USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 77 SER OG : rot 112:sc= 1.23 USER MOD Set 1.2: A 80 ASN : amide:sc= 1 K(o=2.2,f=0.61) USER MOD Set 2.1: A 50 CYS SG : rot -58:sc= -2.12! USER MOD Set 2.2: A 63 CYS SG : rot -70:sc= -4.76! USER MOD Set 3.1: A 44 CYS SG : rot -171:sc= -0.222! USER MOD Set 3.2: A 60 CYS SG : rot -141:sc= -1.06 USER MOD Set 4.1: A 40 MET CE :methyl -143:sc= -0.054 (180deg=-1.32) USER MOD Set 4.2: A 42 TYR OH : rot 109:sc= 0.0214 USER MOD Set 4.3: A 66 GLN :FLIP amide:sc= -0.405 F(o=-1.4,f=-0.44) USER MOD Set 5.1: A 37 GLN :FLIP amide:sc= -4.46! C(o=-23!,f=-15!) USER MOD Set 5.2: A 38 LYS NZ :NH3+ -179:sc= 0.0856 (180deg=-1.04) USER MOD Set 5.3: A 75 LYS NZ :NH3+ -133:sc= -11.1! (180deg=-9.96!) USER MOD Set 6.1: A 35 SER OG : rot -81:sc= 0.84 USER MOD Set 6.2: A 61 GLN :FLIP amide:sc= 0.292 F(o=-1.6!,f=1.1) USER MOD Set 7.1: A 8 CYS SG : rot 130:sc= -2.41! USER MOD Set 7.2: A 11 CYS SG : rot -100:sc= 0.586 USER MOD Set 7.3: A 25 CYS SG : rot 180:sc= 0.142 USER MOD Set 7.4: A 28 CYS SG : rot 154:sc= -0.113 USER MOD Set 7.5: A 68 CYS SG : rot -95:sc= -1.22 USER MOD Set 7.6: A 73 MET CE :methyl 169:sc= -0.417 (180deg=-0.619) USER MOD Set 8.1: A 20 TYR OH : rot 22:sc= -3.59! USER MOD Set 8.2: A 29 LYS NZ :NH3+ 158:sc= -1.54 (180deg=-3.98!) USER MOD Set 9.1: A 18 TYR OH : rot -167:sc= -2.73! USER MOD Set 9.2: A 19 HIS :FLIP no HE2:sc= -1.02 F(o=-4.3,f=-3.7) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= 0.637 (180deg=0.214) USER MOD Single : A 12 GLN : amide:sc= -2.68! K(o=-2.7!,f=-3.5) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 130:sc= -0.612 USER MOD Single : A 39 ASN : amide:sc= -0.288 K(o=-0.29,f=-5.4!) USER MOD Single : A 43 THR OG1 : rot -72:sc= 0.698 USER MOD Single : A 45 HIS :FLIP no HD1:sc= 0.00668 F(o=-0.52,f=0.0067) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0339) USER MOD Single : A 49 ASN : amide:sc= -0.582 K(o=-0.58,f=-3!) USER MOD Single : A 53 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.6!) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= 1.16 (180deg=0.6) USER MOD Single : A 56 THR OG1 : rot 58:sc= -0.856 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= 0.654 (180deg=0.545) USER MOD Single : A 74 SER OG : rot -51:sc= -0.814 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.628 10.057 1.137 1.00 0.00 N ATOM 47 CA LYS A 6 6.479 9.155 0.945 1.00 0.00 C ATOM 48 C LYS A 6 5.970 9.084 -0.492 1.00 0.00 C ATOM 49 O LYS A 6 6.012 7.966 -0.987 1.00 0.00 O ATOM 50 CB LYS A 6 5.380 9.366 1.982 1.00 0.00 C ATOM 51 CG LYS A 6 5.633 10.501 2.978 1.00 0.00 C ATOM 52 CD LYS A 6 6.266 10.111 4.336 1.00 0.00 C ATOM 53 CE LYS A 6 7.800 10.073 4.403 1.00 0.00 C ATOM 54 NZ LYS A 6 8.335 8.841 3.812 1.00 0.00 N ATOM 0 HA LYS A 6 6.868 8.154 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.444 9.564 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.245 8.439 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.282 11.235 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.683 10.997 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.911 10.814 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.890 9.127 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.209 10.937 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.122 10.149 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.307 8.689 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.741 8.035 4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.336 8.925 2.775 1.00 0.00 H new ATOM 55 N PRO A 7 5.194 10.021 -1.031 1.00 0.00 N ATOM 56 CA PRO A 7 3.794 10.303 -0.712 1.00 0.00 C ATOM 57 C PRO A 7 2.818 9.240 -1.252 1.00 0.00 C ATOM 58 O PRO A 7 1.854 9.462 -1.973 1.00 0.00 O ATOM 59 CB PRO A 7 3.553 11.722 -1.216 1.00 0.00 C ATOM 60 CG PRO A 7 4.920 12.234 -1.690 1.00 0.00 C ATOM 61 CD PRO A 7 5.651 10.940 -2.047 1.00 0.00 C ATOM 0 HA PRO A 7 3.597 10.246 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.828 11.730 -2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.151 12.355 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.829 12.899 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.438 12.791 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.395 10.595 -3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.733 11.067 -2.020 1.00 0.00 H new ATOM 62 N CYS A 8 3.338 8.037 -1.071 1.00 0.00 N ATOM 63 CA CYS A 8 2.819 6.723 -1.424 1.00 0.00 C ATOM 64 C CYS A 8 1.753 5.978 -0.617 1.00 0.00 C ATOM 65 O CYS A 8 0.868 5.415 -1.258 1.00 0.00 O ATOM 66 CB CYS A 8 4.071 5.884 -1.625 1.00 0.00 C ATOM 67 SG CYS A 8 4.869 5.774 -3.259 1.00 0.00 S ATOM 0 H CYS A 8 4.247 7.947 -0.617 1.00 0.00 H new ATOM 0 HA CYS A 8 2.170 6.906 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.821 6.256 -0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.827 4.867 -1.319 1.00 0.00 H new ATOM 0 HG CYS A 8 6.141 6.016 -3.138 1.00 0.00 H new ATOM 68 N PHE A 9 1.699 5.971 0.705 1.00 0.00 N ATOM 69 CA PHE A 9 2.605 6.614 1.657 1.00 0.00 C ATOM 70 C PHE A 9 3.900 5.815 2.012 1.00 0.00 C ATOM 71 O PHE A 9 4.850 6.361 2.570 1.00 0.00 O ATOM 72 CB PHE A 9 1.832 7.120 2.876 1.00 0.00 C ATOM 73 CG PHE A 9 2.631 7.795 3.977 1.00 0.00 C ATOM 74 CD1 PHE A 9 3.069 7.072 5.107 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.516 9.194 4.000 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.341 7.767 6.304 1.00 0.00 C ATOM 77 CE2 PHE A 9 2.788 9.897 5.177 1.00 0.00 C ATOM 78 CZ PHE A 9 3.164 9.167 6.321 1.00 0.00 C ATOM 0 H PHE A 9 0.953 5.470 1.188 1.00 0.00 H new ATOM 0 HA PHE A 9 3.017 7.478 1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.076 7.824 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.302 6.274 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.194 6.001 5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.218 9.727 3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.676 7.241 7.186 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.712 10.974 5.208 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.323 9.699 7.247 1.00 0.00 H new ATOM 79 N VAL A 10 4.020 4.649 1.397 1.00 0.00 N ATOM 80 CA VAL A 10 4.929 3.553 1.794 1.00 0.00 C ATOM 81 C VAL A 10 5.879 2.923 0.759 1.00 0.00 C ATOM 82 O VAL A 10 6.735 2.122 1.120 1.00 0.00 O ATOM 83 CB VAL A 10 3.936 2.586 2.406 1.00 0.00 C ATOM 84 CG1 VAL A 10 3.935 1.085 2.143 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.508 2.917 3.858 1.00 0.00 C ATOM 0 H VAL A 10 3.469 4.418 0.571 1.00 0.00 H new ATOM 0 HA VAL A 10 5.721 3.924 2.445 1.00 0.00 H new ATOM 0 HB VAL A 10 3.171 2.855 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.123 0.618 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.795 0.902 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.886 0.659 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.797 2.168 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.385 2.914 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.041 3.901 3.884 1.00 0.00 H new ATOM 86 N CYS A 11 5.599 3.128 -0.525 1.00 0.00 N ATOM 87 CA CYS A 11 6.297 2.419 -1.633 1.00 0.00 C ATOM 88 C CYS A 11 7.063 3.282 -2.645 1.00 0.00 C ATOM 89 O CYS A 11 7.076 3.005 -3.840 1.00 0.00 O ATOM 90 CB CYS A 11 5.283 1.443 -2.261 1.00 0.00 C ATOM 91 SG CYS A 11 4.519 1.828 -3.893 1.00 0.00 S ATOM 0 H CYS A 11 4.887 3.785 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 11 7.138 1.876 -1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.779 0.477 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.471 1.315 -1.545 1.00 0.00 H new ATOM 0 HG CYS A 11 3.323 2.303 -3.711 1.00 0.00 H new ATOM 92 N GLN A 12 7.851 4.306 -2.334 1.00 0.00 N ATOM 93 CA GLN A 12 8.226 5.033 -1.107 1.00 0.00 C ATOM 94 C GLN A 12 8.836 6.367 -1.591 1.00 0.00 C ATOM 95 O GLN A 12 10.000 6.672 -1.334 1.00 0.00 O ATOM 96 CB GLN A 12 9.202 4.207 -0.261 1.00 0.00 C ATOM 97 CG GLN A 12 9.532 4.836 1.096 1.00 0.00 C ATOM 98 CD GLN A 12 8.303 4.999 1.990 1.00 0.00 C ATOM 99 OE1 GLN A 12 7.995 4.163 2.827 1.00 0.00 O ATOM 100 NE2 GLN A 12 7.673 6.148 1.931 1.00 0.00 N ATOM 0 H GLN A 12 8.352 4.741 -3.109 1.00 0.00 H new ATOM 0 HA GLN A 12 7.372 5.218 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.778 3.216 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.127 4.069 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.268 4.217 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.991 5.812 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.937 6.839 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.919 6.350 2.587 1.00 0.00 H new ATOM 124 N SER A 16 0.071 11.086 -5.689 1.00 0.00 N ATOM 125 CA SER A 16 -0.545 12.391 -5.955 1.00 0.00 C ATOM 126 C SER A 16 -2.065 12.515 -5.763 1.00 0.00 C ATOM 127 O SER A 16 -2.808 11.570 -6.022 1.00 0.00 O ATOM 128 CB SER A 16 -0.265 13.025 -7.320 1.00 0.00 C ATOM 129 OG SER A 16 1.120 13.392 -7.404 1.00 0.00 O ATOM 0 HA SER A 16 -0.022 