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 65 MET CE :methyl 157:sc= -0.451 (180deg=-1.23) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 161:sc= -0.019 (180deg=0) USER MOD Set 2.1: A 67 THR OG1 : rot -76:sc= 1.06 USER MOD Set 2.2: A 76 ASN : amide:sc= 0.992 K(o=2.1,f=-7.5!) USER MOD Set 3.1: A 40 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 16:sc= 0.288 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.108 F(o=-0.94,f=-0.11) 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 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 59:sc= 0.109 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 133:sc= -0.0324 (180deg=-0.411) USER MOD Single : A 59 CYS SG : rot -54:sc= 0.179 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0.722 (180deg=0.56) USER MOD Single : A 61 THR OG1 : rot -68:sc= 0.0788 USER MOD Single : A 63 MET CE :methyl -146:sc= -0.34 (180deg=-0.752) USER MOD Single : A 69 MET CE :methyl -160:sc= -0.182 (180deg=-1.23) USER MOD Single : A 71 ASN : amide:sc= -0.575 X(o=-0.57,f=-0.094) USER MOD Single : A 72 ASN : amide:sc= -0.295 K(o=-0.3,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 11.874 4.249 0.375 1.00 0.00 N ATOM 42 CA CYS A 28 13.255 3.948 0.701 1.00 0.00 C ATOM 43 C CYS A 28 13.445 3.923 2.211 1.00 0.00 C ATOM 44 O CYS A 28 12.732 4.599 2.952 1.00 0.00 O ATOM 45 CB CYS A 28 14.173 5.007 0.083 1.00 0.00 C ATOM 46 SG CYS A 28 13.898 6.597 0.906 1.00 0.00 S ATOM 0 HA CYS A 28 13.508 2.968 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.215 4.706 0.188 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.974 5.098 -0.985 1.00 0.00 H new ATOM 0 HG CYS A 28 13.261 6.403 2.023 1.00 0.00 H new ATOM 52 N GLY A 29 14.410 3.136 2.652 1.00 0.00 N ATOM 53 CA GLY A 29 14.695 3.011 4.079 1.00 0.00 C ATOM 54 C GLY A 29 15.851 2.046 4.327 1.00 0.00 C ATOM 55 O GLY A 29 16.699 1.842 3.458 1.00 0.00 O ATOM 0 H GLY A 29 15.010 2.574 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.940 3.990 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.805 2.659 4.601 1.00 0.00 H new ATOM 59 N ARG A 30 15.882 1.460 5.522 1.00 0.00 N ATOM 60 CA ARG A 30 16.943 0.522 5.872 1.00 0.00 C ATOM 61 C ARG A 30 16.382 -0.888 6.017 1.00 0.00 C ATOM 62 O ARG A 30 15.287 -1.081 6.544 1.00 0.00 O ATOM 63 CB ARG A 30 17.595 0.948 7.190 1.00 0.00 C ATOM 64 CG ARG A 30 18.189 2.350 7.041 1.00 0.00 C ATOM 65 CD ARG A 30 19.399 2.299 6.106 1.00 0.00 C ATOM 66 NE ARG A 30 20.071 3.591 6.093 1.00 0.00 N ATOM 67 CZ ARG A 30 20.877 3.964 7.088 1.00 0.00 C ATOM 68 NH1 ARG A 30 21.077 3.179 8.118 1.00 0.00 N ATOM 69 NH2 ARG A 30 21.468 5.127 7.041 1.00 0.00 N ATOM 0 H ARG A 30 15.192 1.616 6.257 1.00 0.00 H new ATOM 0 HA ARG A 30 17.687 0.526 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.857 0.938 7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.375 0.239 7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.438 3.033 6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.486 2.735 8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.091 1.523 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.079 2.035 5.098 1.00 0.00 H new ATOM 0 HE ARG A 30 19.922 4.224 5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.614 2.271 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.696 3.476 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 30 21.313 5.746 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.085 5.416 7.800 1.00 0.00 H new ATOM 83 N ALA A 31 17.137 -1.871 5.543 1.00 0.00 N ATOM 84 CA ALA A 31 16.702 -3.258 5.628 1.00 0.00 C ATOM 85 C ALA A 31 17.624 -4.051 6.546 1.00 0.00 C ATOM 86 O ALA A 31 18.815 -4.198 6.269 1.00 0.00 O ATOM 87 CB ALA A 31 16.699 -3.888 4.232 1.00 0.00 C ATOM 0 H ALA A 31 18.045 -1.735 5.100 1.00 0.00 H new ATOM 0 HA ALA A 31 15.693 -3.281 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.373 -4.926 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.017 -3.336 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.705 -3.851 3.814 1.00 0.00 H new ATOM 93 N ARG A 32 17.068 -4.561 7.641 1.00 0.00 N ATOM 94 CA ARG A 32 17.855 -5.338 8.591 1.00 0.00 C ATOM 95 C ARG A 32 17.803 -6.823 8.244 1.00 0.00 C ATOM 96 O ARG A 32 16.724 -7.407 8.136 1.00 0.00 O ATOM 97 CB ARG A 32 17.322 -5.124 10.006 1.00 0.00 C ATOM 98 CG ARG A 32 18.185 -5.905 10.998 1.00 0.00 C ATOM 99 CD ARG A 32 17.767 -5.544 12.420 1.00 0.00 C ATOM 100 NE ARG A 32 18.556 -6.296 13.390 1.00 0.00 N ATOM 101 CZ ARG A 32 18.489 -6.029 14.696 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.706 -5.078 15.144 1.00 0.00 N ATOM 103 NH2 ARG A 32 19.210 -6.720 15.535 1.00 0.00 N ATOM 0 H ARG A 32 16.085 -4.452 7.890 1.00 0.00 H new ATOM 0 HA ARG A 32 18.890 -5.001 8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.334 -4.063 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.285 -5.455 10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.070 -6.976 10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.238 -5.670 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.900 -4.475 12.584 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.707 -5.758 12.560 1.00 0.00 H new ATOM 0 HE ARG A 32 19.171 -7.041 13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.140 -4.534 14.493 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.662 -4.882 16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.822 -7.461 15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.162 -6.520 16.534 1.00 0.00 H new ATOM 117 N VAL A 33 18.973 -7.428 8.069 1.00 0.00 N ATOM 118 CA VAL A 33 19.046 -8.843 7.733 1.00 0.00 