USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 477 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 67 THR OG1 : rot -45:sc= 1.23 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.998 K(o=2.2,f=-3.9!) USER MOD Single : A 28 CYS SG : rot 17:sc= 0.117 USER MOD Single : A 34 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-8.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 148:sc= -0.307 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0359 (180deg=-0.409) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 1:sc= -0.998 USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= -0.165 (180deg=-0.946) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -151:sc= -0.141 (180deg=-0.912) USER MOD Single : A 65 MET CE :methyl 173:sc= -0.657 (180deg=-0.841) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.111 (180deg=-0.966) USER MOD Single : A 71 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.0423 (180deg=-0.379) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 10.315 2.382 1.658 1.00 0.00 N ATOM 42 CA CYS A 28 11.733 2.590 1.402 1.00 0.00 C ATOM 43 C CYS A 28 12.438 3.023 2.679 1.00 0.00 C ATOM 44 O CYS A 28 11.826 3.608 3.574 1.00 0.00 O ATOM 45 CB CYS A 28 11.919 3.661 0.326 1.00 0.00 C ATOM 46 SG CYS A 28 11.283 5.243 0.935 1.00 0.00 S ATOM 0 HA CYS A 28 12.166 1.652 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.974 3.755 0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.394 3.372 -0.585 1.00 0.00 H new ATOM 0 HG CYS A 28 11.163 5.194 2.229 1.00 0.00 H new ATOM 52 N GLY A 29 13.725 2.729 2.760 1.00 0.00 N ATOM 53 CA GLY A 29 14.500 3.086 3.938 1.00 0.00 C ATOM 54 C GLY A 29 15.671 2.132 4.130 1.00 0.00 C ATOM 55 O GLY A 29 16.494 1.957 3.231 1.00 0.00 O ATOM 0 H GLY A 29 14.252 2.248 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.870 4.106 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.860 3.064 4.820 1.00 0.00 H new ATOM 59 N ARG A 30 15.737 1.517 5.305 1.00 0.00 N ATOM 60 CA ARG A 30 16.817 0.583 5.607 1.00 0.00 C ATOM 61 C ARG A 30 16.282 -0.837 5.703 1.00 0.00 C ATOM 62 O ARG A 30 15.149 -1.053 6.128 1.00 0.00 O ATOM 63 CB ARG A 30 17.482 0.958 6.934 1.00 0.00 C ATOM 64 CG ARG A 30 17.964 2.410 6.892 1.00 0.00 C ATOM 65 CD ARG A 30 19.074 2.556 5.853 1.00 0.00 C ATOM 66 NE ARG A 30 18.508 2.967 4.574 1.00 0.00 N ATOM 67 CZ ARG A 30 18.092 4.215 4.359 1.00 0.00 C ATOM 68 NH1 ARG A 30 18.172 5.120 5.300 1.00 0.00 N ATOM 69 NH2 ARG A 30 17.600 4.537 3.194 1.00 0.00 N ATOM 0 H ARG A 30 15.062 1.646 6.059 1.00 0.00 H new ATOM 0 HA ARG A 30 17.549 0.638 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.776 0.825 7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.324 0.293 7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.133 3.072 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.330 2.710 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.805 3.291 6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.603 1.610 5.739 1.00 0.00 H new ATOM 0 HE ARG A 30 18.428 2.281 3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.557 4.875 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.850 6.071 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.536 3.836 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.279 5.490 3.021 1.00 0.00 H new ATOM 83 N ALA A 31 17.098 -1.804 5.304 1.00 0.00 N ATOM 84 CA ALA A 31 16.682 -3.198 5.359 1.00 0.00 C ATOM 85 C ALA A 31 17.576 -3.995 6.300 1.00 0.00 C ATOM 86 O ALA A 31 18.766 -4.173 6.039 1.00 0.00 O ATOM 87 CB ALA A 31 16.741 -3.812 3.960 1.00 0.00 C ATOM 0 H ALA A 31 18.040 -1.652 4.943 1.00 0.00 H new ATOM 0 HA ALA A 31 15.660 -3.235 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.429 -4.855 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.075 -3.264 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.761 -3.755 3.581 1.00 0.00 H new ATOM 93 N ARG A 32 16.988 -4.474 7.390 1.00 0.00 N ATOM 94 CA ARG A 32 17.747 -5.259 8.363 1.00 0.00 C ATOM 95 C ARG A 32 17.735 -6.740 7.984 1.00 0.00 C ATOM 96 O ARG A 32 16.681 -7.320 7.737 1.00 0.00 O ATOM 97 CB ARG A 32 17.148 -5.087 9.759 1.00 0.00 C ATOM 98 CG ARG A 32 15.715 -5.619 9.776 1.00 0.00 C ATOM 99 CD ARG A 32 14.981 -5.044 10.982 1.00 0.00 C ATOM 100 NE ARG A 32 15.260 -5.833 12.174 1.00 0.00 N ATOM 101 CZ ARG A 32 16.266 -5.547 13.002 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.073 -4.542 12.771 1.00 0.00 N ATOM 103 NH2 ARG A 32 16.450 -6.288 14.057 1.00 0.00 N ATOM 0 H ARG A 32 16.004 -4.337 7.623 1.00 0.00 H new ATOM 0 HA ARG A 32 18.777 -4.901 8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.753 -5.620 10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.158 -4.034 10.042 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.201 -5.342 8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.719 -6.708 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.288 -4.011 11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.908 -5.032 10.790 1.00 0.00 H new ATOM 0 HE ARG A 32 14.664 -6.634 12.383 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.939 -3.960 11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.836 -4.341 13.418 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.829 -7.076 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.215 -6.081 14.699 1.00 0.00 H new ATOM 117 N VAL A 33 18.919 -7.342 7.929 1.00 0.00 N ATOM 118 CA VAL A 33 19.038 -8.754 7.563 1.00 0.00 C ATOM 119 C VAL A 33 18.834 -9.657 8.775 1.00 0.00 C ATOM 120 O VAL A 33 19.426 -9.440 9.829 1.00 0.00 O ATOM 121 CB VAL A 33 20.414 -9.031 6.951 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.535 -10.519 6.616 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.582 -8.209 5.672 1.00 0.00 C ATOM 0 H VAL A 33 19.806 -6.880 8.131 1.00 0.00 H new ATOM 0 HA VAL A 33 18.261 -8.972 6.830 1.00 0.00 H new ATOM 0 HB VAL A 33 21.188 -8.754 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.515 -10.715 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.418 -11.108 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.759 -10.796 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.562 -8.408 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.806 -8.485 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.498 -7.148 5.908 1.00 0.00 H new ATOM 133 N HIS A 34 17.996 -10.676 8.611 1.00 0.00 N ATOM 134 CA HIS A 34 17.727 -11.619 9.693 1.00 0.00 C ATOM 135 C HIS A 34 18.243 -13.015 9.356 1.00 0.00 C ATOM 136 O HIS A 34 18.367 -13.868 10.234 1.00 0.00 O ATOM 137 CB HIS A 34 16.226 -11.684 9.979 1.00 0.00 C ATOM 138 CG HIS A 34 15.815 -10.484 10.783 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.540 -10.353 11.312 1.00 0.00 N ATOM 140 CD2 HIS A 34 16.502 -9.364 11.179 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.502 -9.195 11.994 1.00 0.00 C ATOM 142 NE2 HIS A 34 15.672 -8.553 11.944 1.00 0.00 N ATOM 0 H HIS A 34 17.494 -10.870 7.745 1.00 0.00 H new ATOM 0 HA HIS A 34 18.252 -11.263 10.579 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.668 -11.716 9.043 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.988 -12.598 10.523 1.00 0.00 H new ATOM 0 HD1 HIS A 34 13.771 -11.014 11.204 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.531 -9.146 10.934 