6.063 9.218 8.415 1.00 0.00 O ATOM 41 CB PRO A 3 -5.742 11.540 10.637 1.00 0.00 C ATOM 42 CG PRO A 3 -5.556 11.943 12.062 1.00 0.00 C ATOM 43 CD PRO A 3 -5.008 10.720 12.777 1.00 0.00 C ATOM 0 HA PRO A 3 -7.163 9.837 10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.836 11.714 10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.538 12.117 10.166 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.866 12.783 12.143 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.500 12.262 12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.918 10.728 12.802 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.350 10.676 13.811 1.00 0.00 H new ATOM 51 N GLU A 4 -4.255 8.794 9.683 1.00 0.00 N ATOM 52 CA GLU A 4 -3.553 8.085 8.617 1.00 0.00 C ATOM 53 C GLU A 4 -4.330 6.842 8.198 1.00 0.00 C ATOM 54 O GLU A 4 -4.067 6.263 7.146 1.00 0.00 O ATOM 55 CB GLU A 4 -2.158 7.675 9.083 1.00 0.00 C ATOM 56 CG GLU A 4 -1.297 8.928 9.278 1.00 0.00 C ATOM 57 CD GLU A 4 0.075 8.541 9.816 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.889 9.431 10.004 1.00 0.00 O ATOM 59 OE2 GLU A 4 0.295 7.360 10.028 1.00 0.00 O ATOM 0 H GLU A 4 -3.741 8.855 10.562 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.467 8.757 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.224 7.117 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.697 7.014 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.189 9.456 8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.788 9.612 9.970 1.00 0.00 H new ATOM 66 N ALA A 5 -5.287 6.442 9.028 1.00 0.00 N ATOM 67 CA ALA A 5 -6.102 5.266 8.738 1.00 0.00 C ATOM 68 C ALA A 5 -6.826 5.439 7.404 1.00 0.00 C ATOM 69 O ALA A 5 -7.159 4.461 6.728 1.00 0.00 O ATOM 70 CB ALA A 5 -7.127 5.051 9.855 1.00 0.00 C ATOM 0 H ALA A 5 -5.518 6.912 9.904 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.448 4.396 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.731 4.172 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.608 4.903 10.802 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.773 5.926 9.929 1.00 0.00 H new ATOM 76 N GLU A 6 -7.071 6.688 7.029 1.00 0.00 N ATOM 77 CA GLU A 6 -7.758 6.975 5.775 1.00 0.00 C ATOM 78 C GLU A 6 -6.953 6.445 4.589 1.00 0.00 C ATOM 79 O GLU A 6 -7.516 5.951 3.613 1.00 0.00 O ATOM 80 CB GLU A 6 -7.956 8.484 5.618 1.00 0.00 C ATOM 81 CG GLU A 6 -8.971 8.976 6.651 1.00 0.00 C ATOM 82 CD GLU A 6 -9.148 10.486 6.531 1.00 0.00 C ATOM 83 OE1 GLU A 6 -8.455 11.083 5.724 1.00 0.00 O ATOM 84 OE2 GLU A 6 -9.980 11.023 7.244 1.00 0.00 O ATOM 0 H GLU A 6 -6.807 7.512 7.569 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.729 6.480 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.006 9.002 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.306 8.713 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.928 8.476 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.633 8.720 7.655 1.00 0.00 H new ATOM 91 N GLU A 7 -5.633 6.558 4.676 1.00 0.00 N ATOM 92 CA GLU A 7 -4.768 6.093 3.597 1.00 0.00 C ATOM 93 C GLU A 7 -4.925 4.586 3.400 1.00 0.00 C ATOM 94 O GLU A 7 -4.933 4.093 2.273 1.00 0.00 O ATOM 95 CB GLU A 7 -3.306 6.418 3.921 1.00 0.00 C ATOM 96 CG GLU A 7 -2.437 6.157 2.688 1.00 0.00 C ATOM 97 CD GLU A 7 -2.787 7.155 1.581 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.585 6.813 0.716 1.00 0.00 O ATOM 99 OE2 GLU A 7 -2.252 8.252 1.614 1.00 0.00 O ATOM 0 H GLU A 7 -5.142 6.963 5.473 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.057 6.602 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.214 7.459 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.963 5.807 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.383 6.247 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.592 5.138 2.333 1.00 0.00 H new ATOM 106 N ILE A 8 -5.057 3.864 4.503 1.00 0.00 N ATOM 107 CA ILE A 8 -5.223 2.417 4.446 1.00 0.00 C ATOM 108 C ILE A 8 -6.518 2.071 3.709 1.00 0.00 C ATOM 109 O ILE A 8 -6.564 1.133 2.915 1.00 0.00 O ATOM 110 CB ILE A 8 -5.248 1.829 5.868 1.00 0.00 C ATOM 111 CG1 ILE A 8 -3.816 1.776 6.419 1.00 0.00 C ATOM 112 CG2 ILE A 8 -5.838 0.409 5.831 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.203 3.182 6.416 1.00 0.00 C ATOM 0 H ILE A 8 -5.053 4.254 5.446 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.381 1.985 3.905 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.865 2.457 6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.822 1.374 7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.209 1.104 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.854 -0.005 6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.854 0.447 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.224 -0.223 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.187 3.137 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.182 3.567 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.804 3.842 7.041 1.00 0.00 H new ATOM 125 N THR A 9 -7.566 2.831 3.986 1.00 0.00 N ATOM 126 CA THR A 9 -8.854 2.586 3.351 1.00 0.00 C ATOM 127 C THR A 9 -8.715 2.705 1.836 1.00 0.00 C ATOM 128 O THR A 9 -9.264 1.897 1.086 1.00 0.00 O ATOM 129 CB THR A 9 -9.888 3.594 3.859 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.058 3.431 5.259 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.222 3.362 3.149 1.00 0.00 C ATOM 0 H THR A 9 -7.553 3.615 4.639 1.00 0.00 H new ATOM 0 HA THR A 9 -9.188 1.579 3.601 1.00 0.00 H new ATOM 0 HB THR A 9 -9.541 4.606 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.719 4.077 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.957 4.080 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.089 3.490 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.572 2.350 3.354 1.00 0.00 H new ATOM 139 N ARG A 10 -7.963 3.705 1.393 1.00 0.00 N ATOM 140 CA ARG A 10 -7.740 3.905 -0.036 1.00 0.00 C ATOM 141 C ARG A 10 -7.011 2.707 -0.634 1.00 0.00 C ATOM 142 O ARG A 10 -7.324 2.265 -1.738 1.00 0.00 O ATOM 143 CB ARG A 10 -6.910 5.169 -0.252 1.00 0.00 C ATOM 144 CG ARG A 10 -7.764 6.402 0.030 1.00 0.00 C ATOM 145 CD ARG A 10 -6.864 7.635 0.109 1.00 0.00 C ATOM 146 NE ARG A 10 -6.046 7.746 -1.093 1.00 0.00 N ATOM 147 CZ ARG A 10 -6.507 8.330 -2.195 1.00 0.00 C ATOM 148 NH1 ARG A 10 -5.750 8.413 -3.254 1.00 0.00 N ATOM 149 NH2 ARG A 10 -7.715 8.823 -2.217 1.00 0.00 N ATOM 0 H ARG A 10 -7.500 4.386 1.996 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.706 4.011 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.040 5.160 0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.537 5.200 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.508 6.531 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.308 6.275 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.474 