C ATOM 119 C VAL A 33 18.919 -9.699 8.987 1.00 0.00 C ATOM 120 O VAL A 33 19.624 -9.483 9.975 1.00 0.00 O ATOM 121 CB VAL A 33 20.372 -9.148 7.033 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.448 -10.641 6.706 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.465 -8.334 5.737 1.00 0.00 C ATOM 0 H VAL A 33 19.877 -6.964 8.154 1.00 0.00 H new ATOM 0 HA VAL A 33 18.221 -9.080 7.062 1.00 0.00 H new ATOM 0 HB VAL A 33 21.199 -8.880 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.393 -10.857 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.384 -11.219 7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.621 -10.912 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.409 -8.551 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.638 -8.601 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.414 -7.271 5.971 1.00 0.00 H new ATOM 133 N HIS A 34 18.019 -10.674 8.941 1.00 0.00 N ATOM 134 CA HIS A 34 17.809 -11.564 10.078 1.00 0.00 C ATOM 135 C HIS A 34 18.380 -12.948 9.796 1.00 0.00 C ATOM 136 O HIS A 34 18.610 -13.731 10.719 1.00 0.00 O ATOM 137 CB HIS A 34 16.319 -11.673 10.398 1.00 0.00 C ATOM 138 CG HIS A 34 15.837 -10.377 10.989 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.933 -9.448 10.550 1.00 0.00 N flip ATOM 140 CD2 HIS A 34 16.298 -9.909 12.210 1.00 0.00 C flip ATOM 141 CE1 HIS A 34 14.829 -8.415 11.478 1.00 0.00 C flip ATOM 142 NE2 HIS A 34 15.673 -8.743 12.459 1.00 0.00 N flip ATOM 0 H HIS A 34 17.426 -10.868 8.134 1.00 0.00 H new ATOM 0 HA HIS A 34 18.329 -11.143 10.938 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.758 -11.903 9.492 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.145 -12.491 11.097 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.026 -10.392 12.845 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.201 -7.538 11.417 1.00 0.00 H new ATOM 0 HE2 HIS A 34 15.826 -8.179 13.295 1.00 0.00 H new ATOM 150 N THR A 35 18.612 -13.246 8.521 1.00 0.00 N ATOM 151 CA THR A 35 19.161 -14.538 8.141 1.00 0.00 C ATOM 152 C THR A 35 20.439 -14.354 7.333 1.00 0.00 C ATOM 153 O THR A 35 20.497 -13.522 6.428 1.00 0.00 O ATOM 154 CB THR A 35 18.139 -15.321 7.321 1.00 0.00 C ATOM 155 OG1 THR A 35 16.967 -15.527 8.094 1.00 0.00 O ATOM 156 CG2 THR A 35 18.732 -16.668 6.908 1.00 0.00 C ATOM 0 H THR A 35 18.429 -12.614 7.741 1.00 0.00 H new ATOM 0 HA THR A 35 19.395 -15.096 9.048 1.00 0.00 H new ATOM 0 HB THR A 35 17.884 -14.755 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.311 -16.028 7.566 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.999 -17.224 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.626 -16.503 6.307 1.00 0.00 H new ATOM 0 HG23 THR A 35 18.994 -17.239 7.799 1.00 0.00 H new ATOM 164 N ASP A 36 21.464 -15.129 7.669 1.00 0.00 N ATOM 165 CA ASP A 36 22.740 -15.033 6.970 1.00 0.00 C ATOM 166 C ASP A 36 22.651 -15.684 5.594 1.00 0.00 C ATOM 167 O ASP A 36 22.476 -16.897 5.478 1.00 0.00 O ATOM 168 CB ASP A 36 23.836 -15.719 7.788 1.00 0.00 C ATOM 169 CG ASP A 36 25.189 -15.546 7.104 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.230 -14.910 6.064 1.00 0.00 O ATOM 171 OD2 ASP A 36 26.165 -16.054 7.631 1.00 0.00 O ATOM 0 H ASP A 36 21.438 -15.825 8.414 1.00 0.00 H new ATOM 0 HA ASP A 36 22.983 -13.978 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.871 -15.295 8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.609 -16.779 7.898 1.00 0.00 H new ATOM 176 N PHE A 37 22.778 -14.866 4.552 1.00 0.00 N ATOM 177 CA PHE A 37 22.715 -15.371 3.185 1.00 0.00 C ATOM 178 C PHE A 37 24.028 -15.110 2.464 1.00 0.00 C ATOM 179 O PHE A 37 24.494 -13.971 2.398 1.00 0.00 O ATOM 180 CB PHE A 37 21.562 -14.703 2.432 1.00 0.00 C ATOM 181 CG PHE A 37 21.603 -15.111 0.978 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.934 -16.427 0.633 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.312 -14.174 -0.024 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.974 -16.807 -0.714 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.350 -14.557 -1.369 1.00 0.00 C ATOM 186 CZ PHE A 37 21.684 -15.872 -1.714 1.00 0.00 C ATOM 0 H PHE A 37 22.924 -13.859 4.627 1.00 0.00 H new ATOM 0 HA PHE A 37 22.542 -16.447 3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.609 -14.993 2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.637 -13.619 2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 37 22.158 -17.148 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.059 -13.158 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 37 22.229 -17.822 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.122 -13.838 -2.142 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.718 -16.165 -2.753 1.00 0.00 H new ATOM 196 N THR A 38 24.621 -16.168 1.923 1.00 0.00 N ATOM 197 CA THR A 38 25.878 -16.023 1.214 1.00 0.00 C ATOM 198 C THR A 38 25.826 -16.754 -0.139 1.00 0.00 C ATOM 199 O THR A 38 25.373 -17.896 -0.213 1.00 0.00 O ATOM 200 CB THR A 38 27.026 -16.587 2.047 1.00 0.00 C ATOM 201 OG1 THR A 38 28.248 -16.411 1.340 1.00 0.00 O ATOM 202 CG2 THR A 38 26.792 -18.075 2.302 1.00 0.00 C ATOM 0 H THR A 38 24.256 -17.120 1.962 1.00 0.00 H new ATOM 0 HA THR A 38 26.045 -14.960 1.039 1.00 0.00 H new ATOM 0 HB THR A 38 27.077 -16.063 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.988 -16.770 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.613 -18.476 2.897 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.854 -18.209 2.841 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.742 -18.604 1.350 1.00 0.00 H new ATOM 210 N PRO A 39 26.278 -16.127 -1.198 1.00 0.00 N