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.632 -8.829 12.518 1.00 0.00 H new ATOM 150 N THR A 35 18.545 -13.243 8.084 1.00 0.00 N ATOM 151 CA THR A 35 19.049 -14.536 7.644 1.00 0.00 C ATOM 152 C THR A 35 20.340 -14.370 6.852 1.00 0.00 C ATOM 153 O THR A 35 20.428 -13.529 5.958 1.00 0.00 O ATOM 154 CB THR A 35 17.994 -15.230 6.786 1.00 0.00 C ATOM 155 OG1 THR A 35 16.877 -15.575 7.592 1.00 0.00 O ATOM 156 CG2 THR A 35 18.587 -16.479 6.134 1.00 0.00 C ATOM 0 H THR A 35 18.450 -12.551 7.341 1.00 0.00 H new ATOM 0 HA THR A 35 19.263 -15.147 8.521 1.00 0.00 H new ATOM 0 HB THR A 35 17.666 -14.552 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.200 -16.019 7.040 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.827 -16.967 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.430 -16.195 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 35 18.928 -17.167 6.908 1.00 0.00 H new ATOM 164 N ASP A 36 21.342 -15.176 7.189 1.00 0.00 N ATOM 165 CA ASP A 36 22.629 -15.111 6.508 1.00 0.00 C ATOM 166 C ASP A 36 22.490 -15.533 5.050 1.00 0.00 C ATOM 167 O ASP A 36 21.698 -16.419 4.726 1.00 0.00 O ATOM 168 CB ASP A 36 23.631 -16.030 7.207 1.00 0.00 C ATOM 169 CG ASP A 36 24.011 -15.450 8.563 1.00 0.00 C ATOM 170 OD1 ASP A 36 23.693 -14.299 8.803 1.00 0.00 O ATOM 171 OD2 ASP A 36 24.617 -16.167 9.343 1.00 0.00 O ATOM 0 H ASP A 36 21.288 -15.879 7.926 1.00 0.00 H new ATOM 0 HA ASP A 36 22.985 -14.081 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.199 -17.023 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.522 -16.147 6.590 1.00 0.00 H new ATOM 176 N PHE A 37 23.266 -14.902 4.175 1.00 0.00 N ATOM 177 CA PHE A 37 23.216 -15.237 2.756 1.00 0.00 C ATOM 178 C PHE A 37 24.361 -16.183 2.402 1.00 0.00 C ATOM 179 O PHE A 37 25.503 -15.970 2.811 1.00 0.00 O ATOM 180 CB PHE A 37 23.313 -13.967 1.913 1.00 0.00 C ATOM 181 CG PHE A 37 22.873 -14.248 0.495 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.670 -13.710 0.013 1.00 0.00 C ATOM 183 CD2 PHE A 37 23.659 -15.052 -0.339 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.261 -13.977 -1.297 1.00 0.00 C ATOM 185 CE2 PHE A 37 23.248 -15.318 -1.650 1.00 0.00 C ATOM 186 CZ PHE A 37 22.049 -14.781 -2.130 1.00 0.00 C ATOM 0 H PHE A 37 23.929 -14.166 4.418 1.00 0.00 H new ATOM 0 HA PHE A 37 22.268 -15.731 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 37 22.690 -13.185 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 37 24.338 -13.596 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.060 -13.090 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 37 24.585 -15.468 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 37 20.335 -13.562 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 37 23.857 -15.938 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.731 -14.986 -3.142 1.00 0.00 H new ATOM 196 N THR A 38 24.050 -17.225 1.640 1.00 0.00 N ATOM 197 CA THR A 38 25.063 -18.192 1.234 1.00 0.00 C ATOM 198 C THR A 38 25.157 -18.271 -0.294 1.00 0.00 C ATOM 199 O THR A 38 24.416 -19.028 -0.924 1.00 0.00 O ATOM 200 CB THR A 38 24.707 -19.575 1.801 1.00 0.00 C ATOM 201 OG1 THR A 38 25.581 -20.547 1.246 1.00 0.00 O ATOM 202 CG2 THR A 38 23.247 -19.946 1.483 1.00 0.00 C ATOM 0 H THR A 38 23.111 -17.421 1.293 1.00 0.00 H new ATOM 0 HA THR A 38 26.029 -17.870 1.624 1.00 0.00 H new ATOM 0 HB THR A 38 24.820 -19.547 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 38 25.358 -21.431 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 38 23.023 -20.929 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 38 22.579 -19.206 1.925 1.00 0.00 H new ATOM 0 HG23 THR A 38 23.104 -19.965 0.403 1.00 0.00 H new ATOM 210 N PRO A 39 26.047 -17.516 -0.902 1.00 0.00 N ATOM 211 CA PRO A 39 26.222 -17.522 -2.385 1.00 0.00 C ATOM 212 C PRO A 39 26.948 -18.771 -2.878 1.00 0.00 C ATOM 213 O PRO A 39 27.731 -19.375 -2.145 1.00 0.00 O ATOM 214 CB PRO A 39 27.033 -16.255 -2.658 1.00 0.00 C ATOM 215 CG PRO A 39 27.818 -16.015 -1.411 1.00 0.00 C ATOM 216 CD PRO A 39 26.986 -16.577 -0.254 1.00 0.00 C ATOM 0 HA PRO A 39 25.268 -17.538 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.690 -16.386 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 39 26.381 -15.411 -2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.789 -16.507 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 39 28.007 -14.951 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.614 -17.084 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 39 26.455 -15.786 0.275 1.00 0.00 H new ATOM 224 N SER A 40 26.683 -19.154 -4.122 1.00 0.00 N ATOM 225 CA SER A 40 27.317 -20.334 -4.700 1.00 0.00 C ATOM 226 C SER A 40 28.795 -20.061 -4.991 1.00 0.00 C ATOM 227 O SER A 40 29.205 -18.906 -5.105 1.00 0.00 O ATOM 228 CB SER A 40 26.598 -20.746 -5.987 1.00 0.00 C ATOM 229 OG SER A 40 25.292 -21.209 -5.668 1.00 0.00 O ATOM 0 H SER A 40 26.038 -18.669 -4.746 1.00 0.00 H new ATOM 0 HA SER A 40 27.248 -21.149 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.539 -19.900 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 40 27.160 -21.529 -6.496 1.00 0.00 H new ATOM 0 HG SER A 40 24.828 -21.472 -6.490 1.00 0.00 H new ATOM 235 N PRO A 41 29.597 -21.091 -5.107 1.00 0.00 N ATOM 236 CA PRO A 41 31.061 -20.947 -5.386 1.00 0.00 C ATOM 237 C PRO A 41 31.327 -20.098 -6.627 1.00 0.00 C ATOM 238 O PRO A 41 32.285 -19.325 -6.670 1.00 0.00 O ATOM 239 CB PRO A 41 31.527 -22.388 -5.615 1.00 0.00 C ATOM 240 CG PRO A 41 30.546 -23.232 -4.877 1.00 0.00 C ATOM 241 CD PRO A 41 29.206 -22.508 -4.984 1.00 0.00 C ATOM 0 HA PRO A 41 31.584 -20.443 -4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 41 31.540 -22.635 -6.677 1.00 0.00 H new ATOM 0 HB3 PRO A 41 32.539 -22.540 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 41 30.486 -24.230 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 41 30.842 -23.354 -3.835 1.00 0.00 H new ATOM 0 HD2 PRO A 41 28.635 -22.845 -5.849 1.00 0.00 H new ATOM 0 HD3 PRO A 41 28.584 -22.679 -4.105 1.00 0.00 H new ATOM 249 N TYR A 42 30.473 -20.250 -7.634 1.00 0.00 N ATOM 250 CA TYR A 42 30.621 -19.494 -8.875 1.00 0.00 C ATOM 251 C TYR A 42 29.715 -18.263 -8.874 1.00 0.00 C ATOM 252 O TYR A 42 29.458 -17.672 -9.922 1.00 0.00 O ATOM 253 CB TYR A 42 30.279 -20.382 -10.076 1.00 0.00 C ATOM 254 CG TYR A 42 28.898 -20.965 -9.900 1.00 0.00 C ATOM 255 CD1 TYR A 42 27.774 -20.237 -10.308 1.00 0.00 C ATOM 256 CD2 TYR A 42 28.741 -22.235 -9.332 1.00 0.00 C ATOM 257 CE1 TYR A 42 26.493 -20.778 -10.146 1.00 0.00 C ATOM 258 CE2 TYR A 42 27.460 -22.775 -9.170 1.00 0.00 C ATOM 259 CZ TYR A 42 26.336 -22.046 -9.576 1.00 0.00 C ATOM 260 OH TYR A 42 25.073 -22.578 -9.415 1.00 0.00 O ATOM 0 H TYR A 42 29.675 -20.886 -7.617 1.00 0.00 H new ATOM 0 HA TYR A 42 31.657 -19.164 -8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 42 30.324 -19.799 -10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 42 31.013 -21.182 -10.170 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.895 -19.258 -10.748 1.00 0.00 H new ATOM 0 HD2 TYR A 42 29.608 -22.798 -9.019 1.00 0.00 H new ATOM 0 HE1 TYR A 42 25.626 -20.216 -10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 42 27.339 -23.755 -8.732 1.00 0.00 H new ATOM 0 HH TYR A 42 25.142 -23.466 -9.006 1.00 0.00 H new ATOM 270 N