12.925 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.515 12.324 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.894 13.904 -7.460 1.00 0.00 H new ATOM 0 HG SER A 16 1.299 13.796 -8.279 1.00 0.00 H new ATOM 130 N GLY A 17 -2.446 13.655 -5.183 1.00 0.00 N ATOM 131 CA GLY A 17 -3.842 14.114 -5.041 1.00 0.00 C ATOM 132 C GLY A 17 -4.014 15.320 -4.091 1.00 0.00 C ATOM 133 O GLY A 17 -3.633 16.430 -4.438 1.00 0.00 O ATOM 0 H GLY A 17 -1.774 14.310 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.227 14.382 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.450 13.287 -4.675 1.00 0.00 H new ATOM 134 N TYR A 18 -4.440 15.105 -2.838 1.00 0.00 N ATOM 135 CA TYR A 18 -4.613 13.757 -2.279 1.00 0.00 C ATOM 136 C TYR A 18 -6.068 13.265 -2.056 1.00 0.00 C ATOM 137 O TYR A 18 -6.905 13.977 -1.515 1.00 0.00 O ATOM 138 CB TYR A 18 -3.732 13.420 -1.059 1.00 0.00 C ATOM 139 CG TYR A 18 -3.318 11.940 -1.109 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.942 11.449 -2.389 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.946 11.091 -0.174 1.00 0.00 C ATOM 142 CE1 TYR A 18 -3.411 10.198 -2.810 1.00 0.00 C ATOM 143 CE2 TYR A 18 -4.380 9.820 -0.570 1.00 0.00 C ATOM 144 CZ TYR A 18 -4.161 9.416 -1.899 1.00 0.00 C ATOM 145 OH TYR A 18 -4.833 8.323 -2.337 1.00 0.00 O ATOM 0 H TYR A 18 -4.673 15.855 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.236 13.177 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.846 14.055 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.277 13.624 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.301 12.035 -3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.092 11.420 0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.205 9.838 -3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.873 9.163 0.131 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.453 8.019 -1.641 1.00 0.00 H new ATOM 146 N HIS A 19 -6.278 12.034 -2.511 1.00 0.00 N ATOM 147 CA HIS A 19 -7.542 11.272 -2.469 1.00 0.00 C ATOM 148 C HIS A 19 -8.068 10.988 -1.042 1.00 0.00 C ATOM 149 O HIS A 19 -8.894 11.743 -0.533 1.00 0.00 O ATOM 150 CB HIS A 19 -7.326 9.975 -3.260 1.00 0.00 C ATOM 151 CG HIS A 19 -6.892 10.221 -4.704 1.00 0.00 C ATOM 152 ND1 HIS A 19 -5.698 9.877 -5.193 1.00 0.00 N flip ATOM 153 CD2 HIS A 19 -7.433 11.068 -5.568 1.00 0.00 C flip ATOM 154 CE1 HIS A 19 -5.503 10.545 -6.316 1.00 0.00 C flip ATOM 155 NE2 HIS A 19 -6.589 11.277 -6.556 1.00 0.00 N flip ATOM 0 H HIS A 19 -5.528 11.499 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.324 11.883 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.571 9.371 -2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.250 9.397 -3.258 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.048 9.213 -4.772 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.411 11.516 -5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.617 10.504 -6.932 1.00 0.00 H new ATOM 156 N TYR A 20 -7.561 9.938 -0.406 1.00 0.00 N ATOM 157 CA TYR A 20 -8.162 9.400 0.832 1.00 0.00 C ATOM 158 C TYR A 20 -7.233 9.085 2.026 1.00 0.00 C ATOM 159 O TYR A 20 -6.446 8.151 1.952 1.00 0.00 O ATOM 160 CB TYR A 20 -9.089 8.210 0.524 1.00 0.00 C ATOM 161 CG TYR A 20 -8.632 7.214 -0.557 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.396 6.516 -0.464 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.446 7.127 -1.703 1.00 0.00 C ATOM 164 CE1 TYR A 20 -6.963 5.742 -1.546 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.032 6.307 -2.775 1.00 0.00 C ATOM 166 CZ TYR A 20 -7.811 5.617 -2.653 1.00 0.00 C ATOM 167 OH TYR A 20 -7.456 4.714 -3.608 1.00 0.00 O ATOM 0 H TYR A 20 -6.732 9.433 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.728 10.255 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.242 7.655 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.059 8.608 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.798 6.583 0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.372 7.679 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.000 5.254 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.636 6.212 -3.665 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.852 4.047 -3.219 1.00 0.00 H new ATOM 168 N GLY A 21 -7.188 10.020 2.969 1.00 0.00 N ATOM 169 CA GLY A 21 -6.752 9.785 4.371 1.00 0.00 C ATOM 170 C GLY A 21 -5.241 9.756 4.667 1.00 0.00 C ATOM 171 O GLY A 21 -4.782 10.182 5.723 1.00 0.00 O ATOM 0 H GLY A 21 -7.456 10.988 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.199 10.561 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.173 8.834 4.696 1.00 0.00 H new ATOM 172 N VAL A 22 -4.501 9.337 3.652 1.00 0.00 N ATOM 173 CA VAL A 22 -3.026 9.171 3.638 1.00 0.00 C ATOM 174 C VAL A 22 -2.435 10.272 2.739 1.00 0.00 C ATOM 175 O VAL A 22 -2.979 11.367 2.600 1.00 0.00 O ATOM 176 CB VAL A 22 -2.798 7.710 3.146 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.328 7.449 1.754 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.408 7.174 2.967 1.00 0.00 C ATOM 0 H VAL A 22 -4.922 9.085 2.758 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.526 9.290 4.599 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.299 7.235 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.134 6.412 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.402 7.635 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.831 8.111 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.458 6.142 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.876 7.779 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.878 7.211 3.919 1.00 0.00 H new ATOM 179 N SER A 23 -1.209 10.006 2.331 1.00 0.00 N ATOM 180 CA SER A 23 -0.637 10.568 1.100 1.00 0.00 C ATOM 181 C SER A 23 -0.372 9.342 0.230 1.00 0.00 C ATOM 182 O SER A 23 0.361 8.446 0.632 1.00 0.00 O ATOM 183 CB SER A 23 0.716 11.229 1.332 1.00 0.00 C ATOM 184 OG SER A 23 0.937 12.092 0.213 1.00 0.00 O ATOM 0 H SER A 23 -0.571 9.393 2.839 1.00 0.00 H new ATOM 0 HA SER A 23 -1.308 11.318 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.719 11.793 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.506 10.482 1.409 1.00 0.00 H new ATOM 0 HG SER A 23 1.190 12.983 0.532 1.00 0.00 H new ATOM 185 N ALA A 24 -1.094 9.213 -0.865 1.00 0.00 N ATOM 186 CA ALA A 24 -0.865 8.040 -1.730 1.00 0.00 C ATOM 187 C ALA A 24 -0.345 8.366 -3.119 1.00 0.00 C ATOM 188 O ALA A 24 -0.749 9.297 -3.811 1.00 0.00 O ATOM 189 CB ALA A 24 -2.026 7.038 -1.809 1.00 0.00 C ATOM 0 H ALA A 24 -1.814 9.863 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.062 7.535 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.753 6.216 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.238 6.648 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.912 7.538 -2.199 1.00 0.00 H new ATOM 190 N CYS A 25 0.362 7.343 -3.529 1.00 0.00 N ATOM 191 CA CYS A 25 0.965 7.157 -4.839 1.00 0.00 C ATOM 192 C CYS A 25 -0.260 6.774 -5.662 1.00 0.00 C ATOM 193 O CYS A 25 -1.193 6.115 -5.218 1.00 0.00 O ATOM 194 CB CYS A 25 1.782 5.883 -4.815 1.00 0.00 C ATOM 195 SG CYS A 25 2.685 5.181 -6.235 1.00 0.00 S ATOM 0 H CYS A 25 0.550 6.553 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 25 1.562 8.006 -5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.524 6.021 -4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.102 5.100 -4.478 1.00 0.00 H new ATOM 0 HG CYS A 25 3.282 4.085 -5.871 1.00 0.00 H new ATOM 196 N GLU A 26 -0.306 7.444 -6.790 1.00 0.00 N ATOM 197 CA GLU A 26 -1.351 7.215 -7.803 1.00 0.00 C ATOM 198 C GLU A 26 -1.353 5.743 -8.258 1.00 0.00 C ATOM 199 O GLU A 26 -2.397 5.094 -8.248 1.00 0.00 O ATOM 200 CB GLU A 26 -1.230 8.238 -8.928 1.00 0.00 C ATOM 201 CG GLU A 26 -1.971 9.529 -8.572 1.00 0.00 C ATOM 202 CD GLU A 26 -1.904 10.533 -9.721 1.00 0.00 C ATOM 203 OE1 GLU A 26 -0.845 11.166 -9.860 1.00 0.00 O ATOM 204 OE2 GLU A 26 -2.924 10.624 -10.443 1.00 0.00 O ATOM 0 H GLU A 26 0.370 8.164 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.338 7.377 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.179 8.457 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.638 7.822 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.012 9.303 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.534 9.968 -7.675 1.00 0.00 H new ATOM 205 N GLY A 27 -0.135 5.177 -8.292 1.00 0.00 N ATOM 206 CA GLY A 27 0.118 3.727 -8.279 1.00 0.00 C ATOM 207 C GLY A 27 -0.542 3.013 -7.081 1.00 0.00 C ATOM 208 O GLY A 27 -1.372 2.139 -7.302 1.00 0.00 O ATOM 0 H GLY A 27 0.722 5.729 -8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.254 3.290 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.193 3.551 -8.253 1.00 0.00 H new ATOM 209 N CYS A 28 -0.273 3.459 -5.844 1.00 0.00 N ATOM 210 CA CYS A 28 -0.885 2.863 -4.635 1.00 0.00 C ATOM 211 C CYS A 28 -2.398 2.937 -4.591 1.00 0.00 C ATOM 212 O CYS A 28 -3.019 1.903 -4.392 1.00 0.00 O ATOM 213 CB CYS A 28 -0.370 3.367 -3.295 1.00 0.00 C ATOM 214 SG CYS A 