ATOM 211 CA PRO A 39 26.284 -16.737 -2.560 1.00 0.00 C ATOM 212 C PRO A 39 27.347 -17.817 -2.707 1.00 0.00 C ATOM 213 O PRO A 39 28.241 -17.945 -1.870 1.00 0.00 O ATOM 214 CB PRO A 39 26.572 -15.553 -3.482 1.00 0.00 C ATOM 215 CG PRO A 39 27.329 -14.579 -2.645 1.00 0.00 C ATOM 216 CD PRO A 39 26.842 -14.769 -1.218 1.00 0.00 C ATOM 0 HA PRO A 39 25.345 -17.242 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.155 -15.863 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 39 25.648 -15.114 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.402 -14.758 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 39 27.153 -13.558 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.659 -14.668 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 39 26.092 -14.024 -0.952 1.00 0.00 H new ATOM 224 N SER A 40 27.241 -18.597 -3.776 1.00 0.00 N ATOM 225 CA SER A 40 28.193 -19.669 -4.019 1.00 0.00 C ATOM 226 C SER A 40 29.593 -19.099 -4.251 1.00 0.00 C ATOM 227 O SER A 40 29.745 -17.940 -4.638 1.00 0.00 O ATOM 228 CB SER A 40 27.764 -20.486 -5.238 1.00 0.00 C ATOM 229 OG SER A 40 26.602 -21.240 -4.917 1.00 0.00 O ATOM 0 H SER A 40 26.511 -18.507 -4.482 1.00 0.00 H new ATOM 0 HA SER A 40 28.215 -20.315 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.560 -19.824 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.570 -21.153 -5.545 1.00 0.00 H new ATOM 0 HG SER A 40 26.233 -21.636 -5.734 1.00 0.00 H new ATOM 235 N PRO A 41 30.611 -19.881 -4.012 1.00 0.00 N ATOM 236 CA PRO A 41 32.026 -19.439 -4.194 1.00 0.00 C ATOM 237 C PRO A 41 32.312 -18.988 -5.621 1.00 0.00 C ATOM 238 O PRO A 41 33.195 -18.162 -5.854 1.00 0.00 O ATOM 239 CB PRO A 41 32.848 -20.686 -3.836 1.00 0.00 C ATOM 240 CG PRO A 41 31.896 -21.831 -3.927 1.00 0.00 C ATOM 241 CD PRO A 41 30.539 -21.271 -3.547 1.00 0.00 C ATOM 0 HA PRO A 41 32.265 -18.574 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 41 33.684 -20.815 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.269 -20.604 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 41 31.879 -22.247 -4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 41 32.189 -22.637 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 41 29.728 -21.816 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 41 30.366 -21.328 -2.472 1.00 0.00 H new ATOM 249 N TYR A 42 31.566 -19.533 -6.576 1.00 0.00 N ATOM 250 CA TYR A 42 31.752 -19.174 -7.976 1.00 0.00 C ATOM 251 C TYR A 42 30.710 -18.146 -8.411 1.00 0.00 C ATOM 252 O TYR A 42 30.416 -18.012 -9.600 1.00 0.00 O ATOM 253 CB TYR A 42 31.638 -20.422 -8.853 1.00 0.00 C ATOM 254 CG TYR A 42 30.301 -21.085 -8.617 1.00 0.00 C ATOM 255 CD1 TYR A 42 29.167 -20.629 -9.298 1.00 0.00 C ATOM 256 CD2 TYR A 42 30.196 -22.155 -7.721 1.00 0.00 C ATOM 257 CE1 TYR A 42 27.927 -21.243 -9.084 1.00 0.00 C ATOM 258 CE2 TYR A 42 28.957 -22.771 -7.507 1.00 0.00 C ATOM 259 CZ TYR A 42 27.821 -22.313 -8.187 1.00 0.00 C ATOM 260 OH TYR A 42 26.598 -22.915 -7.974 1.00 0.00 O ATOM 0 H TYR A 42 30.832 -20.221 -6.407 1.00 0.00 H new ATOM 0 HA TYR A 42 32.744 -18.738 -8.091 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.741 -20.151 -9.904 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.446 -21.116 -8.622 1.00 0.00 H new ATOM 0 HD1 TYR A 42 29.248 -19.803 -9.989 1.00 0.00 H new ATOM 0 HD2 TYR A 42 31.071 -22.506 -7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 42 27.052 -20.891 -9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 42 28.877 -23.599 -6.818 1.00 0.00 H new ATOM 0 HH TYR A 42 26.700 -23.641 -7.324 1.00 0.00 H new ATOM 270 N ASP A 43 30.158 -17.418 -7.444 1.00 0.00 N ATOM 271 CA ASP A 43 29.159 -16.401 -7.744 1.00 0.00 C ATOM 272 C ASP A 43 29.696 -15.012 -7.411 1.00 0.00 C ATOM 273 O ASP A 43 29.921 -14.690 -6.245 1.00 0.00 O ATOM 274 CB ASP A 43 27.878 -16.663 -6.947 1.00 0.00 C ATOM 275 CG ASP A 43 27.115 -17.832 -7.563 1.00 0.00 C ATOM 276 OD1 ASP A 43 27.498 -18.262 -8.638 1.00 0.00 O ATOM 277 OD2 ASP A 43 26.152 -18.269 -6.957 1.00 0.00 O ATOM 0 H ASP A 43 30.384 -17.513 -6.454 1.00 0.00 H new ATOM 0 HA ASP A 43 28.932 -16.447 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 43 28.124 -16.884 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 43 27.252 -15.770 -6.943 1.00 0.00 H new ATOM 282 N THR A 44 29.895 -14.195 -8.441 1.00 0.00 N ATOM 283 CA THR A 44 30.401 -12.839 -8.241 1.00 0.00 C ATOM 284 C THR A 44 29.318 -11.808 -8.551 1.00 0.00 C ATOM 285 O THR A 44 29.441 -10.638 -8.188 1.00 0.00 O ATOM 286 CB THR A 44 31.607 -12.595 -9.146 1.00 0.00 C ATOM 287 OG1 THR A 44 31.201 -12.673 -10.505 1.00 0.00 O ATOM 288 CG2 THR A 44 32.667 -13.659 -8.873 1.00 0.00 C ATOM 0 H THR A 44 29.716 -14.444 -9.414 1.00 0.00 H new ATOM 0 HA THR A 44 30.699 -12.735 -7.198 1.00 0.00 H new ATOM 0 HB THR A 44 32.020 -11.607 -8.945 1.00 0.00 H new ATOM 0 HG1 THR A 44 31.974 -12.515 -11.087 1.00 0.00 H new ATOM 0 HG21 THR A 44 33.529 -13.487 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 44 32.977 -13.604 -7.830 1.00 0.00 H new ATOM 0 HG23 THR A 44 32.252 -14.646 -9.077 1.00 0.00 H new ATOM 296 N ASP A 45 28.261 -12.249 -9.223 1.00 0.00 N ATOM 297 CA ASP A 45 27.161 -11.360 -9.572 1.00 0.00 C ATOM 298 C ASP A 45 26.119 -11.319 -8.454 1.00 0.00 C ATOM 299 O ASP A 45 25.024 -10.791 -8.638 1.00 0.00 O ATOM 300 CB ASP A 45 26.504 -11.830 -10.871 1.00 0.00 C ATOM 301 CG ASP A 45 25.910 -13.225 -10.685 1.00 0.00 C ATOM 302 OD1 ASP A 45 26.089 -13.788 -9.618 1.00 0.00 O ATOM 303 OD2 ASP A 45 25.285 -13.707 -11.614 1.00 0.00 O ATOM 0 H ASP A 45 28.143 -13.213 -9.536 1.00 0.00 H new ATOM 