ASP A 43 29.225 -17.884 -7.694 1.00 0.00 N ATOM 271 CA ASP A 43 28.345 -16.726 -7.580 1.00 0.00 C ATOM 272 C ASP A 43 29.141 -15.485 -7.176 1.00 0.00 C ATOM 273 O ASP A 43 29.283 -15.179 -5.990 1.00 0.00 O ATOM 274 CB ASP A 43 27.250 -17.008 -6.544 1.00 0.00 C ATOM 275 CG ASP A 43 25.873 -16.758 -7.156 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.761 -15.857 -7.971 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.951 -17.474 -6.801 1.00 0.00 O ATOM 0 H ASP A 43 29.421 -18.358 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 43 27.884 -16.539 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.322 -18.039 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 43 27.390 -16.370 -5.672 1.00 0.00 H new ATOM 282 N THR A 44 29.664 -14.776 -8.169 1.00 0.00 N ATOM 283 CA THR A 44 30.443 -13.572 -7.904 1.00 0.00 C ATOM 284 C THR A 44 29.549 -12.338 -7.953 1.00 0.00 C ATOM 285 O THR A 44 29.842 -11.324 -7.319 1.00 0.00 O ATOM 286 CB THR A 44 31.571 -13.437 -8.929 1.00 0.00 C ATOM 287 OG1 THR A 44 32.294 -12.240 -8.680 1.00 0.00 O ATOM 288 CG2 THR A 44 30.984 -13.398 -10.340 1.00 0.00 C ATOM 0 H THR A 44 29.565 -15.011 -9.157 1.00 0.00 H new ATOM 0 HA THR A 44 30.876 -13.653 -6.907 1.00 0.00 H new ATOM 0 HB THR A 44 32.242 -14.292 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 44 33.018 -12.153 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.790 -13.302 -11.067 1.00 0.00 H new ATOM 0 HG22 THR A 44 30.432 -14.318 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 44 30.310 -12.546 -10.430 1.00 0.00 H new ATOM 296 N ASP A 45 28.459 -12.433 -8.706 1.00 0.00 N ATOM 297 CA ASP A 45 27.530 -11.318 -8.825 1.00 0.00 C ATOM 298 C ASP A 45 26.609 -11.239 -7.607 1.00 0.00 C ATOM 299 O ASP A 45 25.797 -10.320 -7.493 1.00 0.00 O ATOM 300 CB ASP A 45 26.689 -11.481 -10.094 1.00 0.00 C ATOM 301 CG ASP A 45 25.838 -12.746 -10.005 1.00 0.00 C ATOM 302 OD1 ASP A 45 25.982 -13.471 -9.034 1.00 0.00 O ATOM 303 OD2 ASP A 45 25.053 -12.972 -10.911 1.00 0.00 O ATOM 0 H ASP A 45 28.199 -13.263 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 45 28.108 -10.395 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.047 -10.611 -10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.340 -11.533 -10.966 1.00 0.00 H new ATOM 308 N SER A 46 26.740 -12.201 -6.695 1.00 0.00 N ATOM 309 CA SER A 46 25.917 -12.219 -5.493 1.00 0.00 C ATOM 310 C SER A 46 26.516 -11.315 -4.421 1.00 0.00 C ATOM 311 O SER A 46 27.732 -11.286 -4.232 1.00 0.00 O ATOM 312 CB SER A 46 25.812 -13.648 -4.963 1.00 0.00 C ATOM 313 OG SER A 46 25.095 -13.644 -3.736 1.00 0.00 O ATOM 0 H SER A 46 27.404 -12.972 -6.767 1.00 0.00 H new ATOM 0 HA SER A 46 24.923 -11.850 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 46 25.305 -14.281 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.807 -14.067 -4.814 1.00 0.00 H new ATOM 0 HG SER A 46 24.592 -14.480 -3.648 1.00 0.00 H new ATOM 319 N LEU A 47 25.659 -10.586 -3.719 1.00 0.00 N ATOM 320 CA LEU A 47 26.118 -9.694 -2.664 1.00 0.00 C ATOM 321 C LEU A 47 26.257 -10.464 -1.353 1.00 0.00 C ATOM 322 O LEU A 47 25.483 -11.380 -1.077 1.00 0.00 O ATOM 323 CB LEU A 47 25.135 -8.538 -2.488 1.00 0.00 C ATOM 324 CG LEU A 47 25.632 -7.589 -1.393 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.961 -6.951 -1.814 1.00 0.00 C ATOM 326 CD2 LEU A 47 24.592 -6.494 -1.172 1.00 0.00 C ATOM 0 H LEU A 47 24.649 -10.594 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 47 27.091 -9.290 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 47 25.026 -7.997 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.150 -8.924 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 47 25.784 -8.150 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.306 -6.278 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.704 -7.732 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.819 -6.389 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.939 -5.814 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.445 -5.939 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.648 -6.945 -0.866 1.00 0.00 H new ATOM 338 N LYS A 48 27.242 -10.083 -0.551 1.00 0.00 N ATOM 339 CA LYS A 48 27.473 -10.739 0.731 1.00 0.00 C ATOM 340 C LYS A 48 26.805 -9.956 1.859 1.00 0.00 C ATOM 341 O LYS A 48 27.017 -8.752 2.005 1.00 0.00 O ATOM 342 CB LYS A 48 28.982 -10.853 0.980 1.00 0.00 C ATOM 343 CG LYS A 48 29.596 -9.454 1.115 1.00 0.00 C ATOM 344 CD LYS A 48 31.120 -9.558 1.100 1.00 0.00 C ATOM 345 CE LYS A 48 31.723 -8.158 1.228 1.00 0.00 C ATOM 346 NZ LYS A 48 33.207 -8.250 1.175 1.00 0.00 N ATOM 0 H LYS A 48 27.892 -9.326 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 48 27.037 -11.738 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.167 -11.430 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.456 -11.390 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.257 -8.817 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.263 -8.988 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.461 -10.190 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.455 -10.028 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.359 -7.519 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.410 -7.700 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.617 -7.298 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 33.546 -8.846 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 33.497 -8.670 0.269 1.00 0.00 H new ATOM 360 N ILE A 49 25.990 -10.643 2.654 1.00 0.00 N ATOM 361 CA ILE A 49 25.301 -9.990 3.763 1.00 0.00 C ATOM 362 C ILE A 49 25.194 -10.940 4.955 1.00 0.00 C ATOM 363 O ILE A 49 25.115 -12.163 4.785 1.00 0.00 O ATOM 364 CB ILE A 49 23.903 -9.543 3.315 1.00 0.00 C ATOM 365 CG1 ILE A 49 23.038 -10.766 3.017 1.00 0.00 C ATOM 366 CG2 ILE A 49 24.020 -8.708 2.039 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.610 -10.317 2.696 1.00 0.00 C ATOM 0 H ILE A 49 25.792 -11.639 2.554 1.00 0.00 H new ATOM 0 HA ILE A 49 25.874 -9.115 4.069 1.00 0.00 H new ATOM 0 HB ILE A 49 23.448 -8.953 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 49 23.453 -11.322 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 49 23.035 -11.440 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 49 23.027 -8.390 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.637 -7.831 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 49 24.479 -9.307 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.993 -11.190 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 49 21.197 -9.780 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.622 -9.661 1.826 1.00 0.00 H new ATOM 379 N LYS A 50 25.178 -10.373 6.157 1.00 0.00 N ATOM 380 CA LYS A 50 25.075 -11.180 7.365 1.00 0.00 C ATOM 381 C LYS A 50 24.017 -10.602 8.300 1.00 0.00 C ATOM 382 O LYS A 50 23.824 -9.389 8.360 1.00 0.00 O ATOM 383 CB LYS A 50 26.424 -11.233 8.082 1.00 0.00 C ATOM 384 CG LYS A 50 26.331 -12.197 9.264 1.00 0.00 C ATOM 385 CD LYS A 50 27.694 -12.301 9.948 1.00 0.00 C ATOM 386 CE LYS A 50 27.601 -13.273 11.130 1.00 0.00 C ATOM 387 NZ LYS A 50 27.294 -14.651 10.636 1.00 0.00 N ATOM 0 H LYS A 50 25.234 -9.368 6.319 1.00 0.00 H new ATOM 0 HA LYS A 50 24.783 -12.191 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.203 -11.559 