8.531 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.223 7.569 0.988 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.099 7.367 -1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.805 8.030 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.103 8.861 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.306 8.761 -1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.068 9.271 -3.063 1.00 0.00 H new ATOM 163 N CYS A 11 -6.043 2.179 0.106 1.00 0.00 N ATOM 164 CA CYS A 11 -5.286 1.026 -0.364 1.00 0.00 C ATOM 165 C CYS A 11 -6.219 -0.155 -0.617 1.00 0.00 C ATOM 166 O CYS A 11 -6.078 -0.866 -1.609 1.00 0.00 O ATOM 167 CB CYS A 11 -4.231 0.639 0.669 1.00 0.00 C ATOM 168 SG CYS A 11 -2.815 1.751 0.529 1.00 0.00 S ATOM 0 H CYS A 11 -5.766 2.527 1.024 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.793 1.291 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.652 0.694 1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.914 -0.392 0.512 1.00 0.00 H new ATOM 173 N LYS A 12 -7.171 -0.361 0.285 1.00 0.00 N ATOM 174 CA LYS A 12 -8.108 -1.468 0.140 1.00 0.00 C ATOM 175 C LYS A 12 -8.886 -1.329 -1.165 1.00 0.00 C ATOM 176 O LYS A 12 -9.027 -2.290 -1.922 1.00 0.00 O ATOM 177 CB LYS A 12 -9.080 -1.479 1.324 1.00 0.00 C ATOM 178 CG LYS A 12 -10.016 -2.684 1.211 1.00 0.00 C ATOM 179 CD LYS A 12 -10.948 -2.723 2.422 1.00 0.00 C ATOM 180 CE LYS A 12 -11.874 -3.936 2.311 1.00 0.00 C ATOM 181 NZ LYS A 12 -12.782 -3.976 3.492 1.00 0.00 N ATOM 0 H LYS A 12 -7.314 0.216 1.114 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.551 -2.405 0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.526 -1.523 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.660 -0.556 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.599 -2.620 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.435 -3.605 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.365 -2.779 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.536 -1.806 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.457 -3.879 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.286 -4.852 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.412 -4.800 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.217 -4.049 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.352 -3.106 3.522 1.00 0.00 H new ATOM 195 N LYS A 13 -9.372 -0.123 -1.431 1.00 0.00 N ATOM 196 CA LYS A 13 -10.116 0.141 -2.657 1.00 0.00 C ATOM 197 C LYS A 13 -9.218 -0.052 -3.876 1.00 0.00 C ATOM 198 O LYS A 13 -9.647 -0.576 -4.902 1.00 0.00 O ATOM 199 CB LYS A 13 -10.680 1.561 -2.643 1.00 0.00 C ATOM 200 CG LYS A 13 -11.526 1.790 -3.901 1.00 0.00 C ATOM 201 CD LYS A 13 -12.126 3.194 -3.862 1.00 0.00 C ATOM 202 CE LYS A 13 -12.976 3.419 -5.111 1.00 0.00 C ATOM 203 NZ LYS A 13 -13.575 4.783 -5.065 1.00 0.00 N ATOM 0 H LYS A 13 -9.265 0.685 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.944 -0.565 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.288 1.713 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.867 2.286 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.911 1.670 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.320 1.045 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.736 3.316 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.332 3.939 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.363 3.309 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.762 2.667 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.154 4.937 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.173 4.871 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.817 5.494 -5.029 1.00 0.00 H new ATOM 217 N LEU A 14 -7.972 0.388 -3.757 1.00 0.00 N ATOM 218 CA LEU A 14 -7.026 0.275 -4.862 1.00 0.00 C ATOM 219 C LEU A 14 -6.785 -1.184 -5.220 1.00 0.00 C ATOM 220 O LEU A 14 -6.720 -1.538 -6.398 1.00 0.00 O ATOM 221 CB LEU A 14 -5.700 0.933 -4.456 1.00 0.00 C ATOM 222 CG LEU A 14 -5.829 2.470 -4.531 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.734 3.129 -3.674 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.666 2.941 -5.988 1.00 0.00 C ATOM 0 H LEU A 14 -7.594 0.823 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.441 0.778 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.430 0.631 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.900 0.594 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.813 2.755 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.830 4.213 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.841 2.809 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.753 2.832 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.758 4.026 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.685 2.645 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.440 2.486 -6.606 1.00 0.00 H new ATOM 236 N LEU A 15 -6.654 -2.024 -4.207 1.00 0.00 N ATOM 237 CA LEU A 15 -6.424 -3.442 -4.437 1.00 0.00 C ATOM 238 C LEU A 15 -7.615 -4.066 -5.154 1.00 0.00 C ATOM 239 O LEU A 15 -7.454 -4.878 -6.060 1.00 0.00 O ATOM 240 CB LEU A 15 -6.192 -4.148 -3.102 1.00 0.00 C ATOM 241 CG LEU A 15 -4.851 -3.693 -2.504 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.730 -4.215 -1.070 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.668 -4.214 -3.353 1.00 0.00 C ATOM 0 H LEU A 15 -6.702 -1.753 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.541 -3.558 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.005 -3.920 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.189 -5.228 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.819 -2.603 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.779 -3.893 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.549 -3.820 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.775 -5.304 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.729 -3.880 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.690 -5.303 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.750 -3.826 -4.368 1.00 0.00 H new ATOM 255 N ASP A 16 -8.813 -3.668 -4.746 1.00 0.00 N ATOM 256 CA ASP A 16 -10.031 -4.188 -5.358 1.00 0.00 C ATOM 257 C ASP A 16 -10.100 -3.797 -6.833 1.00 0.00 C ATOM 258 O ASP A 16 -10.552 -4.574 -7.674 1.00 0.00 O ATOM 259 CB ASP A 16 -11.259 -3.652 -4.620 1.00 0.00 C ATOM 260 CG ASP A 16 -11.371 -4.313 -3.250 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.689 -5.301 -3.030 1.00 0.00 O ATOM 262 OD2 ASP A 16 -12.138 -3.822 -2.438 1.00 0.00 O ATOM 0 H ASP A 16 -8.968 -2.991 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.016 -5.276 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.183 -2.571 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.159 -3.848 -5.203 1.00 0.00 H new ATOM 267 N ASP A 17 -9.650 -2.587 -7.131 1.00 0.00 N ATOM 268 CA ASP A 17 -9.663 -2.082 -8.498 1.00 0.00 C ATOM 269 C ASP A 17 -8.729 -2.904 -9.377 1.00 0.00 C ATOM 270 O ASP A 17 -8.720 -2.756 -10.599 1.00 0.00 O ATOM 271 CB ASP A 17 -9.243 -0.611 -8.529 1.00 0.00 C ATOM 272 CG ASP A 17 -10.337 0.257 -7.917 1.00 0.00 C ATOM 273 OD1 ASP A 17 -10.062 1.410 -7.631 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.436 -0.246 -7.742 1.00 0.00 O ATOM 0 H ASP A 17 -9.271 -1.935 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.679 -2.167 -8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.312 -0.479 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.053 -0.300 -9.556 1.00 0.00 H new ATOM 279 N SER A 18 -7.930 -3.757 -8.746 1.00 0.00 N ATOM 280 CA SER A 18 -6.983 -4.582 -9.481 1.00 0.00 C ATOM 281 C SER A 18 -7.700 -5.443 -10.503 1.00 0.00 C ATOM 282 O SER A 18 -7.160 -5.743 -11.568 1.00 0.00 O ATOM 283 CB SER A 18 -6.215 -5.479 -8.508 1.00 0.00 C ATOM 284 OG SER A 18 -7.122 -6.381 -7.887 1.00 0.00 O ATOM 0 H SER A 18 -7.920 -3.894 -7.735 1.00 0.00 H new ATOM 0 HA SER A 18 -6.288 -3.925 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.440 -6.032 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.714 -4.872 -7.754 1.00 0.00 H new ATOM 0 HG SER A 18 -7.247 -6.126 -6.949 1.00 0.00 H new ATOM 290 N SER A 19 -8.916 -5.830 -10.179 1.00 0.00 N ATOM 291 CA SER A 19 -9.716 -6.659 -11.089 1.00 0.00 C ATOM 292 C SER A 19 -10.429 -5.804 -12.127 1.00 0.00 C ATOM 293 O SER A 19 -10.870 -6.297 -13.164 1.00 0.00 O ATOM 294 CB SER A 19 -10.746 -7.468 -10.300 1.00 0.00 C ATOM 295 OG SER A 19 -10.074 -8.404 -9.468 1.00 0.00 O ATOM 0 H SER A 19 -9.379 -5.592 -9.302 1.00 0.00 H new ATOM 0 HA SER A 19 -9.037 -7.338 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.361 -6.802 -9.694 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.417 -7.988 -10.983 1.00 0.00 H new ATOM 0 HG SER A 19 -10.733 -8.922 -8.960 1.00 0.00 H new ATOM 301 N SER A 20 -10.522 -4.520 -11.840 1.00 0.00 N ATOM 302 CA SER A 20 -11.171 -3.573 -12.750 1.00 0.00 C ATOM 303 C SER A 20 -10.217 -3.154 -13.865 1.00 0.00 C ATOM 304 O SER A 20 -9.002 -3.129 -13.679 1.00 0.00 O ATOM 305 CB SER A 20 -11.648 -2.337 -11.989 1.00 0.00 C ATOM 306 OG SER A 20 -12.619 -1.654 -12.772 1.00 0.00 O ATOM 0 H SER A 20 -10.158 -4.100 -10.985 1.00 0.00 H new ATOM 0 HA SER A 20 -12.033 -4.071 -13.193 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.076 -2.628 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.806 -1.678 -11.776 1.00 0.00 H new ATOM 0 HG SER A 20 -12.930 -0.861 -12.288 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.774 -2.819 -15.020 1.00 0.00 N ATOM 314 CA LYS B 1 -9.964 -2.404 -16.157 1.00 0.00 C ATOM 315 C LYS B 1 -9.506 -0.970 -15.972 1.00 0.00 C ATOM 316 O LYS B 1 -8.990 -0.342 -16.902 1.00 0.00 O ATOM 317 CB LYS B 1 -10.784 -2.521 -17.447 1.00 0.00 C ATOM 318 CG LYS B 1 -11.424 -3.912 -17.548 1.00 0.00 C ATOM 319 CD LYS B 1 -10.340 -4.976 -17.736 1.00 0.00 C ATOM 320 CE LYS B 1 -10.995 -6.322 -18.030 1.00 0.00 C ATOM 321 NZ LYS B 1 -11.726 -6.238 -19.323 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.773 -3.857 -14.953 1.00 0.00 H new ATOM 0 HA LYS B 1 -9.090 -3.051 -16.225 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.559 -1.755 -17.464 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -10.143 -2.345 -18.311 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -11.999 -4.123 -16.646 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -12.122 -3.940 -18.385 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -9.678 -4.695 -18.555 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -9.725 -5.047 -16.839 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -10.239 -7.106 -18.076 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -11.682 -6.589 -17.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -11.496 -7.068 -19.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -12.750 -6.215 -19.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -11.444 -5.372 -19.826 1.00 0.00 H new ATOM 335 N ASN B 2 -9.726 -0.452 -14.773 1.00 0.00 N ATOM 336 CA ASN B 2 -9.365 0.918 -14.485 1.00 0.00 C ATOM 337 C ASN B 2 -7.842 1.116 -14.636 1.00 0.00 C ATOM 338 O ASN B 2 -7.059 0.278 -14.183 1.00 0.00 O ATOM 339 CB ASN B 2 -9.797 1.318 -13.069 1.00 0.00 C ATOM 340 CG ASN B 2 -9.877 2.845 -12.955 1.00 0.00 C ATOM 341 OD1 ASN B 2 -9.208 3.462 -12.020 1.00 0.00 O flip ATOM 342 ND2 ASN B 2 -10.579 3.494 -13.733 1.00 0.00 N flip ATOM 0 H ASN B 2 -10.149 -0.957 -13.994 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.885 1.556 -15.200 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -10.767 0.877 -12.838 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -9.087 0.928 -12.340 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -11.104 3.016 -14.466 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -10.635 4.509 -13.644 1.00 0.00 H new ATOM 349 N PRO B 3 -7.398 2.201 -15.234 1.00 0.00 N ATOM 350 CA PRO B 3 -5.936 2.487 -15.407 1.00 0.00 C ATOM 351 C PRO B 3 -5.181 2.469 -14.072 1.00 0.00 C ATOM 352 O PRO B 3 -3.968 2.258 -14.034 1.00 0.00 O ATOM 353 CB PRO B 3 -5.915 3.903 -16.018 1.00 0.00 C ATOM 354 CG PRO B 3 -7.246 4.069 -16.670 1.00 0.00 C ATOM 355 CD PRO B 3 -8.225 3.265 -15.835 1.00 0.00 C ATOM 0 HA PRO B 3 -5.444 1.736 -16.025 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.756 4.660 -15.251 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.107 4.007 -16.742 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.535 5.120 -16.705 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.224 3.710 -17.699 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.697 3.882 -15.071 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.025 2.850 -16.448 1.00 0.00 H new ATOM 363 N GLU B 4 -5.903 2.703 -12.983 1.00 0.00 N ATOM 364 CA GLU B 4 -5.291 2.721 -11.658 1.00 0.00 C ATOM 365 C GLU B 4 -4.691 1.359 -11.327 1.00 0.00 C ATOM 366 O GLU B 4 -3.894 1.233 -10.399 1.00 0.00 O ATOM 367 CB GLU B 4 -6.330 3.090 -10.600 1.00 0.00 C ATOM 368 CG GLU B 4 -6.756 4.549 -10.791 1.00 0.00 C ATOM 369 CD GLU B 4 -7.840 4.912 -9.783 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.260 6.058 -9.780 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.234 4.040 -9.025 1.00 0.00 O ATOM 0 H GLU B 4 -6.907 2.882 -12.989 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.497 3.468 -11.660 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.196 2.433 -10.681 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.915 2.949 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.896 5.207 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.126 4.699 -11.805 1.00 0.00 H new ATOM 378 N ALA B 5 -5.077 