0 HA ASP A 45 27.562 -10.356 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.722 -11.130 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.240 -11.844 -11.675 1.00 0.00 H new ATOM 308 N SER A 46 26.463 -11.884 -7.296 1.00 0.00 N ATOM 309 CA SER A 46 25.547 -11.909 -6.167 1.00 0.00 C ATOM 310 C SER A 46 26.130 -11.123 -4.994 1.00 0.00 C ATOM 311 O SER A 46 27.341 -10.922 -4.913 1.00 0.00 O ATOM 312 CB SER A 46 25.295 -13.353 -5.739 1.00 0.00 C ATOM 313 OG SER A 46 24.688 -14.061 -6.810 1.00 0.00 O ATOM 0 H SER A 46 27.365 -12.327 -7.121 1.00 0.00 H new ATOM 0 HA SER A 46 24.606 -11.449 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 46 26.234 -13.830 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.650 -13.377 -4.860 1.00 0.00 H new ATOM 0 HG SER A 46 25.272 -14.028 -7.597 1.00 0.00 H new ATOM 319 N LEU A 47 25.259 -10.679 -4.093 1.00 0.00 N ATOM 320 CA LEU A 47 25.697 -9.915 -2.936 1.00 0.00 C ATOM 321 C LEU A 47 25.662 -10.785 -1.682 1.00 0.00 C ATOM 322 O LEU A 47 24.707 -11.528 -1.458 1.00 0.00 O ATOM 323 CB LEU A 47 24.791 -8.699 -2.743 1.00 0.00 C ATOM 324 CG LEU A 47 25.250 -7.900 -1.520 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.663 -7.359 -1.757 1.00 0.00 C ATOM 326 CD2 LEU A 47 24.288 -6.737 -1.287 1.00 0.00 C ATOM 0 H LEU A 47 24.252 -10.835 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 47 26.720 -9.580 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.818 -8.069 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.758 -9.021 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 47 25.258 -8.549 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.986 -6.791 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.348 -8.191 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.662 -6.710 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.612 -6.166 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.281 -6.090 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.284 -7.124 -1.114 1.00 0.00 H new ATOM 338 N LYS A 48 26.706 -10.684 -0.864 1.00 0.00 N ATOM 339 CA LYS A 48 26.777 -11.462 0.369 1.00 0.00 C ATOM 340 C LYS A 48 26.301 -10.626 1.553 1.00 0.00 C ATOM 341 O LYS A 48 26.813 -9.534 1.799 1.00 0.00 O ATOM 342 CB LYS A 48 28.215 -11.924 0.606 1.00 0.00 C ATOM 343 CG LYS A 48 28.296 -12.681 1.934 1.00 0.00 C ATOM 344 CD LYS A 48 28.887 -11.766 3.008 1.00 0.00 C ATOM 345 CE LYS A 48 29.158 -12.580 4.275 1.00 0.00 C ATOM 346 NZ LYS A 48 29.891 -11.737 5.261 1.00 0.00 N ATOM 0 H LYS A 48 27.508 -10.076 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 48 26.129 -12.333 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.541 -12.567 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.886 -11.065 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.304 -13.018 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.914 -13.572 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.811 -11.314 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.197 -10.951 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.218 -12.927 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.744 -13.466 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.075 -12.291 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.794 -11.427 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.316 -10.904 5.501 1.00 0.00 H new ATOM 360 N ILE A 49 25.318 -11.143 2.284 1.00 0.00 N ATOM 361 CA ILE A 49 24.783 -10.433 3.439 1.00 0.00 C ATOM 362 C ILE A 49 24.775 -11.339 4.668 1.00 0.00 C ATOM 363 O ILE A 49 24.788 -12.567 4.549 1.00 0.00 O ATOM 364 CB ILE A 49 23.357 -9.961 3.140 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.450 -11.174 2.899 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.366 -9.084 1.887 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.000 -10.707 2.773 1.00 0.00 C ATOM 0 H ILE A 49 24.879 -12.045 2.098 1.00 0.00 H new ATOM 0 HA ILE A 49 25.418 -9.571 3.643 1.00 0.00 H new ATOM 0 HB ILE A 49 22.981 -9.390 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.756 -11.696 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.545 -11.882 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.352 -8.747 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.009 -8.219 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.744 -9.660 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.354 -11.568 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.698 -10.204 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.912 -10.015 1.935 1.00 0.00 H new ATOM 379 N LYS A 50 24.742 -10.728 5.846 1.00 0.00 N ATOM 380 CA LYS A 50 24.727 -11.490 7.088 1.00 0.00 C ATOM 381 C LYS A 50 23.750 -10.873 8.086 1.00 0.00 C ATOM 382 O LYS A 50 23.360 -9.713 7.955 1.00 0.00 O ATOM 383 CB LYS A 50 26.129 -11.523 7.700 1.00 0.00 C ATOM 384 CG LYS A 50 26.559 -10.103 8.073 1.00 0.00 C ATOM 385 CD LYS A 50 27.960 -10.138 8.684 1.00 0.00 C ATOM 386 CE LYS A 50 28.389 -8.717 9.053 1.00 0.00 C ATOM 387 NZ LYS A 50 29.748 -8.750 9.661 1.00 0.00 N ATOM 0 H LYS A 50 24.725 -9.715 5.967 1.00 0.00 H new ATOM 0 HA LYS A 50 24.405 -12.507 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.136 -12.160 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.836 -11.954 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.552 -9.466 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.852 -9.672 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.967 -10.773 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.667 -10.571 7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.392 -8.085 