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.703 -10.238 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.582 -11.847 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.009 -13.180 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.444 -12.647 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.014 -11.319 10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.540 -13.277 11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 50 26.825 -12.944 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.544 -15.346 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.279 -14.725 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 27.845 -14.842 9.775 1.00 0.00 H new ATOM 401 N LYS A 51 23.321 -11.479 9.017 1.00 0.00 N ATOM 402 CA LYS A 51 22.275 -11.044 9.935 1.00 0.00 C ATOM 403 C LYS A 51 22.780 -9.918 10.833 1.00 0.00 C ATOM 404 O LYS A 51 23.912 -9.951 11.313 1.00 0.00 O ATOM 405 CB LYS A 51 21.817 -12.225 10.794 1.00 0.00 C ATOM 406 CG LYS A 51 22.958 -12.657 11.720 1.00 0.00 C ATOM 407 CD LYS A 51 22.523 -13.878 12.533 1.00 0.00 C ATOM 408 CE LYS A 51 23.669 -14.309 13.451 1.00 0.00 C ATOM 409 NZ LYS A 51 23.250 -15.502 14.239 1.00 0.00 N ATOM 0 H LYS A 51 23.461 -12.489 8.980 1.00 0.00 H new ATOM 0 HA LYS A 51 21.434 -10.671 9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 51 20.944 -11.943 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 51 21.517 -13.057 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.846 -12.895 11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.227 -11.839 12.388 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.639 -13.640 13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.250 -14.695 11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.555 -14.542 12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.939 -13.493 14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.028 -15.796 14.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.416 -15.263 14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.013 -16.280 13.591 1.00 0.00 H new ATOM 423 N GLY A 52 21.932 -8.916 11.041 1.00 0.00 N ATOM 424 CA GLY A 52 22.292 -7.772 11.869 1.00 0.00 C ATOM 425 C GLY A 52 22.861 -6.635 11.022 1.00 0.00 C ATOM 426 O GLY A 52 22.989 -5.505 11.492 1.00 0.00 O ATOM 0 H GLY A 52 20.992 -8.874 10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.414 -7.421 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.026 -8.076 12.615 1.00 0.00 H new ATOM 430 N ASP A 53 23.195 -6.936 9.767 1.00 0.00 N ATOM 431 CA ASP A 53 23.739 -5.929 8.864 1.00 0.00 C ATOM 432 C ASP A 53 22.629 -5.023 8.337 1.00 0.00 C ATOM 433 O ASP A 53 21.478 -5.442 8.214 1.00 0.00 O ATOM 434 CB ASP A 53 24.445 -6.608 7.689 1.00 0.00 C ATOM 435 CG ASP A 53 25.734 -7.265 8.165 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.159 -6.959 9.268 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.277 -8.067 7.424 1.00 0.00 O ATOM 0 H ASP A 53 23.098 -7.865 9.357 1.00 0.00 H new ATOM 0 HA ASP A 53 24.455 -5.322 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.789 -7.356 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.666 -5.874 6.914 1.00 0.00 H new ATOM 442 N ILE A 54 22.984 -3.780 8.028 1.00 0.00 N ATOM 443 CA ILE A 54 22.006 -2.827 7.515 1.00 0.00 C ATOM 444 C ILE A 54 22.341 -2.452 6.072 1.00 0.00 C ATOM 445 O ILE A 54 23.462 -2.047 5.765 1.00 0.00 O ATOM 446 CB ILE A 54 21.995 -1.568 8.385 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.723 -1.939 9.855 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.903 -0.617 7.889 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.310 -2.509 10.028 1.00 0.00 C ATOM 0 H ILE A 54 23.931 -3.412 8.122 1.00 0.00 H new ATOM 0 HA ILE A 54 21.020 -3.290 7.542 1.00 0.00 H new ATOM 0 HB ILE A 54 22.968 -1.081 8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.457 -2.671 10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.842 -1.057 10.484 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.894 0.280 8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.103 -0.342 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.934 -1.111 7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.146 -2.762 11.075 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.577 -1.766 9.715 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.202 -3.405 9.417 1.00 0.00 H new ATOM 461 N ILE A 55 21.357 -2.602 5.191 1.00 0.00 N ATOM 462 CA ILE A 55 21.542 -2.292 3.778 1.00 0.00 C ATOM 463 C ILE A 55 20.611 -1.171 3.344 1.00 0.00 C ATOM 464 O ILE A 55 19.420 -1.187 3.649 1.00 0.00 O ATOM 465 CB ILE A 55 21.275 -3.538 2.932 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.273 -4.624 3.326 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.448 -3.209 1.447 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.887 -5.946 2.663 1.00 0.00 C ATOM 0 H ILE A 55 20.424 -2.936 5.431 1.00 0.00 H new ATOM 0 HA ILE A 55 22.571 -1.965 3.631 1.00 0.00 H new ATOM 0 HB ILE A 55 20.255 -3.883 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.279 -4.334 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.289 -4.741 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.256 -4.102 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.745 -2.426 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.466 -2.865 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.602 -6.718 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.889 -6.239 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.894 -5.826 1.580 1.00 0.00 H new ATOM 480 N ASP A 56 21.163 -0.198 2.629 1.00 0.00 N ATOM 481 CA ASP A 56 20.364 0.923 2.154 1.00 0.00 C ATOM 482 C ASP A 56 19.559 0.515 0.927 1.00 0.00 C ATOM 483 O ASP A 56 20.127 0.089 -0.079 1.00 0.00 O ATOM 484 CB ASP A 56 21.278 2.096 1.797 1.00 0.00 C ATOM 485 CG ASP A 56 21.846 2.719 3.066 1.00 0.00 C ATOM 486 OD1 ASP A 56 21.335 2.416 4.131 1.00 0.00 O ATOM 487 OD2 ASP A 56 22.787 3.486 2.955 1.00 0.00 O ATOM 0 H ASP A 56 22.148 -0.162 2.368 1.00 0.00 H new ATOM 0 HA ASP A 56 19.678 1.224 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.090 1.753 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.720 2.844 1.233 1.00 0.00 H new ATOM 492 N ILE A 57 18.238 0.646 1.015 1.00 0.00 N ATOM 493 CA ILE A 57 17.369 0.281 -0.099 1.00 0.00 C ATOM 494 C ILE A 57 17.542 1.259 -1.255 1.00 0.00 C ATOM 495 O ILE A 57 17.315 2.459 -1.107 1.00 0.00 O ATOM 496 CB ILE A 57 15.907 0.291 0.361 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.695 -0.798 1.418 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.984 0.033 -0.833 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.315 -0.628 2.058 1.00 0.00 C ATOM 0 H ILE A 57 17.750 0.999 1.838 1.00 0.00 H new ATOM 0 HA ILE A 57 17.641 -0.718 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 57 15.673 1.265 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.776 -1.784 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.471 -0.735 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.946 0.041 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.131 0.812 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.217 -0.938 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.165 -1.403 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.251 