0.347 -12.096 1.00 0.00 N ATOM 379 CA ALA B 5 -4.572 -1.006 -11.881 1.00 0.00 C ATOM 380 C ALA B 5 -3.048 -1.024 -11.996 1.00 0.00 C ATOM 381 O ALA B 5 -2.378 -1.871 -11.404 1.00 0.00 O ATOM 382 CB ALA B 5 -5.178 -1.962 -12.912 1.00 0.00 C ATOM 0 H ALA B 5 -5.735 0.436 -12.871 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.857 -1.330 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.795 -2.969 -12.744 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.263 -1.965 -12.812 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.907 -1.634 -13.916 1.00 0.00 H new ATOM 388 N GLU B 6 -2.508 -0.083 -12.761 1.00 0.00 N ATOM 389 CA GLU B 6 -1.063 0.000 -12.942 1.00 0.00 C ATOM 390 C GLU B 6 -0.371 0.244 -11.604 1.00 0.00 C ATOM 391 O GLU B 6 0.712 -0.282 -11.347 1.00 0.00 O ATOM 392 CB GLU B 6 -0.718 1.135 -13.909 1.00 0.00 C ATOM 393 CG GLU B 6 -1.177 0.767 -15.320 1.00 0.00 C ATOM 394 CD GLU B 6 -0.870 1.908 -16.284 1.00 0.00 C ATOM 395 OE1 GLU B 6 -0.373 2.925 -15.830 1.00 0.00 O ATOM 396 OE2 GLU B 6 -1.134 1.746 -17.465 1.00 0.00 O ATOM 0 H GLU B 6 -3.042 0.627 -13.262 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.714 -0.946 -13.355 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.201 2.058 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.357 1.318 -13.902 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.675 -0.143 -15.649 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.247 0.558 -15.320 1.00 0.00 H new ATOM 403 N GLU B 7 -0.996 1.055 -10.757 1.00 0.00 N ATOM 404 CA GLU B 7 -0.421 1.364 -9.451 1.00 0.00 C ATOM 405 C GLU B 7 -0.303 0.100 -8.601 1.00 0.00 C ATOM 406 O GLU B 7 0.684 -0.096 -7.892 1.00 0.00 O ATOM 407 CB GLU B 7 -1.295 2.389 -8.725 1.00 0.00 C ATOM 408 CG GLU B 7 -0.563 2.895 -7.479 1.00 0.00 C ATOM 409 CD GLU B 7 0.668 3.709 -7.887 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.750 3.137 -7.957 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.511 4.895 -8.128 1.00 0.00 O ATOM 0 H GLU B 7 -1.891 1.506 -10.947 1.00 0.00 H new ATOM 0 HA GLU B 7 0.575 1.778 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.524 3.223 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.246 1.937 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.233 3.510 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.262 2.052 -6.857 1.00 0.00 H new ATOM 418 N ILE B 8 -1.310 -0.758 -8.686 1.00 0.00 N ATOM 419 CA ILE B 8 -1.309 -2.005 -7.930 1.00 0.00 C ATOM 420 C ILE B 8 -0.130 -2.876 -8.368 1.00 0.00 C ATOM 421 O ILE B 8 0.527 -3.513 -7.549 1.00 0.00 O ATOM 422 CB ILE B 8 -2.637 -2.756 -8.145 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.736 -2.098 -7.299 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.478 -4.226 -7.724 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.898 -0.629 -7.707 1.00 0.00 C ATOM 0 H ILE B 8 -2.135 -0.616 -9.268 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.206 -1.778 -6.869 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.910 -2.712 -9.199 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.678 -2.628 -7.435 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.482 -2.165 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.420 -4.753 -7.878 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.698 -4.694 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.203 -4.275 -6.670 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.679 -0.168 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.958 -0.101 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.172 -0.572 -8.760 1.00 0.00 H new ATOM 437 N THR B 9 0.124 -2.902 -9.667 1.00 0.00 N ATOM 438 CA THR B 9 1.218 -3.705 -10.197 1.00 0.00 C ATOM 439 C THR B 9 2.539 -3.247 -9.586 1.00 0.00 C ATOM 440 O THR B 9 3.382 -4.064 -9.214 1.00 0.00 O ATOM 441 CB THR B 9 1.274 -3.570 -11.720 1.00 0.00 C ATOM 442 OG1 THR B 9 0.064 -4.056 -12.283 1.00 0.00 O ATOM 443 CG2 THR B 9 2.454 -4.377 -12.263 1.00 0.00 C ATOM 0 H THR B 9 -0.405 -2.383 -10.368 1.00 0.00 H new ATOM 0 HA THR B 9 1.049 -4.751 -9.940 1.00 0.00 H new ATOM 0 HB THR B 9 1.402 -2.521 -11.987 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.099 -3.968 -13.258 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.493 -4.280 -13.348 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.382 -4.000 -11.832 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.330 -5.427 -11.997 1.00 0.00 H new ATOM 451 N ARG B 10 2.707 -1.934 -9.470 1.00 0.00 N ATOM 452 CA ARG B 10 3.922 -1.377 -8.882 1.00 0.00 C ATOM 453 C ARG B 10 4.063 -1.821 -7.429 1.00 0.00 C ATOM 454 O ARG B 10 5.158 -2.142 -6.973 1.00 0.00 O ATOM 455 CB ARG B 10 3.873 0.148 -8.951 1.00 0.00 C ATOM 456 CG ARG B 10 4.079 0.607 -10.395 1.00 0.00 C ATOM 457 CD ARG B 10 3.739 2.093 -10.507 1.00 0.00 C ATOM 458 NE ARG B 10 4.499 2.865 -9.530 1.00 0.00 N ATOM 459 CZ ARG B 10 5.736 3.281 -9.784 1.00 0.00 C ATOM 460 NH1 ARG B 10 6.389 3.968 -8.888 1.00 0.00 N ATOM 461 NH2 ARG B 10 6.296 3.002 -10.929 1.00 0.00 N ATOM 0 H ARG B 10 2.024 -1.240 -9.772 1.00 0.00 H new ATOM 0 HA ARG B 10 4.782 -1.740 -9.444 1.00 0.00 H new ATOM 0 HB2 ARG B 10 2.914 0.508 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG B 10 4.644 0.575 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.111 0.435 -10.700 1.00 0.00 H new ATOM 0 HG3 ARG B 10 3.447 0.026 -11.067 1.00 0.00 H new ATOM 0 HD2 ARG B 10 3.962 2.448 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG B 10 2.671 2.241 -10.346 1.00 0.00 H new ATOM 0 HE ARG B 10 4.072 3.091 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG B 10 5.951 4.186 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG B 10 7.338 4.287 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.785 2.465 -11.629 1.00 0.00 H new ATOM 0 HH22 ARG B 10 7.245 3.321 -11.124 1.00 0.00 H new ATOM 475 N CYS B 11 2.946 -1.847 -6.711 1.00 0.00 N ATOM 476 CA CYS B 11 2.961 -2.265 -5.316 1.00 0.00 C ATOM 477 C CYS B 11 3.488 -3.691 -5.191 1.00 0.00 C ATOM 478 O CYS B 11 4.270 -3.994 -4.295 1.00 0.00 O ATOM 479 CB CYS B 11 1.549 -2.189 -4.735 1.00 0.00 C ATOM 480 SG CYS B 11 1.153 -0.475 -4.324 1.00 0.00 S ATOM 0 H CYS B 11 2.027 -1.586 -7.068 1.00 0.00 H new ATOM 0 HA CYS B 11 3.619 -1.596 -4.761 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.828 -2.577 -5.454 1.00 0.00 H new ATOM 0 HB3 CYS B 11 1.478 -2.813 -3.844 1.00 0.00 H new ATOM 485 N LYS B 12 3.051 -4.562 -6.094 1.00 0.00 N ATOM 486 CA LYS B 12 3.483 -5.954 -6.059 1.00 0.00 C ATOM 487 C LYS B 12 5.000 -6.037 -6.194 1.00 0.00 C ATOM 488 O LYS B 12 5.662 -6.753 -5.444 1.00 0.00 O ATOM 489 CB LYS B 12 2.815 -6.729 -7.200 1.00 0.00 C ATOM 490 CG LYS B 12 3.207 -8.206 -7.117 1.00 0.00 C ATOM 491 CD LYS B 12 2.500 -8.984 -8.227 1.00 0.00 C