8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.676 -8.281 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.040 -7.784 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.731 -9.340 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 30.424 -9.149 8.979 1.00 0.00 H new ATOM 401 N LYS A 51 23.353 -11.658 9.080 1.00 0.00 N ATOM 402 CA LYS A 51 22.419 -11.176 10.091 1.00 0.00 C ATOM 403 C LYS A 51 23.026 -10.019 10.881 1.00 0.00 C ATOM 404 O LYS A 51 24.200 -10.049 11.248 1.00 0.00 O ATOM 405 CB LYS A 51 22.053 -12.313 11.047 1.00 0.00 C ATOM 406 CG LYS A 51 23.313 -12.797 11.770 1.00 0.00 C ATOM 407 CD LYS A 51 22.955 -13.953 12.704 1.00 0.00 C ATOM 408 CE LYS A 51 24.233 -14.518 13.328 1.00 0.00 C ATOM 409 NZ LYS A 51 24.893 -13.467 14.153 1.00 0.00 N ATOM 0 H LYS A 51 23.659 -12.622 9.208 1.00 0.00 H new ATOM 0 HA LYS A 51 21.521 -10.821 9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.314 -11.970 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 51 21.599 -13.136 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 51 24.060 -13.120 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.755 -11.979 12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.278 -13.607 13.485 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.432 -14.733 12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 51 23.996 -15.384 13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.911 -14.860 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 25.160 -13.866 15.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.745 -13.126 13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.235 -12.674 14.296 1.00 0.00 H new ATOM 423 N GLY A 52 22.217 -8.997 11.129 1.00 0.00 N ATOM 424 CA GLY A 52 22.681 -7.828 11.869 1.00 0.00 C ATOM 425 C GLY A 52 23.211 -6.753 10.920 1.00 0.00 C ATOM 426 O GLY A 52 23.444 -5.617 11.329 1.00 0.00 O ATOM 0 H GLY A 52 21.242 -8.952 10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.863 -7.422 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.466 -8.122 12.566 1.00 0.00 H new ATOM 430 N ASP A 53 23.395 -7.116 9.650 1.00 0.00 N ATOM 431 CA ASP A 53 23.890 -6.173 8.658 1.00 0.00 C ATOM 432 C ASP A 53 22.764 -5.263 8.179 1.00 0.00 C ATOM 433 O ASP A 53 21.602 -5.668 8.132 1.00 0.00 O ATOM 434 CB ASP A 53 24.479 -6.931 7.470 1.00 0.00 C ATOM 435 CG ASP A 53 25.322 -5.990 6.620 1.00 0.00 C ATOM 436 OD1 ASP A 53 25.511 -4.857 7.036 1.00 0.00 O ATOM 437 OD2 ASP A 53 25.767 -6.413 5.567 1.00 0.00 O ATOM 0 H ASP A 53 23.209 -8.052 9.290 1.00 0.00 H new ATOM 0 HA ASP A 53 24.666 -5.560 9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 53 25.090 -7.761 7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 53 23.678 -7.360 6.868 1.00 0.00 H new ATOM 442 N ILE A 54 23.115 -4.031 7.824 1.00 0.00 N ATOM 443 CA ILE A 54 22.122 -3.072 7.353 1.00 0.00 C ATOM 444 C ILE A 54 22.315 -2.794 5.867 1.00 0.00 C ATOM 445 O ILE A 54 23.417 -2.469 5.425 1.00 0.00 O ATOM 446 CB ILE A 54 22.240 -1.764 8.137 1.00 0.00 C ATOM 447 CG1 ILE A 54 22.205 -2.064 9.642 1.00 0.00 C ATOM 448 CG2 ILE A 54 21.077 -0.838 7.772 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.931 -2.841 10.002 1.00 0.00 C ATOM 0 H ILE A 54 24.071 -3.675 7.853 1.00 0.00 H new ATOM 0 HA ILE A 54 21.131 -3.498 7.509 1.00 0.00 H new ATOM 0 HB ILE A 54 23.182 -1.276 7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 54 23.084 -2.643 9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.242 -1.132 10.206 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.164 0.093 8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.105 -0.623 6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.133 -1.324 8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.920 -3.046 11.072 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.056 -2.247 9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.911 -3.782 9.452 1.00 0.00 H new ATOM 461 N ILE A 55 21.238 -2.931 5.102 1.00 0.00 N ATOM 462 CA ILE A 55 21.291 -2.700 3.664 1.00 0.00 C ATOM 463 C ILE A 55 20.429 -1.507 3.276 1.00 0.00 C ATOM 464 O ILE A 55 19.292 -1.378 3.731 1.00 0.00 O ATOM 465 CB ILE A 55 20.812 -3.942 2.915 1.00 0.00 C ATOM 466 CG1 ILE A 55 21.741 -5.111 3.232 1.00 0.00 C ATOM 467 CG2 ILE A 55 20.835 -3.668 1.412 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.137 -6.412 2.703 1.00 0.00 C ATOM 0 H ILE A 55 20.319 -3.200 5.453 1.00 0.00 H new ATOM 0 HA ILE A 55 22.325 -2.488 3.392 1.00 0.00 H new ATOM 0 HB ILE A 55 19.796 -4.188 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.719 -4.943 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.896 -5.183 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.493 -4.553 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.177 -2.830 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.851 -3.425 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.805 -7.243 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.170 -6.583 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.005 -6.340 1.623 1.00 0.00 H new ATOM 480 N ASP A 56 20.975 -0.635 2.436 1.00 0.00 N ATOM 481 CA ASP A 56 20.240 0.547 1.996 1.00 0.00 C ATOM 482 C ASP A 56 19.299 0.196 0.847 1.00 0.00 C ATOM 483 O ASP A 56 19.744 -0.123 -0.255 1.00 0.00 O ATOM 484 CB ASP A 56 21.218 1.633 1.548 1.00 0.00 C ATOM 485 CG ASP A 56 20.451 2.884 1.131 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.830 3.489 1.990 1.00 0.00 O ATOM 487 OD2 ASP A 56 20.498 3.221 -0.041 1.00 0.00 O ATOM 0 H ASP A 56 21.915 -0.722 2.049 1.00 0.00 H new ATOM 0 HA ASP A 56 19.648 0.917 