0.353 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.545 -0.713 1.291 1.00 0.00 H new ATOM 511 N ILE A 58 17.946 0.733 -2.407 1.00 0.00 N ATOM 512 CA ILE A 58 18.148 1.560 -3.590 1.00 0.00 C ATOM 513 C ILE A 58 17.069 1.277 -4.628 1.00 0.00 C ATOM 514 O ILE A 58 16.422 2.195 -5.133 1.00 0.00 O ATOM 515 CB ILE A 58 19.526 1.284 -4.190 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.613 1.801 -3.239 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.651 2.000 -5.535 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.984 1.272 -3.675 1.00 0.00 C ATOM 0 H ILE A 58 18.139 -0.259 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 58 18.086 2.608 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 58 19.647 0.210 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.618 2.891 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.398 1.482 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.634 1.803 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.880 1.636 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.528 3.073 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.750 1.644 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.977 0.182 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.201 1.614 -4.687 1.00 0.00 H new ATOM 530 N CYS A 59 16.873 -0.003 -4.933 1.00 0.00 N ATOM 531 CA CYS A 59 15.859 -0.396 -5.905 1.00 0.00 C ATOM 532 C CYS A 59 15.141 -1.660 -5.444 1.00 0.00 C ATOM 533 O CYS A 59 15.708 -2.487 -4.729 1.00 0.00 O ATOM 534 CB CYS A 59 16.494 -0.627 -7.280 1.00 0.00 C ATOM 535 SG CYS A 59 17.058 0.952 -7.964 1.00 0.00 S ATOM 0 H CYS A 59 17.397 -0.778 -4.526 1.00 0.00 H new ATOM 0 HA CYS A 59 15.132 0.412 -5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.333 -1.317 -7.193 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.771 -1.088 -7.953 1.00 0.00 H new ATOM 0 HG CYS A 59 16.809 1.906 -7.116 1.00 0.00 H new ATOM 541 N LYS A 60 13.888 -1.803 -5.856 1.00 0.00 N ATOM 542 CA LYS A 60 13.100 -2.970 -5.480 1.00 0.00 C ATOM 543 C LYS A 60 12.558 -3.665 -6.718 1.00 0.00 C ATOM 544 O LYS A 60 12.259 -3.017 -7.721 1.00 0.00 O ATOM 545 CB LYS A 60 11.938 -2.553 -4.577 1.00 0.00 C ATOM 546 CG LYS A 60 12.487 -2.072 -3.234 1.00 0.00 C ATOM 547 CD LYS A 60 11.332 -1.780 -2.272 1.00 0.00 C ATOM 548 CE LYS A 60 10.581 -0.529 -2.732 1.00 0.00 C ATOM 549 NZ LYS A 60 11.514 0.633 -2.730 1.00 0.00 N ATOM 0 H LYS A 60 13.398 -1.131 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 60 13.746 -3.661 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.361 -1.760 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.261 -3.393 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.144 -2.830 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.088 -1.174 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.652 -2.631 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.715 -1.635 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.174 -0.682 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.737 -0.334 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.024 1.471 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.337 0.417 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.833 0.824 -3.701 1.00 0.00 H new ATOM 563 N THR A 61 12.424 -4.984 -6.639 1.00 0.00 N ATOM 564 CA THR A 61 11.906 -5.749 -7.761 1.00 0.00 C ATOM 565 C THR A 61 10.663 -6.545 -7.332 1.00 0.00 C ATOM 566 O THR A 61 10.758 -7.414 -6.461 1.00 0.00 O ATOM 567 CB THR A 61 12.977 -6.706 -8.286 1.00 0.00 C ATOM 568 OG1 THR A 61 14.125 -5.958 -8.663 1.00 0.00 O ATOM 569 CG2 THR A 61 12.434 -7.447 -9.507 1.00 0.00 C ATOM 0 H THR A 61 12.665 -5.539 -5.818 1.00 0.00 H new ATOM 0 HA THR A 61 11.628 -5.056 -8.555 1.00 0.00 H new ATOM 0 HB THR A 61 13.244 -7.424 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.816 -6.566 -8.999 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.194 -8.131 -9.885 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.546 -8.012 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.174 -6.727 -10.284 1.00 0.00 H new ATOM 577 N PRO A 62 9.508 -6.275 -7.908 1.00 0.00 N ATOM 578 CA PRO A 62 8.252 -7.004 -7.544 1.00 0.00 C ATOM 579 C PRO A 62 8.441 -8.521 -7.577 1.00 0.00 C ATOM 580 O PRO A 62 8.882 -9.077 -8.582 1.00 0.00 O ATOM 581 CB PRO A 62 7.263 -6.567 -8.630 1.00 0.00 C ATOM 582 CG PRO A 62 7.742 -5.230 -9.083 1.00 0.00 C ATOM 583 CD PRO A 62 9.263 -5.257 -8.947 1.00 0.00 C ATOM 0 HA PRO A 62 7.922 -6.775 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.245 -7.279 -9.455 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.248 -6.509 -8.237 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.446 -5.039 -10.115 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.310 -4.435 -8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.744 -5.523 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.655 -4.283 -8.653 1.00 0.00 H new ATOM 591 N MET A 63 8.089 -9.178 -6.475 1.00 0.00 N ATOM 592 CA MET A 63 8.214 -10.631 -6.382 1.00 0.00 C ATOM 593 C MET A 63 9.583 -11.085 -6.878 1.00 0.00 C ATOM 594 O MET A 63 9.701 -12.095 -7.572 1.00 0.00 O ATOM 595 CB MET A 63 7.117 -11.301 -7.212 1.00 0.00 C ATOM 596 CG MET A 63 5.746 -10.815 -6.736 1.00 0.00 C ATOM 597 SD MET A 63 5.493 -11.296 -5.009 1.00 0.00 S ATOM 598 CE MET A 63 5.297 -13.072 -5.298 1.00 0.00 C ATOM 0 H MET A 63 7.717 -8.731 -5.637 1.00 0.00 H new ATOM 0 HA MET A 63 8.107 -10.921 -5.337 1.00 0.00 H new ATOM 0 HB2 MET A 63 7.251 -11.066 -8.268 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.184 -12.385 -7.115 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.679 -9.732 -6.835 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.961 -11.241 -7.361 1.00 0.00 H new ATOM 0 HE1 MET A 63 4.652 -13.497 -4.529 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.848 -13.234 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.273 -13.556 -5.261 1.00 0.00 H new ATOM 608 N GLY A 64 10.615 -10.328 -6.521 1.00 0.00 N ATOM 609 CA GLY A 64 11.972 -10.660 -6.940 1.00 0.00 C ATOM 610 C GLY A 64 12.998 -10.152 -5.934 1.00 0.00 C ATOM 611 O GLY A 64 12.648 -9.505 -4.947 1.00 0.00 O ATOM 0 H GLY A 64 10.540 -9.488 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.068 -11.740 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.171 -10.223 -7.919 1.00 0.00 H new ATOM 615 N MET A 65 14.262 -10.468 -6.184 1.00 0.00 N ATOM 616 CA MET A 65 15.335 -10.059 -5.288 1.00 0.00 C ATOM 617 C MET A 65 15.389 -8.539 -5.175 1.00 0.00 C ATOM 618 O MET A 65 15.063 -7.821 -6.120 1.00 0.00 O ATOM 619 CB MET A 65 16.679 -10.577 -5.801 1.00 0.00 C ATOM 620 CG MET A 65 16.733 -12.101 -5.671 1.00 0.00 C ATOM 621 SD MET A 65 18.256 -12.715 -6.433 1.00 0.00 S ATOM 622 CE MET A 65 19.409 -12.074 -5.192 1.00 0.00 C ATOM 0 H MET A 65 14.568 -11.004 -6.996 1.00 0.00 H new ATOM 0 HA MET A 65 15.135 -10.482 -4.304 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.817 -10.287 -6.843 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.493 -10.126 -5.234 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.697 -12.389 -4.620 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.865 -12.549 -6.154 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.412 -12.447 -5.400 