28 1.401 3.051 -2.961 1.00 0.00 S ATOM 0 H CYS A 28 0.364 4.231 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.560 1.830 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.546 4.441 -3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.959 2.905 -2.502 1.00 0.00 H new ATOM 0 HG CYS A 28 1.853 3.945 -2.132 1.00 0.00 H new ATOM 215 N LYS A 29 -2.974 4.099 -4.827 1.00 0.00 N ATOM 216 CA LYS A 29 -4.434 4.300 -4.983 1.00 0.00 C ATOM 217 C LYS A 29 -5.050 3.298 -5.992 1.00 0.00 C ATOM 218 O LYS A 29 -6.024 2.608 -5.682 1.00 0.00 O ATOM 219 CB LYS A 29 -4.532 5.761 -5.464 1.00 0.00 C ATOM 220 CG LYS A 29 -5.945 6.331 -5.610 1.00 0.00 C ATOM 221 CD LYS A 29 -6.621 5.979 -6.943 1.00 0.00 C ATOM 222 CE LYS A 29 -8.156 6.071 -6.841 1.00 0.00 C ATOM 223 NZ LYS A 29 -8.697 4.921 -6.096 1.00 0.00 N ATOM 0 H LYS A 29 -2.441 4.964 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.995 4.123 -4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.980 6.389 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.030 5.839 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.562 5.961 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.901 7.416 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.266 6.655 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.335 4.970 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.438 6.999 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.591 6.101 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.634 5.164 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.783 4.104 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.056 4.683 -5.312 1.00 0.00 H new ATOM 224 N GLY A 30 -4.392 3.159 -7.147 1.00 0.00 N ATOM 225 CA GLY A 30 -4.707 2.139 -8.185 1.00 0.00 C ATOM 226 C GLY A 30 -4.657 0.711 -7.620 1.00 0.00 C ATOM 227 O GLY A 30 -5.699 0.060 -7.499 1.00 0.00 O ATOM 0 H GLY A 30 -3.608 3.758 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.698 2.333 -8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.998 2.228 -9.008 1.00 0.00 H new ATOM 228 N PHE A 31 -3.506 0.366 -7.046 1.00 0.00 N ATOM 229 CA PHE A 31 -3.258 -0.900 -6.317 1.00 0.00 C ATOM 230 C PHE A 31 -4.288 -1.218 -5.222 1.00 0.00 C ATOM 231 O PHE A 31 -4.735 -2.361 -5.081 1.00 0.00 O ATOM 232 CB PHE A 31 -1.823 -0.747 -5.774 1.00 0.00 C ATOM 233 CG PHE A 31 -1.418 -1.622 -4.592 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.723 -1.130 -3.294 1.00 0.00 C ATOM 235 CD2 PHE A 31 -0.888 -2.930 -4.757 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.579 -1.950 -2.181 1.00 0.00 C ATOM 237 CE2 PHE A 31 -0.704 -3.748 -3.630 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.097 -3.272 -2.351 1.00 0.00 C ATOM 0 H PHE A 31 -2.686 0.972 -7.070 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.365 -1.761 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.131 -0.947 -6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.683 0.294 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.068 -0.114 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.629 -3.292 -5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.832 -1.584 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.268 -4.730 -3.735 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.028 -3.927 -1.495 1.00 0.00 H new ATOM 239 N PHE A 32 -4.757 -0.152 -4.588 1.00 0.00 N ATOM 240 CA PHE A 32 -5.518 -0.192 -3.326 1.00 0.00 C ATOM 241 C PHE A 32 -6.901 -0.755 -3.666 1.00 0.00 C ATOM 242 O PHE A 32 -7.213 -1.872 -3.261 1.00 0.00 O ATOM 243 CB PHE A 32 -5.472 1.256 -2.805 1.00 0.00 C ATOM 244 CG PHE A 32 -5.180 1.340 -1.330 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.059 0.625 -0.836 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.142 1.881 -0.464 1.00 0.00 C ATOM 247 CE1 PHE A 32 -3.965 0.352 0.543 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.075 1.566 0.883 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.016 0.782 1.374 1.00 0.00 C ATOM 0 H PHE A 32 -4.620 0.796 -4.939 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.135 -0.835 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.710 1.810 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.427 1.741 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.284 0.293 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.919 2.530 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.112 -0.171 0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.838 1.924 1.558 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.009 0.502 2.417 1.00 0.00 H new ATOM 250 N ARG A 33 -7.552 -0.136 -4.652 1.00 0.00 N ATOM 251 CA ARG A 33 -8.770 -0.720 -5.246 1.00 0.00 C ATOM 252 C ARG A 33 -8.575 -2.021 -6.009 1.00 0.00 C ATOM 253 O ARG A 33 -9.322 -2.987 -5.805 1.00 0.00 O ATOM 254 CB ARG A 33 -9.582 0.258 -6.091 1.00 0.00 C ATOM 255 CG ARG A 33 -8.879 0.989 -7.236 1.00 0.00 C ATOM 256 CD ARG A 33 -9.969 1.667 -8.078 1.00 0.00 C ATOM 257 NE ARG A 33 -10.691 2.691 -7.287 1.00 0.00 N ATOM 258 CZ ARG A 33 -10.977 3.940 -7.657 1.00 0.00 C ATOM 259 NH1 ARG A 33 -10.663 4.439 -8.842 1.00 0.00 N ATOM 260 NH2 ARG A 33 -11.555 4.731 -6.762 1.00 0.00 N ATOM 0 H ARG A 33 -7.267 0.756 -5.056 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.346 -0.967 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.424 -0.289 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.996 1.011 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.177 1.727 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.303 0.290 -7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.519 2.131 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.674 0.918 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.004 2.410 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.177 3.860 -9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.907 5.403 -9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.765 4.377 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.789 5.693 -7.007 1.00 0.00 H new ATOM 261 N ARG A 34 -7.470 -2.104 -6.728 1.00 0.00 N ATOM 262 CA ARG A 34 -7.162 -3.281 -7.535 1.00 0.00 C ATOM 263 C ARG A 34 -7.156 -4.593 -6.758 1.00 0.00 C ATOM 264 O ARG A 34 -7.718 -5.592 -7.208 1.00 0.00 O ATOM 265 CB ARG A 34 -5.820 -3.066 -8.262 1.00 0.00 C ATOM 266 CG ARG A 34 -5.433 -4.121 -9.307 1.00 0.00 C ATOM 267 CD ARG A 34 -4.293 -5.031 -8.843 1.00 0.00 C ATOM 268 NE ARG A 34 -4.785 -6.105 -7.965 1.00 0.00 N ATOM 269 CZ ARG A 34 -4.120 -6.731 -6.998 1.00 0.00 C ATOM 270 NH1 ARG A 34 -2.881 -6.397 -6.633 1.00 0.00 N ATOM 271 NH2 ARG A 34 -4.640 -7.841 -6.514 1.00 0.00 N ATOM 0 H ARG A 34 -6.765 -1.368 -6.772 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.972 -3.385 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.850 -2.093 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.029 -3.021 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.306 -4.731 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.139 -3.620 -10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.798 -5.467 -9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.546 -4.440 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.748 -6.404 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.400 -5.629 -7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.414 -6.909 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.524 -8.193 -6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.158 -8.348 -5.772 1.00 0.00 H new ATOM 272 N SER A 35 -6.616 -4.519 -5.549 1.00 0.00 N ATOM 273 CA SER A 35 -6.891 -5.552 -4.550 1.00 0.00 C ATOM 274 C SER A 35 -8.288 -5.406 -3.944 1.00 0.00 C ATOM 275 O SER A 35 -9.225 -6.015 -4.428 1.00 0.00 O ATOM 276 CB SER A 35 -5.812 -5.552 -3.505 1.00 0.00 C ATOM 277 OG SER A 35 -4.619 -6.168 -4.013 1.00 0.00 O ATOM 0 H SER A 35 -5.996 -3.771 -5.237 1.00 0.00 H new ATOM 0 HA SER A 35 -6.883 -6.523 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.597 -4.529 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.155 -6.087 -2.619 1.00 0.00 H new ATOM 0 HG SER A 35 -4.703 -7.143 -3.954 1.00 0.00 H new ATOM 278 N ILE A 36 -8.456 -4.394 -3.096 1.00 0.00 N ATOM 279 CA ILE A 36 -9.591 -4.346 -2.157 1.00 0.00 C ATOM 280 C ILE A 36 -10.971 -4.407 -2.798 1.00 0.00 C ATOM 281 O ILE A 36 -11.698 -5.376 -2.572 1.00 0.00 O ATOM 282 CB ILE A 36 -9.505 -3.169 -1.189 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.175 -3.252 -0.457 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.596 -3.099 -0.126 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.794 -1.856 0.009 1.00 0.00 C ATOM 0 H ILE A 36 -7.826 -3.594 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.485 -5.273 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.622 -2.280 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.253 -3.928 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.405 -3.655 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.435 -2.224 