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.906 1.871 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.820 1.271 0.715 1.00 0.00 H new ATOM 492 N ILE A 57 17.997 0.255 1.112 1.00 0.00 N ATOM 493 CA ILE A 57 17.005 -0.064 0.090 1.00 0.00 C ATOM 494 C ILE A 57 17.089 0.921 -1.070 1.00 0.00 C ATOM 495 O ILE A 57 17.114 2.135 -0.867 1.00 0.00 O ATOM 496 CB ILE A 57 15.601 -0.016 0.694 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.459 -1.118 1.745 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.560 -0.226 -0.408 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.165 -0.906 2.535 1.00 0.00 C ATOM 0 H ILE A 57 17.607 0.518 2.017 1.00 0.00 H new ATOM 0 HA ILE A 57 17.210 -1.067 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 57 15.442 0.956 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.447 -2.096 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.315 -1.105 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.560 -0.191 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.659 0.560 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.719 -1.197 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.063 -1.691 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.195 0.065 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.314 -0.941 1.855 1.00 0.00 H new ATOM 511 N ILE A 58 17.133 0.389 -2.289 1.00 0.00 N ATOM 512 CA ILE A 58 17.215 1.233 -3.475 1.00 0.00 C ATOM 513 C ILE A 58 15.933 1.137 -4.295 1.00 0.00 C ATOM 514 O ILE A 58 15.210 2.120 -4.454 1.00 0.00 O ATOM 515 CB ILE A 58 18.405 0.801 -4.335 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.708 1.103 -3.589 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.390 1.570 -5.659 1.00 0.00 C ATOM 518 CD1 ILE A 58 20.875 0.411 -4.296 1.00 0.00 C ATOM 0 H ILE A 58 17.113 -0.613 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 58 17.349 2.266 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 58 18.336 -0.268 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.878 2.179 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.637 0.757 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.238 1.260 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.463 1.358 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.458 2.639 -5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.802 0.627 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.706 -0.666 -4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.950 0.779 -5.319 1.00 0.00 H new ATOM 530 N CYS A 59 15.657 -0.056 -4.816 1.00 0.00 N ATOM 531 CA CYS A 59 14.460 -0.271 -5.622 1.00 0.00 C ATOM 532 C CYS A 59 14.027 -1.732 -5.560 1.00 0.00 C ATOM 533 O CYS A 59 14.858 -2.639 -5.602 1.00 0.00 O ATOM 534 CB CYS A 59 14.727 0.125 -7.073 1.00 0.00 C ATOM 535 SG CYS A 59 13.203 -0.049 -8.033 1.00 0.00 S ATOM 0 H CYS A 59 16.242 -0.883 -4.695 1.00 0.00 H new ATOM 0 HA CYS A 59 13.659 0.350 -5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.085 1.154 -7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.510 -0.505 -7.495 1.00 0.00 H new ATOM 0 HG CYS A 59 12.736 -1.254 -7.892 1.00 0.00 H new ATOM 541 N LYS A 60 12.721 -1.953 -5.458 1.00 0.00 N ATOM 542 CA LYS A 60 12.191 -3.310 -5.388 1.00 0.00 C ATOM 543 C LYS A 60 11.846 -3.814 -6.782 1.00 0.00 C ATOM 544 O LYS A 60 11.551 -3.022 -7.677 1.00 0.00 O ATOM 545 CB LYS A 60 10.940 -3.340 -4.510 1.00 0.00 C ATOM 546 CG LYS A 60 11.294 -2.829 -3.114 1.00 0.00 C ATOM 547 CD LYS A 60 10.054 -2.885 -2.221 1.00 0.00 C ATOM 548 CE LYS A 60 10.360 -2.208 -0.884 1.00 0.00 C ATOM 549 NZ LYS A 60 11.487 -2.915 -0.210 1.00 0.00 N ATOM 0 H LYS A 60 12.015 -1.217 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 60 12.952 -3.957 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.158 -2.721 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.547 -4.355 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.092 -3.435 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.667 -1.806 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.217 -2.387 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.757 -3.921 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.619 -1.162 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.476 -2.223 -0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.572 -2.578 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.304 -3.939 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.372 -2.722 -0.720 1.00 0.00 H new ATOM 563 N THR A 61 11.883 -5.132 -6.959 1.00 0.00 N ATOM 564 CA THR A 61 11.568 -5.712 -8.257 1.00 0.00 C ATOM 565 C THR A 61 10.453 -6.754 -8.128 1.00 0.00 C ATOM 566 O THR A 61 10.303 -7.390 -7.082 1.00 0.00 O ATOM 567 CB THR A 61 12.812 -6.377 -8.849 1.00 0.00 C ATOM 568 OG1 THR A 61 13.248 -7.416 -7.985 1.00 0.00 O ATOM 569 CG2 THR A 61 13.922 -5.339 -9.002 1.00 0.00 C ATOM 0 H THR A 61 12.124 -5.807 -6.233 1.00 0.00 H new ATOM 0 HA THR A 61 11.231 -4.911 -8.915 1.00 0.00 H new ATOM 0 HB THR A 61 12.571 -6.795 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.579 -7.028 -7.148 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.808 -5.813 -9.424 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.586 -4.542 -9.666 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.165 -4.920 -8.026 1.00 0.00 H new ATOM 577 N PRO A 62 9.683 -6.948 -9.171 1.00 0.00 N ATOM 578 CA PRO A 62 8.560 -7.934 -9.179 1.00 0.00 C ATOM 579 C PRO A 62 9.048 -9.369 -9.008 1.00 0.00 C ATOM 580 O PRO A 62 8.278 -10.258 -8.648 1.00 0.00 O ATOM 581 CB PRO A 62 7.900 -7.729 -10.550 1.00 0.00 C ATOM 582 CG PRO A 62 8.947 -7.095 -11.401 