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.412 -10.985 -5.227 1.00 0.00 H new ATOM 0 HE3 MET A 65 19.098 -12.404 -4.201 1.00 0.00 H new ATOM 632 N TRP A 66 15.800 -8.059 -4.005 1.00 0.00 N ATOM 633 CA TRP A 66 15.896 -6.626 -3.757 1.00 0.00 C ATOM 634 C TRP A 66 17.311 -6.118 -4.018 1.00 0.00 C ATOM 635 O TRP A 66 18.274 -6.887 -3.998 1.00 0.00 O ATOM 636 CB TRP A 66 15.501 -6.309 -2.313 1.00 0.00 C ATOM 637 CG TRP A 66 14.010 -6.263 -2.193 1.00 0.00 C ATOM 638 CD1 TRP A 66 13.138 -6.920 -2.991 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.206 -5.519 -1.234 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.847 -6.631 -2.576 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.838 -5.769 -1.496 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.532 -4.660 -0.171 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.828 -5.185 -0.725 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.522 -4.071 0.603 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.171 -4.332 0.327 1.00 0.00 C ATOM 0 H TRP A 66 16.072 -8.643 -3.214 1.00 0.00 H new ATOM 0 HA TRP A 66 15.212 -6.123 -4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.906 -7.066 -1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.929 -5.353 -2.011 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.404 -7.564 -3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.007 -7.008 -3.014 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.568 -4.452 0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.790 -5.392 -0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.786 -3.412 1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.398 -3.874 0.927 1.00 0.00 H new ATOM 656 N THR A 67 17.426 -4.818 -4.264 1.00 0.00 N ATOM 657 CA THR A 67 18.719 -4.202 -4.530 1.00 0.00 C ATOM 658 C THR A 67 19.027 -3.144 -3.474 1.00 0.00 C ATOM 659 O THR A 67 18.155 -2.361 -3.088 1.00 0.00 O ATOM 660 CB THR A 67 18.728 -3.570 -5.916 1.00 0.00 C ATOM 661 OG1 THR A 67 18.490 -4.572 -6.895 1.00 0.00 O ATOM 662 CG2 THR A 67 20.085 -2.914 -6.170 1.00 0.00 C ATOM 0 H THR A 67 16.638 -4.170 -4.285 1.00 0.00 H new ATOM 0 HA THR A 67 19.486 -4.975 -4.490 1.00 0.00 H new ATOM 0 HB THR A 67 17.946 -2.813 -5.976 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.035 -5.362 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.091 -2.462 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.263 -2.144 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.870 -3.668 -6.110 1.00 0.00 H new ATOM 670 N GLY A 68 20.274 -3.118 -3.016 1.00 0.00 N ATOM 671 CA GLY A 68 20.683 -2.150 -2.006 1.00 0.00 C ATOM 672 C GLY A 68 22.199 -1.990 -1.986 1.00 0.00 C ATOM 673 O GLY A 68 22.899 -2.493 -2.866 1.00 0.00 O ATOM 0 H GLY A 68 21.013 -3.750 -3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.215 -1.187 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.335 -2.473 -1.025 1.00 0.00 H new ATOM 677 N MET A 69 22.698 -1.282 -0.978 1.00 0.00 N ATOM 678 CA MET A 69 24.133 -1.054 -0.854 1.00 0.00 C ATOM 679 C MET A 69 24.624 -1.500 0.520 1.00 0.00 C ATOM 680 O MET A 69 23.990 -1.218 1.537 1.00 0.00 O ATOM 681 CB MET A 69 24.444 0.428 -1.057 1.00 0.00 C ATOM 682 CG MET A 69 25.959 0.639 -1.042 1.00 0.00 C ATOM 683 SD MET A 69 26.325 2.379 -1.370 1.00 0.00 S ATOM 684 CE MET A 69 25.726 3.032 0.207 1.00 0.00 C ATOM 0 H MET A 69 22.135 -0.859 -0.240 1.00 0.00 H new ATOM 0 HA MET A 69 24.646 -1.638 -1.618 1.00 0.00 H new ATOM 0 HB2 MET A 69 24.028 0.771 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.976 1.020 -0.270 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.369 0.345 -0.076 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.433 0.008 -1.794 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.229 3.974 0.425 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.651 3.200 0.146 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.937 2.316 1.001 1.00 0.00 H new ATOM 694 N LEU A 70 25.761 -2.189 0.543 1.00 0.00 N ATOM 695 CA LEU A 70 26.336 -2.669 1.794 1.00 0.00 C ATOM 696 C LEU A 70 27.846 -2.456 1.801 1.00 0.00 C ATOM 697 O LEU A 70 28.560 -2.992 0.952 1.00 0.00 O ATOM 698 CB LEU A 70 26.034 -4.162 1.966 1.00 0.00 C ATOM 699 CG LEU A 70 26.085 -4.537 3.456 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.412 -5.901 3.668 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.545 -4.600 3.939 1.00 0.00 C ATOM 0 H LEU A 70 26.301 -2.427 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 70 25.893 -2.108 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.050 -4.393 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.758 -4.755 1.408 1.00 0.00 H new ATOM 0 HG LEU A 70 25.555 -3.777 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.449 -6.165 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.373 -5.848 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.936 -6.659 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 70 27.567 -4.866 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 70 28.086 -5.351 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 70 28.016 -3.627 3.800 1.00 0.00 H new ATOM 713 N ASN A 71 28.331 -1.683 2.769 1.00 0.00 N ATOM 714 CA ASN A 71 29.762 -1.432 2.873 1.00 0.00 C ATOM 715 C ASN A 71 30.323 -0.917 1.553 1.00 0.00 C ATOM 716 O ASN A 71 31.310 -1.443 1.039 1.00 0.00 O ATOM 717 CB ASN A 71 30.485 -2.716 3.269 1.00 0.00 C ATOM 718 CG ASN A 71 31.914 -2.401 3.680 1.00 0.00 C ATOM 719 OD1 ASN A 71 32.179 -1.349 4.264 1.00 0.00 O ATOM 720 ND2 ASN A 71 32.857 -3.254 3.403 1.00 0.00 N ATOM 0 H ASN A 71 27.762 -1.226 3.482 1.00 0.00 H new ATOM 0 HA ASN A 71 29.920 -0.671 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 71 29.959 -3.200 4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.484 -3.416 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 71 33.821 -3.053 3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 71 32.632 -4.123 2.919 1.00 0.00 H new ATOM 727 N ASN A 72 29.690 0.115 1.008 1.00 0.00 N ATOM 728 CA ASN A 72 30.136 0.692 -0.251 1.00 0.00 C ATOM 729 C ASN A 72 30.121 -0.356 -1.358 1.00 0.00 C ATOM 730 O ASN A 72 30.982 -0.356 -2.239 1.00 0.00 O ATOM 731 CB ASN A 72 31.553 1.250 -0.092 1.00 0.00 C ATOM 732 CG ASN A 72 31.844 2.260 -1.197 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.937 2.949 -1.662 1.00 0.00 O ATOM 734 ND2 ASN A 72 33.063 2.391 -1.643 1.00 0.00 N ATOM 0 H ASN A 72 28.871 0.566 1.416 1.00 0.00 H new ATOM 0 HA ASN A 72 29.454 1.498 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.658 1.725 0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.279 0.438 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 72 33.267 3.066 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.812 1.818 -1.255 1.00 0.00 H new ATOM 741 N LYS A 73 29.131 -1.241 -1.313 1.00 0.00 N ATOM 742 CA LYS A 73 29.010 -2.279 -2.327 1.00 0.00 C ATOM 743 C LYS A 73 27.548 -2.467 -2.723 1.00 0.00 C ATOM 744 O LYS A 73 26.732 -2.910 -1.921 1.00 0.00 O ATOM 745 CB LYS A 73 29.579 -3.597 -1.791 1.00 0.00 C ATOM 746 CG LYS A 73 29.925 -4.516 -2.965 1.00 0.00 C ATOM 747 CD LYS A 73 31.266 -4.091 -3.569 1.00 0.00 C ATOM 748 CE LYS A 73 31.403 -4.677 -4.975 1.00 0.00 C ATOM 749 NZ LYS A 73 32.341 -5.835 -4.941 1.00 0.00 N ATOM 0 H LYS A 73 28.409 -1.260 