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.570 -3.024 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.564 -3.999 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.841 -1.896 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.703 -1.196 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.564 -1.473 0.679 1.00 0.00 H new ATOM 286 N GLN A 37 -11.145 -3.556 -3.795 1.00 0.00 N ATOM 287 CA GLN A 37 -12.454 -3.278 -4.372 1.00 0.00 C ATOM 288 C GLN A 37 -13.092 -4.523 -5.032 1.00 0.00 C ATOM 289 O GLN A 37 -14.299 -4.587 -5.253 1.00 0.00 O ATOM 290 CB GLN A 37 -12.206 -2.181 -5.397 1.00 0.00 C ATOM 291 CG GLN A 37 -13.503 -1.502 -5.807 1.00 0.00 C ATOM 292 CD GLN A 37 -13.214 -0.347 -6.779 1.00 0.00 C ATOM 293 OE1 GLN A 37 -12.638 -0.635 -7.926 1.00 0.00 O flip ATOM 294 NE2 GLN A 37 -13.462 0.821 -6.499 1.00 0.00 N flip ATOM 0 H GLN A 37 -10.383 -3.036 -4.230 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.164 -2.977 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.522 -1.441 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.722 -2.605 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.168 -2.226 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.019 -1.124 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.909 1.049 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.222 1.565 -7.154 1.00 0.00 H new ATOM 295 N LYS A 38 -12.186 -5.329 -5.561 1.00 0.00 N ATOM 296 CA LYS A 38 -12.450 -6.517 -6.386 1.00 0.00 C ATOM 297 C LYS A 38 -11.778 -7.847 -5.953 1.00 0.00 C ATOM 298 O LYS A 38 -12.466 -8.807 -5.613 1.00 0.00 O ATOM 299 CB LYS A 38 -12.115 -6.081 -7.818 1.00 0.00 C ATOM 300 CG LYS A 38 -10.733 -5.429 -7.995 1.00 0.00 C ATOM 301 CD LYS A 38 -10.616 -4.651 -9.311 1.00 0.00 C ATOM 302 CE LYS A 38 -11.052 -3.192 -9.172 1.00 0.00 C ATOM 303 NZ LYS A 38 -12.493 -3.049 -8.882 1.00 0.00 N ATOM 0 H LYS A 38 -11.188 -5.171 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.493 -6.812 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.175 -6.953 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.877 -5.378 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.543 -4.755 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.964 -6.201 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.584 -4.686 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.226 -5.138 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.477 -2.721 -8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.817 -2.658 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.735 -2.040 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.046 -3.488 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.714 -3.518 -7.981 1.00 0.00 H new ATOM 304 N ASN A 39 -10.449 -7.869 -5.988 1.00 0.00 N ATOM 305 CA ASN A 39 -9.649 -9.102 -5.907 1.00 0.00 C ATOM 306 C ASN A 39 -8.521 -9.169 -4.844 1.00 0.00 C ATOM 307 O ASN A 39 -7.373 -9.532 -5.115 1.00 0.00 O ATOM 308 CB ASN A 39 -9.205 -9.499 -7.325 1.00 0.00 C ATOM 309 CG ASN A 39 -8.344 -8.475 -8.063 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.185 -8.232 -7.773 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.872 -7.953 -9.153 1.00 0.00 N ATOM 0 H ASN A 39 -9.884 -7.024 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.316 -9.859 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.650 -10.435 -7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.095 -9.695 -7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.311 -7.347 -9.752 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.841 -8.155 -9.397 1.00 0.00 H new ATOM 312 N MET A 40 -8.905 -8.964 -3.584 1.00 0.00 N ATOM 313 CA MET A 40 -7.985 -9.160 -2.446 1.00 0.00 C ATOM 314 C MET A 40 -8.231 -10.416 -1.616 1.00 0.00 C ATOM 315 O MET A 40 -8.434 -10.453 -0.398 1.00 0.00 O ATOM 316 CB MET A 40 -8.020 -7.939 -1.563 1.00 0.00 C ATOM 317 CG MET A 40 -9.433 -7.597 -1.076 1.00 0.00 C ATOM 318 SD MET A 40 -9.874 -8.044 0.647 1.00 0.00 S ATOM 319 CE MET A 40 -9.278 -6.611 1.506 1.00 0.00 C ATOM 0 H MET A 40 -9.843 -8.663 -3.318 1.00 0.00 H new ATOM 0 HA MET A 40 -6.998 -9.306 -2.885 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.373 -8.101 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.614 -7.089 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.576 -6.523 -1.190 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.144 -8.086 -1.742 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.855 -6.911 2.465 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.510 -6.121 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.103 -5.919 1.674 1.00 0.00 H new ATOM 320 N ILE A 41 -7.809 -11.448 -2.307 1.00 0.00 N ATOM 321 CA ILE A 41 -7.818 -12.788 -1.732 1.00 0.00 C ATOM 322 C ILE A 41 -6.354 -13.270 -1.734 1.00 0.00 C ATOM 323 O ILE A 41 -5.803 -13.691 -2.748 1.00 0.00 O ATOM 324 CB ILE A 41 -8.846 -13.642 -2.496 1.00 0.00 C ATOM 325 CG1 ILE A 41 -10.251 -13.198 -2.084 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.647 -15.154 -2.255 1.00 0.00 C ATOM 327 CD1 ILE A 41 -11.363 -13.641 -3.035 1.00 0.00 C ATOM 0 H ILE A 41 -7.456 -11.395 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.153 -12.848 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.705 -13.486 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.464 -13.589 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.267 -12.111 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.396 -15.713 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.651 -15.447 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.753 -15.370 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.323 -13.282 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.180 -13.228 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.380 -14.729 -3.093 1.00 0.00 H new ATOM 328 N TYR A 42 -5.723 -12.915 -0.618 1.00 0.00 N ATOM 329 CA TYR A 42 -4.270 -12.652 -0.531 1.00 0.00 C ATOM 330 C TYR A 42 -3.483 -13.227 0.659 1.00 0.00 C ATOM 331 O TYR A 42 -2.725 -14.168 0.472 1.00 0.00 O ATOM 332 CB TYR A 42 -4.050 -11.142 -0.749 1.00 0.00 C ATOM 333 CG TYR A 42 -4.822 -10.090 0.046 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.690 -10.320 1.133 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.561 -8.792 -0.402 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.277 -9.214 1.784 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.118 -7.678 0.242 1.00 0.00 C ATOM 338 CZ TYR A 42 -5.956 -7.908 1.352 1.00 0.00 C ATOM 339 OH TYR A 42 -6.196 -6.865 2.192 1.00 0.00 O ATOM 0 H TYR A 42 -6.206 -12.797 0.273 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.816 -13.245 -1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.991 -10.950 -0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.244 -10.945 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.902 -11.326 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.920 -8.645 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.964 -9.364 2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.911 -6.675 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.345 -6.509 2.523 1.00 0.00 H new ATOM 340 N THR A 43 -3.662 -12.633 1.844 1.00 0.00 N ATOM 341 CA THR A 43 -2.867 -12.827 3.080 1.00 0.00 C ATOM 342 C THR A 43 -1.702 -13.838 3.027 1.00 0.00 C ATOM 343 O THR A 43 -1.783 -14.954 3.536 1.00 0.00 O ATOM 344 CB THR A 43 -3.853 -13.066 4.236 1.00 0.00 C ATOM 345 OG1 THR A 43 -4.847 -12.033 4.184 1.00 0.00 O ATOM 346 CG2 THR A 43 -3.174 -13.022 5.621 1.00 0.00 C ATOM 0 H THR A 43 -4.414 -11.958 1.983 1.00 0.00 H new ATOM 0 HA THR A 43 -2.297 -11.911 3.237 1.00 0.00 H new ATOM 0 HB THR A 43 -4.280 -14.061 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.452 -11.184 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.919 -13.197 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.406 -13.794 5.674 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.717 -12.044 5.771 1.00 0.00 H new ATOM 347 N CYS A 44 -0.557 -13.438 2.474 1.00 0.00 N ATOM 348 CA CYS A 44 -0.250 -12.068 1.978 1.00 0.00 C ATOM 349 C CYS A 44 -0.316 -11.807 0.452 1.00 0.00 C ATOM 350 O CYS A 44 -0.807 -10.745 0.068 1.00 0.00 O ATOM 351 CB CYS A 44 1.009 -11.516 2.688 1.00 0.00 C ATOM 352 SG CYS A 44 2.085 -10.404 1.717 1.00 0.00 S ATOM 0 H CYS A 44 0.227 -14.078 2.347 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.110 -11.467 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.687 -10.982 3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.609 -12.363 3.021 1.00 0.00 H new ATOM 0 HG CYS A 44 3.182 -10.177 2.376 1.00 0.00 H new ATOM 353 N HIS A 45 0.300 -12.587 -0.440 1.00 0.00 N ATOM 354 CA HIS A 45 1.300 -13.634 -0.166 1.00 0.00 C ATOM 355 C HIS A 45 2.566 -13.512 -1.027 1.00 0.00 C ATOM 356 O HIS A 45 2.574 -13.812 -2.222 1.00 0.00 O ATOM 357 CB HIS A 45 0.649 -15.024 -0.318 1.00 0.00 C ATOM 358 CG HIS A 45 1.442 -16.041 0.508 1.00 0.00 C ATOM 359 ND1 HIS A 45 