ATOM 492 CE LYS B 12 2.882 -10.462 -8.133 1.00 0.00 C ATOM 493 NZ LYS B 12 2.194 -11.222 -9.214 1.00 0.00 N ATOM 0 H LYS B 12 2.406 -4.333 -6.850 1.00 0.00 H new ATOM 0 HA LYS B 12 3.191 -6.393 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.732 -6.626 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.120 -6.315 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.287 -8.313 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.934 -8.612 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.420 -8.870 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.781 -8.585 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.962 -10.576 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.601 -10.860 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.453 -12.227 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.164 -11.123 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.484 -10.847 -10.140 1.00 0.00 H new ATOM 507 N LYS B 13 5.544 -5.287 -7.143 1.00 0.00 N ATOM 508 CA LYS B 13 6.985 -5.266 -7.357 1.00 0.00 C ATOM 509 C LYS B 13 7.698 -4.689 -6.135 1.00 0.00 C ATOM 510 O LYS B 13 8.761 -5.163 -5.741 1.00 0.00 O ATOM 511 CB LYS B 13 7.329 -4.447 -8.600 1.00 0.00 C ATOM 512 CG LYS B 13 8.840 -4.495 -8.848 1.00 0.00 C ATOM 513 CD LYS B 13 9.172 -3.718 -10.120 1.00 0.00 C ATOM 514 CE LYS B 13 10.679 -3.774 -10.372 1.00 0.00 C ATOM 515 NZ LYS B 13 11.003 -3.017 -11.614 1.00 0.00 N ATOM 0 H LYS B 13 5.012 -4.688 -7.774 1.00 0.00 H new ATOM 0 HA LYS B 13 7.324 -6.291 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.796 -4.840 -9.466 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.005 -3.415 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.373 -4.067 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.171 -5.529 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.635 -4.141 -10.968 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.847 -2.682 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS B 13 11.216 -3.350 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS B 13 11.004 -4.810 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.028 -3.055 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.501 -3.441 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.707 -2.026 -11.504 1.00 0.00 H new ATOM 529 N LEU B 14 7.110 -3.653 -5.551 1.00 0.00 N ATOM 530 CA LEU B 14 7.708 -3.010 -4.388 1.00 0.00 C ATOM 531 C LEU B 14 7.810 -3.984 -3.225 1.00 0.00 C ATOM 532 O LEU B 14 8.822 -4.024 -2.525 1.00 0.00 O ATOM 533 CB LEU B 14 6.843 -1.808 -3.983 1.00 0.00 C ATOM 534 CG LEU B 14 7.092 -0.628 -4.949 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.912 0.356 -4.888 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.373 0.120 -4.545 1.00 0.00 C ATOM 0 H LEU B 14 6.228 -3.243 -5.859 1.00 0.00 H new ATOM 0 HA LEU B 14 8.714 -2.678 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.789 -2.086 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.078 -1.508 -2.962 1.00 0.00 H new ATOM 0 HG LEU B 14 7.196 -1.023 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.094 1.185 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.995 -0.157 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.809 0.739 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.541 0.950 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.266 0.504 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.222 -0.563 -4.587 1.00 0.00 H new ATOM 548 N LEU B 15 6.766 -4.770 -3.025 1.00 0.00 N ATOM 549 CA LEU B 15 6.761 -5.740 -1.942 1.00 0.00 C ATOM 550 C LEU B 15 7.852 -6.780 -2.157 1.00 0.00 C ATOM 551 O LEU B 15 8.538 -7.181 -1.222 1.00 0.00 O ATOM 552 CB LEU B 15 5.396 -6.423 -1.870 1.00 0.00 C ATOM 553 CG LEU B 15 4.334 -5.412 -1.410 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.942 -6.031 -1.564 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.566 -5.007 0.063 1.00 0.00 C ATOM 0 H LEU B 15 5.918 -4.757 -3.592 1.00 0.00 H new ATOM 0 HA LEU B 15 6.955 -5.222 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.129 -6.827 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.435 -7.264 -1.178 1.00 0.00 H new ATOM 0 HG LEU B 15 4.410 -4.518 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.187 -5.315 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.771 -6.287 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.875 -6.932 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.803 -4.291 0.368 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.507 -5.892 0.697 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.551 -4.552 0.164 1.00 0.00 H new ATOM 567 N ASP B 16 8.012 -7.205 -3.403 1.00 0.00 N ATOM 568 CA ASP B 16 9.027 -8.198 -3.738 1.00 0.00 C ATOM 569 C ASP B 16 10.426 -7.652 -3.449 1.00 0.00 C ATOM 570 O ASP B 16 11.314 -8.379 -2.995 1.00 0.00 O ATOM 571 CB ASP B 16 8.914 -8.586 -5.213 1.00 0.00 C ATOM 572 CG ASP B 16 7.665 -9.433 -5.433 1.00 0.00 C ATOM 573 OD1 ASP B 16 7.069 -9.844 -4.450 1.00 0.00 O ATOM 574 OD2 ASP B 16 7.328 -9.668 -6.582 1.00 0.00 O ATOM 0 H ASP B 16 7.457 -6.881 -4.195 1.00 0.00 H new ATOM 0 HA ASP B 16 8.863 -9.082 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.870 -7.690 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.800 -9.142 -5.521 1.00 0.00 H new ATOM 579 N ASP B 17 10.610 -6.367 -3.721 1.00 0.00 N ATOM 580 CA ASP B 17 11.897 -5.718 -3.504 1.00 0.00 C ATOM 581 C ASP B 17 12.240 -5.692 -2.019 1.00 0.00 C ATOM 582 O ASP B 17 13.358 -5.345 -1.637 1.00 0.00 O ATOM 583 CB ASP B 17 11.874 -4.290 -4.054 1.00 0.00 C ATOM 584 CG ASP B 17 11.849 -4.319 -5.578 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.569 -3.289 -6.167 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.108 -5.375 -6.135 1.00 0.00 O ATOM 0 H ASP B 17 9.885 -5.753 -4.092 1.00 0.00 H new ATOM 0 HA ASP B 17 12.660 -6.290 -4.032 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.999 -3.761 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.751 -3.743 -3.707 1.00 0.00 H new ATOM 591 N SER B 18 11.268 -6.042 -1.186 1.00 0.00 N ATOM 592 CA SER B 18 11.478 -6.037 0.253 1.00 0.00 C ATOM 593 C SER B 18 12.627 -6.950 0.632 1.00 0.00 C ATOM 594 O SER B 18 13.347 -6.692 1.596 1.00 0.00 O ATOM 595 CB SER B 18 10.205 -6.499 0.962 1.00 0.00 C ATOM 596 OG SER B 18 9.956 -7.862 0.641 1.00 0.00 O ATOM 0 H SER B 18 10.335 -6.330 -1.480 1.00 0.00 H new ATOM 0 HA SER B 18 11.723 -5.021 0.562 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.312 -6.381 2.040 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.360 -5.881 0.657 1.00 0.00 H new ATOM 0 HG SER B 18 9.455 -7.914 -0.200 1.00 0.00 H new ATOM 602 N SER B 19 12.797 -8.011 -0.132 1.00 0.00 N ATOM 603 CA SER B 19 13.884 -8.963 0.133 1.00 0.00 C ATOM 604 C