1.00 0.00 C ATOM 583 CD PRO A 62 9.797 -6.253 -10.463 1.00 0.00 C ATOM 0 HA PRO A 62 7.873 -7.776 -8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.571 -8.678 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.019 -7.092 -10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.552 -7.850 -11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.497 -6.478 -12.179 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.832 -6.200 -10.799 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.430 -5.229 -10.401 1.00 0.00 H new ATOM 591 N MET A 63 10.331 -9.584 -9.266 1.00 0.00 N ATOM 592 CA MET A 63 10.914 -10.912 -9.137 1.00 0.00 C ATOM 593 C MET A 63 10.806 -11.396 -7.697 1.00 0.00 C ATOM 594 O MET A 63 10.569 -12.577 -7.448 1.00 0.00 O ATOM 595 CB MET A 63 12.385 -10.878 -9.564 1.00 0.00 C ATOM 596 CG MET A 63 12.493 -10.618 -11.073 1.00 0.00 C ATOM 597 SD MET A 63 11.752 -11.990 -11.997 1.00 0.00 S ATOM 598 CE MET A 63 10.217 -11.153 -12.468 1.00 0.00 C ATOM 0 H MET A 63 10.985 -8.860 -9.564 1.00 0.00 H new ATOM 0 HA MET A 63 10.368 -11.600 -9.783 1.00 0.00 H new ATOM 0 HB2 MET A 63 12.913 -10.098 -9.015 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.865 -11.824 -9.315 1.00 0.00 H new ATOM 0 HG2 MET A 63 11.989 -9.685 -11.326 1.00 0.00 H new ATOM 0 HG3 MET A 63 13.539 -10.502 -11.356 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.401 -11.875 -12.490 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.991 -10.372 -11.742 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.334 -10.707 -13.456 1.00 0.00 H new ATOM 608 N GLY A 64 10.979 -10.478 -6.752 1.00 0.00 N ATOM 609 CA GLY A 64 10.896 -10.829 -5.339 1.00 0.00 C ATOM 610 C GLY A 64 12.157 -10.408 -4.595 1.00 0.00 C ATOM 611 O GLY A 64 12.085 -9.849 -3.501 1.00 0.00 O ATOM 0 H GLY A 64 11.176 -9.494 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.027 -10.346 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.751 -11.904 -5.236 1.00 0.00 H new ATOM 615 N MET A 65 13.309 -10.670 -5.198 1.00 0.00 N ATOM 616 CA MET A 65 14.578 -10.307 -4.578 1.00 0.00 C ATOM 617 C MET A 65 14.667 -8.798 -4.393 1.00 0.00 C ATOM 618 O MET A 65 14.222 -8.028 -5.244 1.00 0.00 O ATOM 619 CB MET A 65 15.744 -10.789 -5.441 1.00 0.00 C ATOM 620 CG MET A 65 15.991 -12.277 -5.194 1.00 0.00 C ATOM 621 SD MET A 65 17.417 -12.820 -6.167 1.00 0.00 S ATOM 622 CE MET A 65 17.767 -14.328 -5.229 1.00 0.00 C ATOM 0 H MET A 65 13.392 -11.127 -6.106 1.00 0.00 H new ATOM 0 HA MET A 65 14.633 -10.787 -3.601 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.524 -10.618 -6.495 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.642 -10.218 -5.206 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.171 -12.456 -4.134 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.108 -12.854 -5.469 1.00 0.00 H new ATOM 0 HE1 MET A 65 18.321 -15.026 -5.856 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.361 -14.080 -4.349 1.00 0.00 H new ATOM 0 HE3 MET A 65 16.830 -14.787 -4.916 1.00 0.00 H new ATOM 632 N TRP A 66 15.244 -8.383 -3.269 1.00 0.00 N ATOM 633 CA TRP A 66 15.387 -6.962 -2.968 1.00 0.00 C ATOM 634 C TRP A 66 16.762 -6.447 -3.372 1.00 0.00 C ATOM 635 O TRP A 66 17.756 -7.173 -3.312 1.00 0.00 O ATOM 636 CB TRP A 66 15.164 -6.715 -1.472 1.00 0.00 C ATOM 637 CG TRP A 66 13.698 -6.685 -1.170 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.720 -7.143 -1.984 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.029 -6.179 0.024 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.497 -6.940 -1.378 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.633 -6.351 -0.135 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.493 -5.588 1.214 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.731 -5.954 0.857 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.588 -5.190 2.211 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.211 -5.370 2.031 1.00 0.00 C ATOM 0 H TRP A 66 15.619 -9.007 -2.554 1.00 0.00 H new ATOM 0 HA TRP A 66 14.635 -6.421 -3.543 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.647 -7.499 -0.890 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.623 -5.771 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.872 -7.595 -2.953 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.602 -7.194 -1.796 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.553 -5.440 1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.670 -6.098 0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.956 -4.742 3.122 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.520 -5.057 2.800 1.00 0.00 H new ATOM 656 N THR A 67 16.807 -5.185 -3.786 1.00 0.00 N ATOM 657 CA THR A 67 18.059 -4.571 -4.205 1.00 0.00 C ATOM 658 C THR A 67 18.464 -3.488 -3.215 1.00 0.00 C ATOM 659 O THR A 67 17.630 -2.700 -2.769 1.00 0.00 O ATOM 660 CB THR A 67 17.924 -3.973 -5.609 1.00 0.00 C ATOM 661 OG1 THR A 67 17.554 -4.994 -6.521 1.00 0.00 O ATOM 662 CG2 THR A 67 19.268 -3.374 -6.035 1.00 0.00 C ATOM 0 H THR A 67 15.994 -4.571 -3.840 1.00 0.00 H new ATOM 0 HA THR A 67 18.831 -5.341 -4.230 1.00 0.00 H new ATOM 0 HB THR A 67 17.161 -3.194 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.333 -5.556 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.176 -2.947 -7.034 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.557 -2.593 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.028 -4.155 -6.043 1.00 0.00 H new ATOM 670 N GLY A 68 19.747 -3.451 -2.873 1.00 0.00 N ATOM 671 CA GLY A 68 20.239 -2.453 -1.927 1.00 0.00 C ATOM 672 C GLY A 68 21.740 -2.244 -2.090 1.00 0.00 C ATOM 673 O GLY A 68 