1.356 -16.256 1.825 1.00 0.00 N flip ATOM 360 CD2 HIS A 45 2.448 -16.782 0.046 1.00 0.00 C flip ATOM 361 CE1 HIS A 45 2.305 -17.115 2.157 1.00 0.00 C flip ATOM 362 NE2 HIS A 45 2.983 -17.443 1.062 1.00 0.00 N flip ATOM 0 H HIS A 45 0.104 -12.502 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 45 1.636 -13.499 0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.387 -14.993 0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.635 -15.320 -1.367 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.773 -16.835 -0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.497 -17.488 3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.772 -18.087 1.013 1.00 0.00 H new ATOM 363 N ARG A 46 3.511 -12.779 -0.447 1.00 0.00 N ATOM 364 CA ARG A 46 4.895 -13.258 -0.519 1.00 0.00 C ATOM 365 C ARG A 46 5.178 -13.764 0.918 1.00 0.00 C ATOM 366 O ARG A 46 5.206 -14.959 1.190 1.00 0.00 O ATOM 367 CB ARG A 46 5.982 -12.248 -0.921 1.00 0.00 C ATOM 368 CG ARG A 46 5.867 -11.649 -2.325 1.00 0.00 C ATOM 369 CD ARG A 46 7.251 -11.139 -2.747 1.00 0.00 C ATOM 370 NE ARG A 46 7.200 -10.232 -3.905 1.00 0.00 N ATOM 371 CZ ARG A 46 8.223 -9.819 -4.652 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.465 -10.248 -4.468 1.00 0.00 N ATOM 373 NH2 ARG A 46 8.027 -8.885 -5.564 1.00 0.00 N ATOM 0 H ARG A 46 3.364 -11.901 0.051 1.00 0.00 H new ATOM 0 HA ARG A 46 4.956 -13.994 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.974 -11.431 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.952 -12.738 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.508 -12.399 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.144 -10.834 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.713 -10.621 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.888 -11.990 -2.987 1.00 0.00 H new ATOM 0 HE ARG A 46 6.278 -9.880 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.668 -10.922 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.217 -9.904 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.098 -8.485 -5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.805 -8.563 -6.140 1.00 0.00 H new ATOM 374 N ASP A 47 5.429 -12.795 1.791 1.00 0.00 N ATOM 375 CA ASP A 47 5.326 -12.891 3.253 1.00 0.00 C ATOM 376 C ASP A 47 4.663 -11.580 3.727 1.00 0.00 C ATOM 377 O ASP A 47 4.741 -10.572 3.021 1.00 0.00 O ATOM 378 CB ASP A 47 6.702 -13.166 3.887 1.00 0.00 C ATOM 379 CG ASP A 47 7.832 -12.182 3.550 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.507 -10.987 3.329 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.988 -12.632 3.485 1.00 0.00 O ATOM 0 H ASP A 47 5.727 -11.868 1.487 1.00 0.00 H new ATOM 0 HA ASP A 47 4.713 -13.735 3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.579 -13.183 4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.021 -14.164 3.586 1.00 0.00 H new ATOM 382 N LYS A 48 4.352 -11.487 5.009 1.00 0.00 N ATOM 383 CA LYS A 48 3.665 -10.293 5.546 1.00 0.00 C ATOM 384 C LYS A 48 4.643 -9.256 6.147 1.00 0.00 C ATOM 385 O LYS A 48 4.229 -8.260 6.750 1.00 0.00 O ATOM 386 CB LYS A 48 2.530 -10.672 6.501 1.00 0.00 C ATOM 387 CG LYS A 48 2.888 -11.761 7.517 1.00 0.00 C ATOM 388 CD LYS A 48 1.626 -12.356 8.156 1.00 0.00 C ATOM 389 CE LYS A 48 0.833 -13.230 7.164 1.00 0.00 C ATOM 390 NZ LYS A 48 -0.422 -13.667 7.788 1.00 0.00 N ATOM 0 H LYS A 48 4.556 -12.208 5.702 1.00 0.00 H new ATOM 0 HA LYS A 48 3.200 -9.790 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.214 -9.779 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.676 -11.008 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.456 -12.550 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.530 -11.343 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.906 -12.955 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.989 -11.550 8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.622 -12.667 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.427 -14.096 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.916 -14.324 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.214 -14.146 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.026 -12.840 7.968 1.00 0.00 H new ATOM 391 N ASN A 49 5.915 -9.403 5.769 1.00 0.00 N ATOM 392 CA ASN A 49 7.024 -8.439 5.965 1.00 0.00 C ATOM 393 C ASN A 49 7.686 -8.005 4.627 1.00 0.00 C ATOM 394 O ASN A 49 8.869 -7.697 4.544 1.00 0.00 O ATOM 395 CB ASN A 49 8.044 -9.089 6.909 1.00 0.00 C ATOM 396 CG ASN A 49 8.630 -10.398 6.347 1.00 0.00 C ATOM 397 OD1 ASN A 49 7.990 -11.442 6.323 1.00 0.00 O ATOM 398 ND2 ASN A 49 9.740 -10.290 5.651 1.00 0.00 N ATOM 0 H ASN A 49 6.227 -10.246 5.288 1.00 0.00 H new ATOM 0 HA ASN A 49 6.629 -7.522 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.855 -8.386 7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.567 -9.292 7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.069 -11.076 5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.272 -9.420 5.672 1.00 0.00 H new ATOM 399 N CYS A 50 6.880 -8.074 3.562 1.00 0.00 N ATOM 400 CA CYS A 50 7.226 -7.789 2.157 1.00 0.00 C ATOM 401 C CYS A 50 7.281 -6.256 2.052 1.00 0.00 C ATOM 402 O CYS A 50 6.291 -5.585 2.336 1.00 0.00 O ATOM 403 CB CYS A 50 6.023 -8.379 1.414 1.00 0.00 C ATOM 404 SG CYS A 50 5.947 -8.744 -0.370 1.00 0.00 S ATOM 0 H CYS A 50 5.903 -8.348 3.661 1.00 0.00 H new ATOM 0 HA CYS A 50 8.166 -8.189 1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.796 -9.319 1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.192 -7.702 1.613 1.00 0.00 H new ATOM 0 HG CYS A 50 6.173 -7.656 -1.045 1.00 0.00 H new ATOM 405 N VAL A 51 8.439 -5.728 1.635 1.00 0.00 N ATOM 406 CA VAL A 51 8.893 -4.362 1.969 1.00 0.00 C ATOM 407 C VAL A 51 8.955 -3.490 0.724 1.00 0.00 C ATOM 408 O VAL A 51 9.563 -3.894 -0.275 1.00 0.00 O ATOM 409 CB VAL A 51 10.364 -4.404 2.403 1.00 0.00 C ATOM 410 CG1 VAL A 51 10.783 -3.097 3.077 1.00 0.00 C ATOM 411 CG2 VAL A 51 10.704 -5.490 3.376 1.00 0.00 C ATOM 0 H VAL A 51 9.099 -6.240 1.049 1.00 0.00 H new ATOM 0 HA VAL A 51 8.205 -3.986 2.726 1.00 0.00 H new ATOM 0 HB VAL A 51 10.894 -4.586 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.830 -3.159 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.651 -2.270 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.166 -2.929 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.764 -5.439 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.114 -5.363 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.482 -6.460 2.931 1.00 0.00 H new ATOM 412 N ILE A 52 8.564 -2.234 0.906 1.00 0.00 N ATOM 413 CA ILE A 52 8.874 -1.212 -0.099 1.00 0.00 C ATOM 414 C ILE A 52 9.437 0.133 0.367 1.00 0.00 C ATOM 415 O ILE A 52 9.103 1.200 -0.152 1.00 0.00 O ATOM 416 CB ILE A 52 7.873 -0.988 -1.236 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.647 -1.888 -1.396 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.749 -0.913 -2.488 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.897 -3.391 -1.532 1.00 0.00 C ATOM 0 H ILE A 52 8.044 -1.899 1.717 1.00 0.00 H new ATOM 0 HA ILE A 52 9.714 -1.766 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 52 7.313 -0.084 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.997 -1.730 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.097 -1.556 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.120 -0.753 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.453 -0.086 -2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.300 -1.847 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.944 -3.910 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.513 -3.579 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.412 -3.756 -0.643 1.00 0.00 H new ATOM 420 N ASN A 53 10.486 0.025 1.173 1.00 0.00 N ATOM 421 CA ASN A 53 11.284 1.203 1.559 1.00 0.00 C ATOM 422 C ASN A 53 12.810 1.026 1.480 1.00 0.00 C ATOM 423 O ASN A 53 13.394 0.120 2.059 1.00 0.00 O ATOM 424 CB ASN A 53 10.903 1.791 2.915 1.00 0.00 C ATOM 425 CG ASN A 53 11.136 0.833 4.074 1.00 0.00 C ATOM 426 OD1 ASN A 53 10.373 -0.068 4.364 1.00 0.00 O ATOM 427 ND2 ASN A 53 12.311 0.966 4.661 1.00 0.00 N ATOM 0 H ASN A 53 10.810 -0.855 1.574 1.00 0.00 H new ATOM 0 HA ASN A 53 11.012 1.917 0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.479 2.701 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.852 2.078 2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.600 0.302 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.930 1.733 4.396 1.00 0.00 H new ATOM 428 N LYS A 54 13.444 1.710 0.542 1.00 0.00 N ATOM 429 CA LYS A 54 13.220 1.533 -0.912 1.00 0.00 C ATOM 430 C LYS A 54 14.512 1.009 -1.555 1.00 0.00 C ATOM 431 O LYS A 54 15.213 1.639 -2.343 1.00 0.00 O ATOM 432 CB LYS A 54 12.667 2.786 -1.592 1.00 0.00 C ATOM 433 CG LYS A 54 13.235 4.069 -0.981 1.00 0.00 C ATOM 434 CD LYS A 54 13.016 5.313 -1.848 1.00 0.00 C ATOM 435 CE LYS A 54 13.414 6.558 -1.072 1.00 0.00 C ATOM 436 NZ LYS A 54 12.448 