SER B 19 15.195 -8.481 -0.470 1.00 0.00 C ATOM 605 O SER B 19 16.275 -8.924 -0.082 1.00 0.00 O ATOM 606 CB SER B 19 13.532 -10.334 -0.439 1.00 0.00 C ATOM 607 OG SER B 19 12.437 -10.883 0.283 1.00 0.00 O ATOM 0 H SER B 19 12.211 -8.243 -0.934 1.00 0.00 H new ATOM 0 HA SER B 19 14.008 -9.039 1.213 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.277 -10.244 -1.495 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.394 -10.999 -0.375 1.00 0.00 H new ATOM 0 HG SER B 19 12.210 -11.762 -0.085 1.00 0.00 H new ATOM 613 N SER B 20 15.086 -7.559 -1.406 1.00 0.00 N ATOM 614 CA SER B 20 16.265 -6.993 -2.065 1.00 0.00 C ATOM 615 C SER B 20 16.896 -5.911 -1.194 1.00 0.00 C ATOM 616 O SER B 20 16.206 -5.230 -0.439 1.00 0.00 O ATOM 617 CB SER B 20 15.889 -6.410 -3.428 1.00 0.00 C ATOM 618 OG SER B 20 17.065 -6.273 -4.217 1.00 0.00 O ATOM 0 H SER B 20 14.197 -7.181 -1.733 1.00 0.00 H new ATOM 0 HA SER B 20 16.990 -7.794 -2.213 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.173 -7.060 -3.930 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.406 -5.441 -3.302 1.00 0.00 H new ATOM 0 HG SER B 20 16.830 -5.901 -5.093 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 18.205 -5.756 -1.307 1.00 0.00 N ATOM 626 CA LYS C 1 18.915 -4.755 -0.523 1.00 0.00 C ATOM 627 C LYS C 1 18.657 -3.372 -1.087 1.00 0.00 C ATOM 628 O LYS C 1 19.324 -2.400 -0.717 1.00 0.00 O ATOM 629 CB LYS C 1 20.419 -5.051 -0.549 1.00 0.00 C ATOM 630 CG LYS C 1 20.677 -6.517 -0.171 1.00 0.00 C ATOM 631 CD LYS C 1 20.265 -6.768 1.283 1.00 0.00 C ATOM 632 CE LYS C 1 20.696 -8.168 1.699 1.00 0.00 C ATOM 633 NZ LYS C 1 22.180 -8.259 1.653 1.00 0.00 N ATOM 0 H3 LYS C 1 18.115 -6.631 -0.753 1.00 0.00 H new ATOM 0 HA LYS C 1 18.556 -4.791 0.506 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.820 -4.848 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.939 -4.392 0.146 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.116 -7.175 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS C 1 21.733 -6.754 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS C 1 20.725 -6.026 1.936 1.00 0.00 H new ATOM 0 HD3 LYS C 1 19.185 -6.662 1.390 1.00 0.00 H new ATOM 0 HE2 LYS C 1 20.338 -8.388 2.705 1.00 0.00 H new ATOM 0 HE3 LYS C 1 20.254 -8.910 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 22.504 -8.992 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 22.483 -8.506 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 22.592 -7.343 1.921 1.00 0.00 H new ATOM 647 N ASN C 2 17.704 -3.298 -2.003 1.00 0.00 N ATOM 648 CA ASN C 2 17.388 -2.038 -2.635 1.00 0.00 C ATOM 649 C ASN C 2 16.885 -1.019 -1.591 1.00 0.00 C ATOM 650 O ASN C 2 16.074 -1.363 -0.727 1.00 0.00 O ATOM 651 CB ASN C 2 16.328 -2.218 -3.727 1.00 0.00 C ATOM 652 CG ASN C 2 16.365 -1.031 -4.698 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.278 -0.353 -4.933 1.00 0.00 O flip ATOM 654 ND2 ASN C 2 17.413 -0.724 -5.270 1.00 0.00 N flip ATOM 0 H ASN C 2 17.144 -4.090 -2.319 1.00 0.00 H new ATOM 0 HA ASN C 2 18.302 -1.661 -3.094 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.507 -3.147 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN C 2 15.339 -2.298 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN C 2 18.267 -1.252 -5.089 1.00 0.00 H new ATOM 0 HD22 ASN C 2 17.427 0.058 -5.924 1.00 0.00 H new ATOM 661 N PRO C 3 17.318 0.222 -1.653 1.00 0.00 N ATOM 662 CA PRO C 3 16.868 1.283 -0.693 1.00 0.00 C ATOM 663 C PRO C 3 15.342 1.432 -0.669 1.00 0.00 C ATOM 664 O PRO C 3 14.768 1.909 0.311 1.00 0.00 O ATOM 665 CB PRO C 3 17.525 2.567 -1.242 1.00 0.00 C ATOM 666 CG PRO C 3 18.694 2.101 -2.041 1.00 0.00 C ATOM 667 CD PRO C 3 18.298 0.755 -2.618 1.00 0.00 C ATOM 0 HA PRO C 3 17.150 1.051 0.334 1.00 0.00 H new ATOM 0 HB2 PRO C 3 16.827 3.133 -1.859 1.00 0.00 H new ATOM 0 HB3 PRO C 3 17.840 3.225 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO C 3 18.932 2.810 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.583 2.011 -1.416 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.862 0.860 -3.611 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.160 0.095 -2.716 1.00 0.00 H new ATOM 675 N GLU C 4 14.694 1.030 -1.755 1.00 0.00 N ATOM 676 CA GLU C 4 13.241 1.135 -1.852 1.00 0.00 C ATOM 677 C GLU C 4 12.572 0.287 -0.776 1.00 0.00 C ATOM 678 O GLU C 4 11.384 0.444 -0.500 1.00 0.00 O ATOM 679 CB GLU C 4 12.766 0.673 -3.228 1.00 0.00 C ATOM 680 CG GLU C 4 13.245 1.666 -4.293 1.00 0.00 C ATOM 681 CD GLU C 4 12.836 1.183 -5.679 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.116 1.886 -6.636 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.246 0.119 -5.764 1.00 0.00 O ATOM 0 H GLU C 4 15.147 0.630 -2.577 1.00 0.00 H new ATOM 0 HA GLU C 4 12.966 2.180 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.154 -0.323 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.678 0.602 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.818 2.651 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.329 1.773 -4.241 1.00 0.00 H new ATOM 690 N ALA C 5 13.346 -0.607 -0.170 1.00 0.00 N ATOM 691 CA ALA C 5 12.824 -1.477 0.879 1.00 0.00 C ATOM 692 C ALA C 5 12.271 -0.642 2.033 1.00 0.00 C ATOM 693 O ALA C 5 11.383 -1.080 2.767 1.00 0.00 O ATOM 694 CB ALA C 5 13.932 -2.398 1.397 1.00 0.00 C ATOM 0 H ALA C 5 14.333 -0.748 -0.386 1.00 0.00 H new ATOM 0 HA ALA C 5 12.020 -2.082 0.460 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.533 -3.043 2.179 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.308 -3.011 0.578 1.00 0.00 H new ATOM 0 HB3 ALA C 5 14.745 -1.796 1.803 1.00 0.00 H new ATOM 700 N GLU C 6 12.806 0.563 2.191 1.00 0.00 N ATOM 701 CA GLU C 6 12.358 1.450 3.260 1.00 0.00 C ATOM 702 C GLU C 6 10.876 1.780 3.092 1.00 0.00 C ATOM 703 O GLU C 6 10.139 1.889 4.073 1.00 0.00 O ATOM 704 CB GLU C 6 13.172 2.747 3.242 1.00 0.00 C ATOM 705 CG GLU C 6 14.612 2.453 3.665 1.00 0.00 C ATOM 706 CD GLU C 6 15.444 3.730 3.609 1.00 0.00 C ATOM 707 OE1 GLU C 6 14.909 4.746 3.198 1.00 0.00 O ATOM 708 OE2 GLU C 6 16.604 3.672 3.982 1.00 0.00 O ATOM 0 H GLU C 6 13.543 0.946 1.600 1.00 0.00 H new ATOM 0 HA GLU C 6 12.505 0.942 4.213 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.157 3.184 2.244 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.726 3.478 3.916 1.00 0.00 H new ATOM 0 HG2 GLU C 6 14.627 2.044 4.675 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.045 1.698 3.009 1.00 0.00 H new ATOM 715 N GLU C 7 10.445 1.947 1.846 1.00 0.00 N ATOM 716 CA GLU C 7 9.050 2.272 1.572 1.00 0.00 C ATOM 717 C GLU C 7 8.135 1.146 2.049 1.00 0.00 C ATOM 718 O GLU C 7 7.060 1.392 2.596 1.00 0.00 O ATOM 719 CB GLU C 7 8.850 2.493 0.070 1.00 0.00 C ATOM 720 CG GLU C 7 7.455 3.073 -0.181 1.00 0.00 C ATOM 721 CD GLU C 