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 73 29.574 -1.976 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.468 -3.405 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.853 -4.081 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 73 29.978 -5.551 -2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.142 -4.468 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.330 -3.004 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 73 32.086 -4.436 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.428 -4.996 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 73 31.772 -3.917 -5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 32.435 -6.234 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 33.273 -5.517 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 31.971 -6.563 -4.297 1.00 0.00 H new ATOM 763 N VAL A 74 27.223 -2.133 -3.968 1.00 0.00 N ATOM 764 CA VAL A 74 25.851 -2.269 -4.447 1.00 0.00 C ATOM 765 C VAL A 74 25.658 -3.604 -5.153 1.00 0.00 C ATOM 766 O VAL A 74 26.413 -3.953 -6.061 1.00 0.00 O ATOM 767 CB VAL A 74 25.519 -1.127 -5.409 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.105 -1.320 -5.963 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.597 0.206 -4.662 1.00 0.00 C ATOM 0 H VAL A 74 27.882 -1.770 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 74 25.181 -2.227 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 74 26.234 -1.125 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 74 23.869 -0.506 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.049 -2.270 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 74 23.389 -1.321 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.361 1.021 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.882 0.204 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.604 0.344 -4.268 1.00 0.00 H new ATOM 779 N GLY A 75 24.642 -4.352 -4.729 1.00 0.00 N ATOM 780 CA GLY A 75 24.364 -5.651 -5.328 1.00 0.00 C ATOM 781 C GLY A 75 22.954 -6.119 -4.982 1.00 0.00 C ATOM 782 O GLY A 75 22.201 -5.418 -4.303 1.00 0.00 O ATOM 0 H GLY A 75 24.004 -4.083 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.475 -5.588 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.091 -6.382 -4.975 1.00 0.00 H new ATOM 786 N ASN A 76 22.602 -7.309 -5.459 1.00 0.00 N ATOM 787 CA ASN A 76 21.278 -7.865 -5.201 1.00 0.00 C ATOM 788 C ASN A 76 21.335 -8.897 -4.079 1.00 0.00 C ATOM 789 O ASN A 76 22.391 -9.470 -3.798 1.00 0.00 O ATOM 790 CB ASN A 76 20.728 -8.518 -6.470 1.00 0.00 C ATOM 791 CG ASN A 76 20.624 -7.485 -7.586 1.00 0.00 C ATOM 792 OD1 ASN A 76 20.226 -6.346 -7.345 1.00 0.00 O ATOM 793 ND2 ASN A 76 20.959 -7.819 -8.802 1.00 0.00 N ATOM 0 H ASN A 76 23.210 -7.903 -6.022 1.00 0.00 H new ATOM 0 HA ASN A 76 20.619 -7.052 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 76 21.379 -9.335 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.747 -8.950 -6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 76 20.891 -7.135 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 76 21.289 -8.764 -8.999 1.00 0.00 H new ATOM 800 N PHE A 77 20.193 -9.129 -3.443 1.00 0.00 N ATOM 801 CA PHE A 77 20.113 -10.092 -2.352 1.00 0.00 C ATOM 802 C PHE A 77 18.690 -10.613 -2.192 1.00 0.00 C ATOM 803 O PHE A 77 17.732 -10.002 -2.670 1.00 0.00 O ATOM 804 CB PHE A 77 20.581 -9.443 -1.049 1.00 0.00 C ATOM 805 CG PHE A 77 19.866 -8.128 -0.860 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.612 -8.085 -0.241 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.466 -6.946 -1.310 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.957 -6.857 -0.074 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.812 -5.721 -1.142 1.00 0.00 C ATOM 810 CZ PHE A 77 18.558 -5.675 -0.524 1.00 0.00 C ATOM 0 H PHE A 77 19.312 -8.665 -3.663 1.00 0.00 H new ATOM 0 HA PHE A 77 20.763 -10.935 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.378 -10.104 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.659 -9.283 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.149 -8.997 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.434 -6.980 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.988 -6.822 0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.276 -4.810 -1.490 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.054 -4.729 -0.394 1.00 0.00 H new ATOM 820 N LYS A 78 18.562 -11.747 -1.518 1.00 0.00 N ATOM 821 CA LYS A 78 17.255 -12.350 -1.301 1.00 0.00 C ATOM 822 C LYS A 78 16.463 -11.568 -0.263 1.00 0.00 C ATOM 823 O LYS A 78 16.902 -11.397 0.874 1.00 0.00 O ATOM 824 CB LYS A 78 17.425 -13.799 -0.842 1.00 0.00 C ATOM 825 CG LYS A 78 17.855 -14.670 -2.023 1.00 0.00 C ATOM 826 CD LYS A 78 18.169 -16.083 -1.526 1.00 0.00 C ATOM 827 CE LYS A 78 18.568 -16.972 -2.705 1.00 0.00 C ATOM 828 NZ LYS A 78 17.393 -17.167 -3.602 1.00 0.00 N ATOM 0 H LYS A 78 19.342 -12.265 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 78 16.704 -12.328 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.170 -13.853 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.488 -14.171 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.063 -14.704 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 78 18.732 -14.239 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.976 -16.050 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.299 -16.502 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.389 -16.514 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.926 -17.936 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.565 -17.980 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.544 -17.346 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.249 -16.312 -4.176 1.00 0.00 H new ATOM 842 N PHE A 79 15.293 -11.097 -0.668 1.00 0.00 N ATOM 843 CA PHE A 79 14.438 -10.330 0.226 1.00 0.00 C ATOM 844 C PHE A 79 13.900 -11.212 1.351 1.00 0.00 C ATOM 845 O PHE A 79 13.620 -10.727 2.446 1.00 0.00 O ATOM 846 CB PHE A 79 13.278 -9.699 -0.552 1.00 0.00 C ATOM 847 CG PHE A 79 12.482 -10.779 -1.243 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.428 -11.411 -0.577 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.803 -11.144 -2.555 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.695 -12.412 -1.225 1.00 0.00 C ATOM 851 CE2 PHE A 79 12.074 -12.144 -3.202 1.00 0.00 C ATOM 852 CZ PHE A 79 11.018 -12.780 -2.537 1.00 0.00 C ATOM 0 H PHE A 79 14.915 -11.231 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 79 15.037 -9.534 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.635 -9.138 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.662 -8.991 -1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.180 -11.128 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.616 -10.652 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.880 -12.901 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.324 -12.427 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.453 -13.554 -3.036 1.00 0.00 H new ATOM 862 N ILE A 80 13.762 -12.507 1.080 1.00 0.00 N ATOM 863 CA ILE A 80 13.262 -13.440 2.090 1.00 0.00 C ATOM 864 C ILE A 80 14.220 -13.528 3.280 1.00 0.00 C ATOM 865 O ILE A 80 13.832 -13.953 4.370 1.00 0.00 O ATOM 866 CB ILE A 80 13.084 -14.828 1.466 1.00 0.00 C ATOM 867 CG1 ILE A 80 14.404 -15.268 0.835 1.00 0.00 C ATOM 