6.800 0.007 1.00 0.00 N ATOM 0 H LYS A 54 14.144 2.420 0.757 1.00 0.00 H new ATOM 0 HA LYS A 54 12.436 0.790 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.904 2.755 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.580 2.795 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.776 4.231 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.304 3.938 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.606 5.239 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.970 5.379 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.414 6.435 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.450 7.418 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.544 7.778 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.483 6.651 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.632 6.142 0.791 1.00 0.00 H new ATOM 437 N VAL A 55 14.841 -0.129 -0.983 1.00 0.00 N ATOM 438 CA VAL A 55 16.028 -0.997 -1.170 1.00 0.00 C ATOM 439 C VAL A 55 15.611 -2.371 -1.771 1.00 0.00 C ATOM 440 O VAL A 55 16.433 -3.156 -2.250 1.00 0.00 O ATOM 441 CB VAL A 55 16.495 -1.145 0.292 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.343 -2.368 0.618 1.00 0.00 C ATOM 443 CG2 VAL A 55 17.143 0.145 0.810 1.00 0.00 C ATOM 0 H VAL A 55 14.217 -0.535 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 55 16.785 -0.608 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 55 15.568 -1.329 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 55 17.607 -2.356 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.778 -3.273 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.252 -2.351 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.460 0.004 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.009 0.389 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.421 0.960 0.760 1.00 0.00 H new ATOM 444 N THR A 56 14.315 -2.459 -1.970 1.00 0.00 N ATOM 445 CA THR A 56 13.455 -3.591 -1.580 1.00 0.00 C ATOM 446 C THR A 56 12.714 -4.274 -2.735 1.00 0.00 C ATOM 447 O THR A 56 13.267 -4.542 -3.805 1.00 0.00 O ATOM 448 CB THR A 56 12.440 -2.893 -0.645 1.00 0.00 C ATOM 449 OG1 THR A 56 11.841 -1.753 -1.254 1.00 0.00 O ATOM 450 CG2 THR A 56 13.045 -2.551 0.691 1.00 0.00 C ATOM 0 H THR A 56 13.791 -1.714 -2.430 1.00 0.00 H new ATOM 0 HA THR A 56 14.039 -4.403 -1.146 1.00 0.00 H new ATOM 0 HB THR A 56 11.642 -3.614 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.395 -2.022 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.297 -2.063 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.386 -3.463 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.891 -1.879 0.546 1.00 0.00 H new ATOM 451 N ARG A 57 11.451 -4.589 -2.429 1.00 0.00 N ATOM 452 CA ARG A 57 10.360 -5.021 -3.307 1.00 0.00 C ATOM 453 C ARG A 57 10.578 -6.393 -3.985 1.00 0.00 C ATOM 454 O ARG A 57 10.882 -6.491 -5.177 1.00 0.00 O ATOM 455 CB ARG A 57 9.771 -3.820 -3.998 1.00 0.00 C ATOM 456 CG ARG A 57 10.568 -3.221 -5.178 1.00 0.00 C ATOM 457 CD ARG A 57 11.077 -1.795 -4.962 1.00 0.00 C ATOM 458 NE ARG A 57 12.526 -1.790 -4.664 1.00 0.00 N ATOM 459 CZ ARG A 57 13.274 -0.711 -4.449 1.00 0.00 C ATOM 460 NH1 ARG A 57 12.790 0.517 -4.417 1.00 0.00 N ATOM 461 NH2 ARG A 57 14.595 -0.835 -4.400 1.00 0.00 N ATOM 0 H ARG A 57 11.136 -4.543 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 57 9.481 -5.386 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.781 -4.093 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.631 -3.037 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.421 -3.867 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.936 -3.234 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.883 -1.197 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.531 -1.331 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 57 12.994 -2.695 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.793 0.676 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.413 1.307 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.026 -1.751 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.178 -0.015 -4.236 1.00 0.00 H new ATOM 462 N ASN A 58 10.222 -7.482 -3.294 1.00 0.00 N ATOM 463 CA ASN A 58 9.453 -7.607 -2.019 1.00 0.00 C ATOM 464 C ASN A 58 8.056 -6.943 -2.077 1.00 0.00 C ATOM 465 O ASN A 58 7.563 -6.392 -1.093 1.00 0.00 O ATOM 466 CB ASN A 58 10.197 -7.186 -0.733 1.00 0.00 C ATOM 467 CG ASN A 58 11.553 -7.863 -0.538 1.00 0.00 C ATOM 468 OD1 ASN A 58 12.598 -7.292 -0.766 1.00 0.00 O ATOM 469 ND2 ASN A 58 11.551 -9.069 -0.007 1.00 0.00 N ATOM 0 H ASN A 58 10.487 -8.405 -3.639 1.00 0.00 H new ATOM 0 HA ASN A 58 9.324 -8.686 -1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.343 -6.106 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.566 -7.410 0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.433 -9.530 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.667 -9.542 0.181 1.00 0.00 H new ATOM 470 N ARG A 59 7.431 -7.019 -3.255 1.00 0.00 N ATOM 471 CA ARG A 59 6.175 -6.339 -3.530 1.00 0.00 C ATOM 472 C ARG A 59 5.089 -7.378 -3.851 1.00 0.00 C ATOM 473 O ARG A 59 5.231 -8.271 -4.686 1.00 0.00 O ATOM 474 CB ARG A 59 6.267 -5.349 -4.687 1.00 0.00 C ATOM 475 CG ARG A 59 4.997 -4.603 -5.148 1.00 0.00 C ATOM 476 CD ARG A 59 4.378 -3.736 -4.048 1.00 0.00 C ATOM 477 NE ARG A 59 3.343 -2.843 -4.581 1.00 0.00 N ATOM 478 CZ ARG A 59 2.773 -1.826 -3.935 1.00 0.00 C ATOM 479 NH1 ARG A 59 3.080 -1.514 -2.679 1.00 0.00 N ATOM 480 NH2 ARG A 59 1.965 -0.990 -4.584 1.00 0.00 N ATOM 0 H ARG A 59 7.788 -7.558 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 59 5.925 -5.770 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.008 -4.597 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.661 -5.888 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.243 -3.974 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.259 -5.330 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.946 -4.377 -3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.158 -3.144 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 59 3.030 -3.017 -5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.776 -2.062 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.619 -0.727 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.781 -1.127 -5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.530 -0.213 -4.087 1.00 0.00 H new ATOM 481 N CYS A 60 3.979 -7.123 -3.190 1.00 0.00 N ATOM 482 CA CYS A 60 2.794 -8.000 -3.175 1.00 0.00 C ATOM 483 C CYS A 60 1.606 -7.144 -2.696 1.00 0.00 C ATOM 484 O CYS A 60 1.771 -5.967 -2.374 1.00 0.00 O ATOM 485 CB CYS A 60 3.093 -9.072 -2.136 1.00 0.00 C ATOM 486 SG CYS A 60 1.875 -10.402 -1.895 1.00 0.00 S ATOM 0 H CYS A 60 3.858 -6.280 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 60 2.568 -8.441 -4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.044 -9.535 -2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.237 -8.575 -1.177 1.00 0.00 H new ATOM 0 HG CYS A 60 1.781 -10.680 -0.629 1.00 0.00 H new ATOM 487 N GLN A 61 0.475 -7.804 -2.493 1.00 0.00 N ATOM 488 CA GLN A 61 -0.743 -7.124 -2.031 1.00 0.00 C ATOM 489 C GLN A 61 -0.787 -6.794 -0.540 1.00 0.00 C ATOM 490 O GLN A 61 -0.274 -5.759 -0.126 1.00 0.00 O ATOM 491 CB GLN A 61 -2.003 -7.915 -2.409 1.00 0.00 C ATOM 492 CG GLN A 61 -2.053 -8.477 -3.831 1.00 0.00 C ATOM 493 CD GLN A 61 -3.193 -9.497 -3.967 1.00 0.00 C ATOM 494 OE1 GLN A 61 -4.419 -9.014 -4.040 1.00 0.00 O flip ATOM 495 NE2 GLN A 61 -2.986 -10.697 -3.918 1.00 0.00 N flip ATOM 0 H GLN A 61 0.368 -8.808 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.717 -6.167 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.108 -8.745 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.868 -7.267 -2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.197 -7.665 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.102 -8.951 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.030 -11.048 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.769 -11.351 -3.933 1.00 0.00 H new ATOM 496 N TYR A 62 -1.224 -7.752 0.269 1.00 0.00 N ATOM 497 CA TYR A 62 -1.661 -7.512 1.653 1.00 0.00 C ATOM 498 C TYR A 62 -0.632 -6.797 2.514 1.00 0.00 C ATOM 499 O TYR A 62 -0.885 -5.667 2.866 1.00 0.00 O ATOM 500 CB TYR A 62 -2.092 -8.872 2.217 1.00 0.00 C ATOM 501 CG TYR A 62 -2.448 -8.903 3.711 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.442 -9.255 4.642 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.797 -8.779 4.092 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.815 -9.533 5.973 1.00 0.00 C ATOM 505 CE2 TYR A 62 -4.172 -9.047 5.422 1.00 0.00 C ATOM 506 CZ TYR A 62 -3.173 -9.444 6.344 1.00 0.00 C ATOM 507 OH TYR A 62 -3.553 -9.908 7.561 1.00 0.00 O ATOM 0 H TYR A 62 -1.288 -8.730 -0.014 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.497 -6.813 1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.956 -9.219 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.288 -9.587 2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.407 -9.310 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.540 -8.480 3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.068 -9.811 6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.202 -8.952 5.733 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.518 -9.778 7.674 1.00 0.00 H new ATOM 508 N CYS A 63 0.600 -7.280 2.418 1.00 0.00 N ATOM 509 CA CYS A 63 1.776 -6.625 3.004 1.00 0.00 C ATOM 510 C CYS A 63 1.806 -5.087 2.936 1.00 0.00 C ATOM 511 O CYS A 63 1.689 -4.444 3.965 1.00 0.00 O ATOM 512 CB CYS A 63 2.971 -7.207 2.244 1.00 0.00 C ATOM 513 SG CYS A 63 2.813 -7.044 0.431 1.00 0.00 S ATOM 0 H CYS A 63 0.820 -8.147 1.927 1.00 0.00 H new ATOM 0 HA CYS A 63 1.777 -6.822 4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.882 -6.705 2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.079 -8.261 2.500 1.00 0.00 H new ATOM 0 HG CYS A 63 1.878 -7.840 0.004 1.00 0.00 H new ATOM 514 N ARG A 64 1.672 -4.552 1.724 1.00 0.00 N ATOM 515 CA ARG A 64 1.685 -3.091 1.517 1.00 0.00 C ATOM 516 C ARG A 64 0.314 -2.469 1.191 1.00 0.00 C ATOM 517 O ARG A 64 0.220 -1.243 1.204 1.00 0.00 O ATOM 518 CB ARG A 64 2.760 -2.638 0.522 1.00 0.00 C ATOM 519 CG ARG A 64 4.140 -3.271 0.788 1.00 0.00 C ATOM 520 CD ARG A 64 4.790 -2.905 2.127 1.00 0.00 C ATOM 521 NE ARG A 64 5.605 -1.690 2.082 1.00 0.00 N ATOM 522 CZ ARG A 64 6.600 -1.383 2.925 1.00 0.00 C ATOM 523 NH1 ARG A 64 6.988 -2.205 3.893 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.277 -0.244 2.808 1.00 0.00 N ATOM 0 H ARG A 64 1.553 -5.098 0.870 1.00 0.00 H new ATOM 0 HA ARG A 64 1.954 -2.696 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.440 -2.891 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.851 -1.553 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.038 -4.355 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.815 -2.977 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.008 -2.778 2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.414 -3.736 2.455 1.00 0.00 H new ATOM 0 HE ARG A 64 5.397 -1.018 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.524 -3.105 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.750 -1.936 4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.042 0.415 2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.031 -0.030 3.461 1.00 0.00 H new ATOM 525 N LEU A 65 -0.742 -3.285 1.086 1.00 0.00 N ATOM 526 CA LEU A 65 -2.102 -2.784 1.390 1.00 0.00 C ATOM 527 C LEU A 65 -2.098 -2.286 2.830 1.00 0.00 C ATOM 528 O LEU A 65 -2.116 -1.088 3.022 1.00 0.00 O ATOM 529 CB LEU A 65 -3.193 -3.865 1.373 1.00 0.00 C ATOM 530 CG LEU A 65 -4.120 -4.082 0.180 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.588 -2.780 -0.442 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.484 -4.902 -0.920 1.00 0.00 C ATOM 0 H LEU A 65 -0.694 -4.264 0.803 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.322 -2.036 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.691 -4.816 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.834 -3.674 2.234 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.968 -4.622 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.244 -2.995 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.132 -2.196 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.725 -2.212 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.192 -5.022 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.591 -4.393 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.210 -5.883 -0.531 1.00 0.00 H new ATOM 533 N GLN A 66 -1.538 -3.150 3.665 1.00 0.00 N ATOM 534 CA GLN A 66 -1.625 -3.126 5.134 1.00 0.00 C ATOM 535 C GLN A 66 -0.595 -2.216 5.797 1.00 0.00 C ATOM 536 O GLN A 66 -0.934 -1.458 6.708 1.00 0.00 O ATOM 537 CB GLN A 66 -1.645 -4.580 5.623 1.00 0.00 C ATOM 538 CG GLN A 66 -2.886 -5.354 5.104 1.00 0.00 C ATOM 539 CD GLN A 66 -4.249 -4.653 5.129 1.00 0.00 C ATOM 540 OE1 GLN A 66 -5.001 -4.791 4.052 1.00 0.00 O flip ATOM 541 NE2 GLN A 66 -4.683 -4.054 6.107 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.978 -3.932 3.326 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.554 -2.652 5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.738 -5.086 5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.638 -4.596 6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.685 -5.651 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.974 -6.270 5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.102 -3.947 6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.625 -3.662 6.089 1.00 0.00 H new ATOM 542 N LYS A 67 0.620 -2.192 5.255 1.00 0.00 N ATOM 543 CA LYS A 67 1.607 -1.148 5.616 1.00 0.00 C ATOM 544 C LYS A 67 1.196 0.257 5.177 1.00 0.00 C ATOM 545 O LYS A 67 1.276 1.192 5.973 1.00 0.00 O ATOM 546 CB LYS A 67 2.978 -1.531 5.027 1.00 0.00 C ATOM 547 CG LYS A 67 4.146 -0.800 5.690 1.00 0.00 C ATOM 548 CD LYS A 67 4.500 -1.416 7.048 1.00 0.00 C ATOM 549 CE LYS A 67 5.625 -0.663 7.767 1.00 0.00 C ATOM 550 NZ LYS A 67 5.159 0.671 8.189 1.00 0.00 N ATOM 0 H LYS A 67 0.953 -2.871 4.570 1.00 0.00 H new ATOM 0 HA LYS A 67 1.661 -1.107 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.124 -2.606 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.981 -1.313 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.017 -0.836 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.890 0.251 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.612 -1.424 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.798 -2.454 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.955 -1.232 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.486 -0.563 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.874 1.110 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.010 1.268 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.264 0.577 8.710 1.00 0.00 H new ATOM 551 N CYS A 68 0.617 0.381 3.986 1.00 0.00 N ATOM 552 CA CYS A 68 -0.005 1.652 3.550 1.00 0.00 C ATOM 553 C CYS A 68 -1.296 1.988 4.341 1.00 0.00 C ATOM 554 O CYS A 68 -1.483 3.122 4.760 1.00 0.00 O ATOM 555 CB CYS A 68 -0.188 1.671 2.032 1.00 0.00 C ATOM 556 SG CYS A 68 0.632 3.074 1.205 1.00 0.00 S ATOM 0 H CYS A 68 0.560 -0.372 3.301 1.00 0.00 H new ATOM 0 HA CYS A 68 0.681 2.463 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.200 0.741 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.254 1.701 1.805 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.223 4.039 1.038 1.00 0.00 H new ATOM 557 N PHE A 69 -2.053 0.946 4.678 1.00 0.00 N ATOM 558 CA PHE A 69 -3.189 0.953 5.638 1.00 0.00 C ATOM 559 C PHE A 69 -2.919 1.371 7.077 1.00 0.00 C ATOM 560 O PHE A 69 -3.826 1.732 7.815 1.00 0.00 O ATOM 561 CB PHE A 69 -3.905 -0.390 5.699 1.00 0.00 C ATOM 562 CG PHE A 69 -5.053 -0.522 4.702 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.132 0.376 4.878 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.183 -1.654 3.838 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.337 0.164 4.180 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.385 -1.883 3.172 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.421 -0.944 3.311 1.00 0.00 C ATOM 0 H PHE A 69 -1.895 0.021 4.277 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.798 1.744 5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.183 -1.185 5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.292 -0.539 6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.032 1.220 5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.351 -2.330 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.175 0.833 4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.518 -2.764 2.562 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.320 -1.076 2.728 1.00 0.00 H new ATOM 568 N GLU A 70 -1.676 1.179 7.513 1.00 0.00 N ATOM 569 CA GLU A 70 -1.170 1.810 8.757 1.00 0.00 C ATOM 570 C GLU A 70 -1.373 3.329 8.787 1.00 0.00 C ATOM 571 O GLU A 70 -1.484 3.944 9.847 1.00 0.00 O ATOM 572 CB GLU A 70 0.298 1.453 8.880 1.00 0.00 C ATOM 573 CG GLU A 70 0.372 -0.035 9.249 1.00 0.00 C ATOM 574 CD GLU A 70 1.795 -0.601 9.396 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.706 0.152 9.811 1.00 0.00 O ATOM 576 OE2 GLU A 70 1.939 -1.810 9.117 1.00 0.00 O ATOM 0 H GLU A 70 -0.992 0.594 7.033 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.739 1.430 9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.820 1.644 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.780 2.064 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.162 -0.188 10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.154 -0.609 8.486 1.00 0.00 H new ATOM 577 N VAL A 71 -1.515 3.883 7.593 1.00 0.00 N ATOM 578 CA VAL A 71 -1.886 5.281 7.329 1.00 0.00 C ATOM 579 C VAL A 71 -3.240 5.241 6.569 1.00 0.00 C ATOM 580 O VAL A 71 -3.293 5.529 5.385 1.00 0.00 O ATOM 581 CB VAL A 71 -0.728 5.951 6.555 