7 7.363 4.486 0.401 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.890 4.626 1.523 1.00 0.00 O ATOM 723 OE2 GLU C 7 7.768 5.410 -0.285 1.00 0.00 O ATOM 0 H GLU C 7 11.035 1.864 1.018 1.00 0.00 H new ATOM 0 HA GLU C 7 8.796 3.185 2.110 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.612 3.172 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU C 7 8.965 1.551 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.250 3.098 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU C 7 6.699 2.433 0.274 1.00 0.00 H new ATOM 730 N ILE C 8 8.573 -0.089 1.847 1.00 0.00 N ATOM 731 CA ILE C 8 7.793 -1.246 2.269 1.00 0.00 C ATOM 732 C ILE C 8 7.615 -1.229 3.787 1.00 0.00 C ATOM 733 O ILE C 8 6.543 -1.537 4.305 1.00 0.00 O ATOM 734 CB ILE C 8 8.494 -2.545 1.832 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.252 -2.779 0.334 1.00 0.00 C ATOM 736 CG2 ILE C 8 7.936 -3.735 2.633 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.828 -1.609 -0.472 1.00 0.00 C ATOM 0 H ILE C 8 9.459 -0.316 1.396 1.00 0.00 H new ATOM 0 HA ILE C 8 6.811 -1.202 1.797 1.00 0.00 H new ATOM 0 HB ILE C 8 9.564 -2.455 2.020 1.00 0.00 H new ATOM 0 HG12 ILE C 8 8.719 -3.713 0.022 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.184 -2.876 0.139 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.436 -4.651 2.319 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.111 -3.572 3.696 1.00 0.00 H new ATOM 0 HG23 ILE C 8 6.865 -3.826 2.451 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.654 -1.779 -1.535 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.340 -0.683 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE C 8 9.899 -1.532 -0.287 1.00 0.00 H new ATOM 749 N THR C 9 8.678 -0.875 4.494 1.00 0.00 N ATOM 750 CA THR C 9 8.627 -0.835 5.948 1.00 0.00 C ATOM 751 C THR C 9 7.553 0.151 6.400 1.00 0.00 C ATOM 752 O THR C 9 6.794 -0.122 7.330 1.00 0.00 O ATOM 753 CB THR C 9 9.988 -0.415 6.508 1.00 0.00 C ATOM 754 OG1 THR C 9 10.967 -1.372 6.134 1.00 0.00 O ATOM 755 CG2 THR C 9 9.910 -0.327 8.032 1.00 0.00 C ATOM 0 H THR C 9 9.577 -0.614 4.090 1.00 0.00 H new ATOM 0 HA THR C 9 8.381 -1.829 6.323 1.00 0.00 H new ATOM 0 HB THR C 9 10.262 0.560 6.106 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.840 -1.104 6.490 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.880 -0.028 8.429 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.159 0.410 8.316 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.636 -1.300 8.439 1.00 0.00 H new ATOM 763 N ARG C 10 7.484 1.291 5.723 1.00 0.00 N ATOM 764 CA ARG C 10 6.483 2.302 6.050 1.00 0.00 C ATOM 765 C ARG C 10 5.077 1.747 5.836 1.00 0.00 C ATOM 766 O ARG C 10 4.171 2.002 6.628 1.00 0.00 O ATOM 767 CB ARG C 10 6.689 3.533 5.169 1.00 0.00 C ATOM 768 CG ARG C 10 7.937 4.289 5.621 1.00 0.00 C ATOM 769 CD ARG C 10 8.300 5.340 4.571 1.00 0.00 C ATOM 770 NE ARG C 10 7.152 6.193 4.289 1.00 0.00 N ATOM 771 CZ ARG C 10 6.869 7.251 5.041 1.00 0.00 C ATOM 772 NH1 ARG C 10 5.833 7.994 4.762 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.628 7.549 6.061 1.00 0.00 N ATOM 0 H ARG C 10 8.103 1.538 4.951 1.00 0.00 H new ATOM 0 HA ARG C 10 6.595 2.581 7.098 1.00 0.00 H new ATOM 0 HB2 ARG C 10 6.792 3.232 4.126 1.00 0.00 H new ATOM 0 HB3 ARG C 10 5.817 4.184 5.228 1.00 0.00 H new ATOM 0 HG2 ARG C 10 7.758 4.767 6.584 1.00 0.00 H new ATOM 0 HG3 ARG C 10 8.766 3.595 5.759 1.00 0.00 H new ATOM 0 HD2 ARG C 10 9.133 5.946 4.927 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.631 4.850 3.655 1.00 0.00 H new ATOM 0 HE ARG C 10 6.551 5.972 3.495 1.00 0.00 H new ATOM 0 HH11 ARG C 10 5.239 7.763 3.966 1.00 0.00 H new ATOM 0 HH12 ARG C 10 5.617 8.806 5.340 1.00 0.00 H new ATOM 0 HH21 ARG C 10 8.438 6.969 6.280 1.00 0.00 H new ATOM 0 HH22 ARG C 10 7.411 8.361 6.638 1.00 0.00 H new ATOM 787 N CYS C 11 4.904 0.980 4.766 1.00 0.00 N ATOM 788 CA CYS C 11 3.605 0.388 4.467 1.00 0.00 C ATOM 789 C CYS C 11 3.153 -0.514 5.613 1.00 0.00 C ATOM 790 O CYS C 11 1.987 -0.495 6.003 1.00 0.00 O ATOM 791 CB CYS C 11 3.688 -0.427 3.175 1.00 0.00 C ATOM 792 SG CYS C 11 3.599 0.679 1.749 1.00 0.00 S ATOM 0 H CYS C 11 5.639 0.755 4.096 1.00 0.00 H new ATOM 0 HA CYS C 11 2.879 1.191 4.343 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.619 -0.993 3.150 1.00 0.00 H new ATOM 0 HB3 CYS C 11 2.874 -1.151 3.137 1.00 0.00 H new ATOM 797 N LYS C 12 4.080 -1.302 6.146 1.00 0.00 N ATOM 798 CA LYS C 12 3.751 -2.210 7.237 1.00 0.00 C ATOM 799 C LYS C 12 3.223 -1.423 8.432 1.00 0.00 C ATOM 800 O LYS C 12 2.208 -1.784 9.028 1.00 0.00 O ATOM 801 CB LYS C 12 5.000 -2.998 7.645 1.00 0.00 C ATOM 802 CG LYS C 12 4.639 -4.009 8.736 1.00 0.00 C ATOM 803 CD LYS C 12 5.878 -4.820 9.110 1.00 0.00 C ATOM 804 CE LYS C 12 5.511 -5.836 10.193 1.00 0.00 C ATOM 805 NZ LYS C 12 6.717 -6.630 10.559 1.00 0.00 N ATOM 0 H LYS C 12 5.054 -1.331 5.845 1.00 0.00 H new ATOM 0 HA LYS C 12 2.980 -2.904 6.903 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.414 -3.515 6.779 1.00 0.00 H new ATOM 0 HB3 LYS C 12 5.769 -2.316 8.008 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.252 -3.491 9.613 1.00 0.00 H new ATOM 0 HG3 LYS C 12 3.849 -4.673 8.384 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.269 -5.333 8.232 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.665 -4.157 9.469 1.00 0.00 H new ATOM 0 HE2 LYS C 12 5.121 -5.322 11.071 1.00 0.00 H new ATOM 0 HE3 LYS C 12 4.722 -6.497 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 6.468 -7.321 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 7.070 -7.131 9.719 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 7.456 -5.993 10.918 1.00 0.00 H new ATOM 819 N LYS C 13 3.909 -0.337 8.765 1.00 0.00 N ATOM 820 CA LYS C 13 3.493 0.510 9.875 1.00 0.00 C ATOM 821 C LYS C 13 2.136 1.143 9.583 1.00 0.00 C ATOM 822 O LYS C 13 1.291 1.267 10.468 1.00 0.00 O ATOM 823 CB LYS C 13 4.534 1.598 10.137 1.00 0.00 C ATOM 824 CG LYS C 13 4.115 2.432 11.352 1.00 0.00 C ATOM 825 CD LYS C 13 5.179 3.491 11.634 1.00 0.00 C ATOM 826 CE LYS C 13 4.765 4.315 12.853 1.00 0.00 C ATOM 827 NZ LYS C 13 5.808 5.342 13.135 1.00 0.00 N ATOM 0 H LYS C 13 4.752 -0.023 8.285 1.00 0.00 H new ATOM 0 HA LYS C 13 3.405 -0.112 10.766 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.510 1.146 10.313 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.633 2.239 9.261 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.153 2.909 11.165 1.00 0.00 H new ATOM 0 HG3 LYS C 13 3.988 1.788 12.222 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.143 3.015 11.813 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.301 4.140 10.767 1.00 0.00 H new ATOM 0 HE2 LYS C 13 3.805 4.797 12.671 1.00 0.00 H new ATOM 0 HE3 LYS C 13 4.636 3.665 13.718 