868 CG2 ILE A 80 11.999 -14.775 0.385 1.00 0.00 C ATOM 869 CD1 ILE A 80 14.337 -16.751 0.470 1.00 0.00 C ATOM 0 H ILE A 80 13.986 -12.932 0.180 1.00 0.00 H new ATOM 0 HA ILE A 80 12.301 -13.073 2.451 1.00 0.00 H new ATOM 0 HB ILE A 80 12.788 -15.537 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.607 -14.674 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.226 -15.092 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.876 -15.764 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.057 -14.457 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.292 -14.066 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.281 -17.058 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.155 -17.339 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.527 -16.915 -0.241 1.00 0.00 H new ATOM 881 N TYR A 81 15.466 -13.118 3.068 1.00 0.00 N ATOM 882 CA TYR A 81 16.465 -13.144 4.125 1.00 0.00 C ATOM 883 C TYR A 81 16.683 -11.745 4.705 1.00 0.00 C ATOM 884 O TYR A 81 17.554 -11.539 5.555 1.00 0.00 O ATOM 885 CB TYR A 81 17.783 -13.696 3.565 1.00 0.00 C ATOM 886 CG TYR A 81 17.574 -15.109 3.046 1.00 0.00 C ATOM 887 CD1 TYR A 81 18.373 -15.587 1.999 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.589 -15.940 3.603 1.00 0.00 C ATOM 889 CE1 TYR A 81 18.188 -16.889 1.513 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.406 -17.239 3.116 1.00 0.00 C ATOM 891 CZ TYR A 81 17.206 -17.714 2.071 1.00 0.00 C ATOM 892 OH TYR A 81 17.026 -18.997 1.592 1.00 0.00 O ATOM 0 H TYR A 81 15.806 -12.764 2.174 1.00 0.00 H new ATOM 0 HA TYR A 81 16.110 -13.790 4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.144 -13.054 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.547 -13.694 4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 81 19.132 -14.952 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 81 15.971 -15.576 4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.805 -17.256 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.647 -17.875 3.547 1.00 0.00 H new ATOM 0 HH TYR A 81 16.304 -19.434 2.091 1.00 0.00 H new ATOM 902 N VAL A 82 15.881 -10.783 4.256 1.00 0.00 N ATOM 903 CA VAL A 82 16.005 -9.421 4.748 1.00 0.00 C ATOM 904 C VAL A 82 14.632 -8.852 5.081 1.00 0.00 C ATOM 905 O VAL A 82 13.623 -9.256 4.501 1.00 0.00 O ATOM 906 CB VAL A 82 16.665 -8.547 3.682 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.595 -8.013 2.718 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.396 -7.382 4.359 1.00 0.00 C ATOM 0 H VAL A 82 15.148 -10.922 3.561 1.00 0.00 H new ATOM 0 HA VAL A 82 16.617 -9.430 5.650 1.00 0.00 H new ATOM 0 HB VAL A 82 17.385 -9.139 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.068 -7.390 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.088 -8.850 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.869 -7.420 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.867 -6.758 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.682 -6.786 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.159 -7.773 5.032 1.00 0.00 H new ATOM 918 N ASP A 83 14.606 -7.907 6.007 1.00 0.00 N ATOM 919 CA ASP A 83 13.358 -7.274 6.402 1.00 0.00 C ATOM 920 C ASP A 83 13.354 -5.807 5.991 1.00 0.00 C ATOM 921 O ASP A 83 14.333 -5.084 6.203 1.00 0.00 O ATOM 922 CB ASP A 83 13.159 -7.395 7.913 1.00 0.00 C ATOM 923 CG ASP A 83 12.817 -8.835 8.279 1.00 0.00 C ATOM 924 OD1 ASP A 83 12.503 -9.596 7.378 1.00 0.00 O ATOM 925 OD2 ASP A 83 12.874 -9.156 9.454 1.00 0.00 O ATOM 0 H ASP A 83 15.431 -7.562 6.497 1.00 0.00 H new ATOM 0 HA ASP A 83 12.537 -7.782 5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.065 -7.084 8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.360 -6.729 8.238 1.00 0.00 H new ATOM 930 N VAL A 84 12.242 -5.375 5.403 1.00 0.00 N ATOM 931 CA VAL A 84 12.110 -3.990 4.962 1.00 0.00 C ATOM 932 C VAL A 84 11.760 -3.085 6.138 1.00 0.00 C ATOM 933 O VAL A 84 10.792 -3.331 6.856 1.00 0.00 O ATOM 934 CB VAL A 84 11.035 -3.870 3.869 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.775 -4.654 4.259 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.675 -2.393 3.679 1.00 0.00 C ATOM 0 H VAL A 84 11.425 -5.959 5.222 1.00 0.00 H new ATOM 0 HA VAL A 84 13.067 -3.673 4.548 1.00 0.00 H new ATOM 0 HB VAL A 84 11.429 -4.284 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.027 -4.556 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.027 -5.706 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.374 -4.258 5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.913 -2.301 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.292 -1.989 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.564 -1.837 3.381 1.00 0.00 H new ATOM 946 N ILE A 85 12.560 -2.039 6.330 1.00 0.00 N ATOM 947 CA ILE A 85 12.331 -1.101 7.426 1.00 0.00 C ATOM 948 C ILE A 85 12.166 0.318 6.887 1.00 0.00 C ATOM 949 O ILE A 85 12.938 0.769 6.034 1.00 0.00 O ATOM 950 CB ILE A 85 13.499 -1.164 8.424 1.00 0.00 C ATOM 951 CG1 ILE A 85 12.975 -1.659 9.778 1.00 0.00 C ATOM 952 CG2 ILE A 85 14.147 0.219 8.591 1.00 0.00 C ATOM 953 CD1 ILE A 85 14.124 -1.738 10.785 1.00 0.00 C ATOM 0 H ILE A 85 13.367 -1.820 5.746 1.00 0.00 H new ATOM 0 HA ILE A 85 11.413 -1.381 7.942 1.00 0.00 H new ATOM 0 HB ILE A 85 14.254 -1.852 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 85 12.202 -0.985 10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.513 -2.640 9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.971 0.151 9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.525 0.562 7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.405 0.926 8.962 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.744 -2.090 11.744 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.882 -2.430 10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.566 -0.750 10.911 1.00 0.00 H new ATOM 965 N SER A 86 11.155 1.018 7.392 1.00 0.00 N ATOM 966 CA SER A 86 10.895 2.383 6.958 1.00 0.00 C ATOM 967 C SER A 86 12.017 3.305 7.413 1.00 0.00 C ATOM 968 O SER A 86 12.562 3.141 8.505 1.00 0.00 O ATOM 969 CB SER A 86 9.565 2.872 7.535 1.00 0.00 C ATOM 970 OG SER A 86 8.504 2.086 7.007 1.00 0.00 O ATOM 0 H SER A 86 10.508 0.665 8.097 1.00 0.00 H new ATOM 0 HA SER A 86 10.843 2.397 5.869 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.579 2.800 8.623 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.413 3.922 7.287 1.00 0.00 H new ATOM 0 HG SER A 86 7.651 2.397 7.377 1.00 0.00 H new ATOM 976 N GLU A 87 12.354 4.275 6.572 1.00 0.00 N ATOM 977 CA GLU A 87 13.413 5.226 6.893 1.00 0.00 C ATOM 978 C GLU A 87 14.658 4.497 7.389 1.00 0.00 C ATOM 979 O GLU A 87 14.748 3.301 7.170 1.00 0.00 O ATOM 980 CB GLU A 87 12.925 6.202 7.967 1.00 0.00 C ATOM 981 CG GLU A 87 13.507 7.591 7.699 1.00 0.00 C ATOM 982 CD GLU A 87 12.850 8.616 8.617 1.00 0.00 C ATOM 983 OE1 GLU A 87 11.805 8.308 9.166 1.00 0.00 O ATOM 984 OE2 GLU A 87 13.401 9.697 8.756 1.00 0.00 O ATOM 0 H GLU A 87 11.912 4.424 5.665 1.00 0.00 H new ATOM 0 HA GLU A 87 13.669 5.778 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.836 6.246 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.228 5.854 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.585 7.581 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.346 7.867 6.657 1.00 0.00 H new