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.960 7.464 6.461 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.632 5.757 7.214 1.00 0.00 C ATOM 0 H VAL A 71 -1.370 3.352 6.735 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.030 5.882 8.227 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.719 5.473 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.138 7.925 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.897 7.657 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.010 7.887 7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.399 6.252 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.616 6.187 8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.856 4.692 7.280 1.00 0.00 H new ATOM 584 N GLY A 72 -4.171 4.490 7.178 1.00 0.00 N ATOM 585 CA GLY A 72 -5.585 4.227 6.773 1.00 0.00 C ATOM 586 C GLY A 72 -6.138 5.084 5.656 1.00 0.00 C ATOM 587 O GLY A 72 -6.768 6.133 5.812 1.00 0.00 O ATOM 0 H GLY A 72 -3.946 4.002 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.665 3.182 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.220 4.357 7.649 1.00 0.00 H new ATOM 588 N MET A 73 -5.826 4.522 4.513 1.00 0.00 N ATOM 589 CA MET A 73 -6.194 5.032 3.188 1.00 0.00 C ATOM 590 C MET A 73 -7.578 4.453 2.909 1.00 0.00 C ATOM 591 O MET A 73 -7.858 3.297 3.218 1.00 0.00 O ATOM 592 CB MET A 73 -5.269 4.393 2.131 1.00 0.00 C ATOM 593 CG MET A 73 -3.990 3.714 2.610 1.00 0.00 C ATOM 594 SD MET A 73 -2.422 4.242 1.833 1.00 0.00 S ATOM 595 CE MET A 73 -2.678 3.974 0.097 1.00 0.00 C ATOM 0 H MET A 73 -5.285 3.658 4.465 1.00 0.00 H new ATOM 0 HA MET A 73 -6.140 6.120 3.154 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.852 3.655 1.581 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.988 5.171 1.421 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.905 3.874 3.685 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.099 2.641 2.455 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.870 4.441 -0.466 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.691 2.903 -0.108 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.630 4.413 -0.202 1.00 0.00 H new ATOM 596 N SER A 74 -8.352 5.208 2.146 1.00 0.00 N ATOM 597 CA SER A 74 -9.671 4.692 1.761 1.00 0.00 C ATOM 598 C SER A 74 -9.934 4.326 0.300 1.00 0.00 C ATOM 599 O SER A 74 -10.863 4.770 -0.386 1.00 0.00 O ATOM 600 CB SER A 74 -10.800 5.554 2.376 1.00 0.00 C ATOM 601 OG SER A 74 -12.084 5.050 2.014 1.00 0.00 O ATOM 0 H SER A 74 -8.115 6.135 1.792 1.00 0.00 H new ATOM 0 HA SER A 74 -9.667 3.695 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.703 5.566 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.701 6.585 2.036 1.00 0.00 H new ATOM 0 HG SER A 74 -12.125 4.927 1.043 1.00 0.00 H new ATOM 602 N LYS A 75 -9.159 3.307 -0.043 1.00 0.00 N ATOM 603 CA LYS A 75 -9.781 2.024 -0.418 1.00 0.00 C ATOM 604 C LYS A 75 -9.714 1.171 0.850 1.00 0.00 C ATOM 605 O LYS A 75 -8.701 0.615 1.207 1.00 0.00 O ATOM 606 CB LYS A 75 -9.195 1.388 -1.671 1.00 0.00 C ATOM 607 CG LYS A 75 -9.169 2.334 -2.883 1.00 0.00 C ATOM 608 CD LYS A 75 -10.464 3.045 -3.294 1.00 0.00 C ATOM 609 CE LYS A 75 -11.493 2.117 -3.925 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.383 2.849 -4.830 1.00 0.00 N ATOM 0 H LYS A 75 -8.140 3.327 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.816 2.152 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.179 1.054 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.776 0.501 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.420 3.101 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.821 1.760 -3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.904 3.518 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.224 3.841 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.984 1.325 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.081 1.636 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.370 2.583 -4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.265 3.872 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.147 2.613 -5.815 1.00 0.00 H new ATOM 611 N GLU A 76 -10.858 1.091 1.491 1.00 0.00 N ATOM 612 CA GLU A 76 -10.951 0.998 2.944 1.00 0.00 C ATOM 613 C GLU A 76 -11.455 -0.431 3.272 1.00 0.00 C ATOM 614 O GLU A 76 -10.739 -1.405 3.071 1.00 0.00 O ATOM 615 CB GLU A 76 -11.923 2.126 3.273 1.00 0.00 C ATOM 616 CG GLU A 76 -12.005 2.477 4.760 1.00 0.00 C ATOM 617 CD GLU A 76 -12.859 3.727 4.995 1.00 0.00 C ATOM 618 OE1 GLU A 76 -14.087 3.617 4.814 1.00 0.00 O ATOM 619 OE2 GLU A 76 -12.267 4.751 5.387 1.00 0.00 O ATOM 0 H GLU A 76 -11.763 1.088 1.021 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.036 1.118 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.628 3.017 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.917 1.846 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.428 1.637 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.001 2.642 5.152 1.00 0.00 H new ATOM 620 N SER A 77 -12.755 -0.541 3.536 1.00 0.00 N ATOM 621 CA SER A 77 -13.534 -1.764 3.324 1.00 0.00 C ATOM 622 C SER A 77 -14.360 -1.465 2.081 1.00 0.00 C ATOM 623 O SER A 77 -15.420 -0.824 2.079 1.00 0.00 O ATOM 624 CB SER A 77 -14.394 -2.065 4.556 1.00 0.00 C ATOM 625 OG SER A 77 -15.133 -0.896 4.948 1.00 0.00 O ATOM 0 H SER A 77 -13.309 0.230 3.910 1.00 0.00 H new ATOM 0 HA SER A 77 -12.923 -2.655 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 77 -15.082 -2.882 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.760 -2.395 5.379 1.00 0.00 H new ATOM 0 HG SER A 77 -16.089 -1.044 4.789 1.00 0.00 H new ATOM 626 N VAL A 78 -13.625 -1.670 0.997 1.00 0.00 N ATOM 627 CA VAL A 78 -13.981 -1.231 -0.344 1.00 0.00 C ATOM 628 C VAL A 78 -14.310 -2.373 -1.288 1.00 0.00 C ATOM 629 O VAL A 78 -13.627 -3.388 -1.329 1.00 0.00 O ATOM 630 CB VAL A 78 -12.891 -0.255 -0.785 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.005 -0.589 -1.959 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.265 1.219 -0.690 1.00 0.00 C ATOM 0 H VAL A 78 -12.733 -2.164 1.029 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.932 -0.698 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.189 -0.458 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.294 0.221 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.462 -1.512 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.617 -0.718 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.426 1.829 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.132 1.416 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.505 1.468 0.344 1.00 0.00 H new ATOM 633 N ARG A 79 -15.501 -2.280 -1.855 1.00 0.00 N ATOM 634 CA ARG A 79 -16.467 -1.178 -1.635 1.00 0.00 C ATOM 635 C ARG A 79 -17.728 -1.640 -0.880 1.00 0.00 C ATOM 636 O ARG A 79 -18.561 -2.378 -1.399 1.00 0.00 O ATOM 637 CB ARG A 79 -16.872 -0.511 -2.951 1.00 0.00 C ATOM 638 CG ARG A 79 -15.874 0.578 -3.335 1.00 0.00 C ATOM 639 CD ARG A 79 -16.443 1.341 -4.540 1.00 0.00 C ATOM 640 NE ARG A 79 -15.475 2.305 -5.093 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.398 3.611 -4.805 1.00 0.00 C ATOM 642 NH1 ARG A 79 -16.186 4.195 -3.913 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.645 4.405 -5.555 1.00 0.00 N ATOM 0 H ARG A 79 -15.849 -2.985 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.949 -0.448 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.924 -1.259 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.868 -0.080 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.710 1.256 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.908 0.139 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.730 0.631 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.348 1.869 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.796 1.941 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.886 3.646 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.092 5.193 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.129 4.020 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.582 5.400 -5.341 1.00 0.00 H new ATOM 644 N ASN A 80 -17.722 -1.309 0.405 1.00 0.00 N ATOM 645 CA ASN A 80 -18.763 -1.691 1.370 1.00 0.00 C ATOM 646 C ASN A 80 -19.448 -0.476 2.047 1.00 0.00 C ATOM 647 O ASN A 80 -18.765 0.559 2.206 1.00 0.00 O ATOM 648 CB ASN A 80 -18.036 -2.633 2.337 1.00 0.00 C ATOM 649 CG ASN A 80 -18.340 -2.483 3.829 1.00 0.00 C ATOM 650 OD1 ASN A 80 -17.693 -1.743 4.549 1.00 0.00 O ATOM 651 ND2 ASN A 80 -19.375 -3.159 4.294 1.00 0.00 N ATOM 652 OXT ASN A 80 -20.648 -0.625 2.383 1.00 0.00 O ATOM 0 H ASN A 80 -16.976 -0.753 0.823 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.613 -2.184 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.268 -3.658 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.964 -2.498 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -19.646 -3.067 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -19.903 -3.773 3.674 1.00 0.00 H new