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 5.527 5.903 13.964 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 6.716 4.872 13.326 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 5.910 5.969 12.311 1.00 0.00 H new ATOM 841 N LEU C 14 1.940 1.555 8.338 1.00 0.00 N ATOM 842 CA LEU C 14 0.689 2.191 7.943 1.00 0.00 C ATOM 843 C LEU C 14 -0.482 1.237 8.122 1.00 0.00 C ATOM 844 O LEU C 14 -1.545 1.630 8.601 1.00 0.00 O ATOM 845 CB LEU C 14 0.787 2.621 6.473 1.00 0.00 C ATOM 846 CG LEU C 14 1.650 3.895 6.349 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.165 4.042 4.908 1.00 0.00 C ATOM 848 CD2 LEU C 14 0.808 5.135 6.698 1.00 0.00 C ATOM 0 H LEU C 14 2.625 1.462 7.588 1.00 0.00 H new ATOM 0 HA LEU C 14 0.520 3.062 8.576 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.223 1.818 5.879 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.210 2.807 6.073 1.00 0.00 H new ATOM 0 HG LEU C 14 2.492 3.812 7.037 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.773 4.943 4.829 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.769 3.173 4.647 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.319 4.114 4.225 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.424 6.030 6.608 1.00 0.00 H new ATOM 0 HD22 LEU C 14 -0.037 5.206 6.013 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.440 5.049 7.720 1.00 0.00 H new ATOM 860 N LEU C 15 -0.283 -0.013 7.739 1.00 0.00 N ATOM 861 CA LEU C 15 -1.337 -1.008 7.865 1.00 0.00 C ATOM 862 C LEU C 15 -1.696 -1.221 9.329 1.00 0.00 C ATOM 863 O LEU C 15 -2.865 -1.343 9.684 1.00 0.00 O ATOM 864 CB LEU C 15 -0.874 -2.326 7.247 1.00 0.00 C ATOM 865 CG LEU C 15 -0.752 -2.170 5.723 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.068 -3.409 5.137 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.147 -1.989 5.079 1.00 0.00 C ATOM 0 H LEU C 15 0.589 -0.362 7.342 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.222 -0.651 7.339 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.087 -2.619 7.670 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.583 -3.119 7.485 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.155 -1.284 5.508 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.019 -3.299 4.056 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.926 -3.516 5.572 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.661 -4.294 5.365 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -2.038 -1.880 4.000 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.764 -2.861 5.296 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.623 -1.098 5.487 1.00 0.00 H new ATOM 879 N ASP C 16 -0.678 -1.254 10.178 1.00 0.00 N ATOM 880 CA ASP C 16 -0.894 -1.448 11.609 1.00 0.00 C ATOM 881 C ASP C 16 -1.703 -0.292 12.192 1.00 0.00 C ATOM 882 O ASP C 16 -2.549 -0.488 13.065 1.00 0.00 O ATOM 883 CB ASP C 16 0.450 -1.555 12.331 1.00 0.00 C ATOM 884 CG ASP C 16 1.114 -2.888 12.001 1.00 0.00 C ATOM 885 OD1 ASP C 16 0.436 -3.751 11.466 1.00 0.00 O ATOM 886 OD2 ASP C 16 2.292 -3.027 12.287 1.00 0.00 O ATOM 0 H ASP C 16 0.299 -1.150 9.906 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.454 -2.372 11.751 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.099 -0.732 12.032 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.302 -1.470 13.408 1.00 0.00 H new ATOM 891 N ASP C 17 -1.431 0.910 11.703 1.00 0.00 N ATOM 892 CA ASP C 17 -2.124 2.101 12.177 1.00 0.00 C ATOM 893 C ASP C 17 -3.605 2.031 11.823 1.00 0.00 C ATOM 894 O ASP C 17 -4.401 2.853 12.277 1.00 0.00 O ATOM 895 CB ASP C 17 -1.506 3.358 11.561 1.00 0.00 C ATOM 896 CG ASP C 17 -0.122 3.602 12.156 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.611 4.398 11.594 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.183 2.986 13.165 1.00 0.00 O ATOM 0 H ASP C 17 -0.735 1.087 10.978 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.020 2.148 13.261 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.431 3.244 10.479 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.148 4.219 11.748 1.00 0.00 H new ATOM 903 N SER C 18 -3.965 1.058 10.994 1.00 0.00 N ATOM 904 CA SER C 18 -5.349 0.907 10.573 1.00 0.00 C ATOM 905 C SER C 18 -6.260 0.723 11.771 1.00 0.00 C ATOM 906 O SER C 18 -7.414 1.147 11.759 1.00 0.00 O ATOM 907 CB SER C 18 -5.476 -0.304 9.649 1.00 0.00 C ATOM 908 OG SER C 18 -5.203 -1.489 10.386 1.00 0.00 O ATOM 0 H SER C 18 -3.323 0.368 10.604 1.00 0.00 H new ATOM 0 HA SER C 18 -5.648 1.811 10.043 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.479 -0.349 9.225 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.781 -0.213 8.814 1.00 0.00 H new ATOM 0 HG SER C 18 -4.266 -1.745 10.258 1.00 0.00 H new ATOM 914 N SER C 19 -5.734 0.097 12.803 1.00 0.00 N ATOM 915 CA SER C 19 -6.511 -0.133 14.026 1.00 0.00 C ATOM 916 C SER C 19 -6.485 1.090 14.932 1.00 0.00 C ATOM 917 O SER C 19 -7.322 1.240 15.821 1.00 0.00 O ATOM 918 CB SER C 19 -5.960 -1.339 14.782 1.00 0.00 C ATOM 919 OG SER C 19 -6.173 -2.518 14.017 1.00 0.00 O ATOM 0 H SER C 19 -4.780 -0.263 12.830 1.00 0.00 H new ATOM 0 HA SER C 19 -7.543 -0.326 13.734 1.00 0.00 H new ATOM 0 HB2 SER C 19 -4.895 -1.205 14.974 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.450 -1.429 15.751 1.00 0.00 H new ATOM 0 HG SER C 19 -5.817 -3.292 14.502 1.00 0.00 H new ATOM 925 N SER C 20 -5.524 1.960 14.689 1.00 0.00 N ATOM 926 CA SER C 20 -5.383 3.188 15.477 1.00 0.00 C ATOM 927 C SER C 20 -6.347 4.263 14.983 1.00 0.00 C ATOM 928 O SER C 20 -6.689 4.310 13.803 1.00 0.00 O ATOM 929 CB SER C 20 -3.949 3.709 15.396 1.00 0.00 C ATOM 930 OG SER C 20 -3.728 4.630 16.458 1.00 0.00 O ATOM 0 H SER C 20 -4.825 1.847 13.954 1.00 0.00 H new ATOM 0 HA SER C 20 -5.622 2.952 16.514 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.244 2.881 15.464 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.779 4.195 14.435 1.00 0.00 H new ATOM 0 HG SER C 20 -2.809 4.967 16.413 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.129 -0.519 -1.789 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.871 -0.066 -0.915 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.551 0.231 0.433 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.761 0.070 0.901 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.772 -0.389 0.022 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.460 -0.683 -1.321 1.00 0.00 C HETATM 943 C7 ZBR A 100 -0.243 -0.818 -3.221 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.606 0.721 1.398 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.194 -0.572 0.500 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.238 -1.035 -1.998 1.00 0.00 H new HETATM 0 H4 ZBR A 100 1.002 0.298 1.939 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.893 0.057 -1.273 1.00 0.00 H new