22.350 -2.766 -3.021 1.00 0.00 O ATOM 0 H GLY A 68 20.457 -4.090 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.717 -1.509 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.021 -2.773 -0.908 1.00 0.00 H new ATOM 677 N MET A 69 22.326 -1.472 -1.180 1.00 0.00 N ATOM 678 CA MET A 69 23.757 -1.193 -1.230 1.00 0.00 C ATOM 679 C MET A 69 24.439 -1.690 0.038 1.00 0.00 C ATOM 680 O MET A 69 23.893 -1.564 1.140 1.00 0.00 O ATOM 681 CB MET A 69 23.995 0.310 -1.368 1.00 0.00 C ATOM 682 CG MET A 69 25.477 0.576 -1.638 1.00 0.00 C ATOM 683 SD MET A 69 25.828 2.336 -1.404 1.00 0.00 S ATOM 684 CE MET A 69 24.625 2.975 -2.594 1.00 0.00 C ATOM 0 H MET A 69 21.835 -1.030 -0.403 1.00 0.00 H new ATOM 0 HA MET A 69 24.176 -1.711 -2.093 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.390 0.710 -2.181 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.684 0.822 -0.457 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.093 -0.021 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 69 25.732 0.276 -2.654 1.00 0.00 H new ATOM 0 HE1 MET A 69 24.899 3.991 -2.878 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.617 2.340 -3.480 1.00 0.00 H new ATOM 0 HE3 MET A 69 23.633 2.979 -2.142 1.00 0.00 H new ATOM 694 N LEU A 70 25.633 -2.255 -0.131 1.00 0.00 N ATOM 695 CA LEU A 70 26.400 -2.774 0.995 1.00 0.00 C ATOM 696 C LEU A 70 27.896 -2.544 0.788 1.00 0.00 C ATOM 697 O LEU A 70 28.499 -3.100 -0.125 1.00 0.00 O ATOM 698 CB LEU A 70 26.132 -4.271 1.160 1.00 0.00 C ATOM 699 CG LEU A 70 25.512 -4.526 2.533 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.050 -5.980 2.621 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.552 -4.265 3.621 1.00 0.00 C ATOM 0 H LEU A 70 26.088 -2.364 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 70 26.087 -2.243 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.461 -4.620 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.061 -4.832 1.058 1.00 0.00 H new ATOM 0 HG LEU A 70 24.661 -3.860 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.608 -6.163 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.308 -6.174 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.904 -6.642 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.108 -4.447 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.403 -4.931 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.888 -3.230 3.562 1.00 0.00 H new ATOM 713 N ASN A 71 28.490 -1.730 1.651 1.00 0.00 N ATOM 714 CA ASN A 71 29.920 -1.444 1.560 1.00 0.00 C ATOM 715 C ASN A 71 30.276 -0.962 0.157 1.00 0.00 C ATOM 716 O ASN A 71 31.196 -1.483 -0.471 1.00 0.00 O ATOM 717 CB ASN A 71 30.722 -2.707 1.873 1.00 0.00 C ATOM 718 CG ASN A 71 30.237 -3.315 3.182 1.00 0.00 C ATOM 719 OD1 ASN A 71 30.218 -2.645 4.214 1.00 0.00 O ATOM 720 ND2 ASN A 71 29.827 -4.554 3.191 1.00 0.00 N ATOM 0 H ASN A 71 28.010 -1.258 2.417 1.00 0.00 H new ATOM 0 HA ASN A 71 30.164 -0.664 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.612 -3.429 1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.783 -2.467 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.488 -4.973 4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.845 -5.104 2.332 1.00 0.00 H new ATOM 727 N ASN A 72 29.540 0.033 -0.333 1.00 0.00 N ATOM 728 CA ASN A 72 29.788 0.574 -1.664 1.00 0.00 C ATOM 729 C ASN A 72 29.607 -0.507 -2.723 1.00 0.00 C ATOM 730 O ASN A 72 30.228 -0.457 -3.785 1.00 0.00 O ATOM 731 CB ASN A 72 31.205 1.141 -1.741 1.00 0.00 C ATOM 732 CG ASN A 72 31.304 2.148 -2.882 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.307 2.776 -3.244 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.454 2.355 -3.461 1.00 0.00 N ATOM 0 H ASN A 72 28.772 0.478 0.169 1.00 0.00 H new ATOM 0 HA ASN A 72 29.070 1.372 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.465 1.621 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.921 0.333 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.530 3.038 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.278 1.834 -3.160 1.00 0.00 H new ATOM 741 N LYS A 73 28.746 -1.475 -2.430 1.00 0.00 N ATOM 742 CA LYS A 73 28.486 -2.557 -3.372 1.00 0.00 C ATOM 743 C LYS A 73 26.993 -2.852 -3.445 1.00 0.00 C ATOM 744 O LYS A 73 26.390 -3.289 -2.470 1.00 0.00 O ATOM 745 CB LYS A 73 29.236 -3.822 -2.937 1.00 0.00 C ATOM 746 CG LYS A 73 29.189 -4.855 -4.065 1.00 0.00 C ATOM 747 CD LYS A 73 30.219 -4.506 -5.143 1.00 0.00 C ATOM 748 CE LYS A 73 31.624 -4.836 -4.633 1.00 0.00 C ATOM 749 NZ LYS A 73 32.603 -4.679 -5.742 1.00 0.00 N ATOM 0 H LYS A 73 28.221 -1.533 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 73 28.835 -2.248 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.271 -3.579 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.785 -4.233 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 73 29.391 -5.849 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.190 -4.883 -4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.011 -5.066 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 73 30.152 -3.448 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 73 31.886 -4.177 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 73 31.653 -5.856 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 33.558 -4.903 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 32.355 -5.326 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 32.581 -3.698 -6.088 1.00 0.00 H new ATOM 763 N VAL A 74 26.401 -2.616 -4.609 1.00 0.00 N ATOM 764 CA VAL A 74 24.974 -2.861 -4.785 1.00 0.00 C ATOM 765 C VAL A 74 24.734 -4.219 -5.431 1.00 0.00 C ATOM 766 O VAL A 74 25.489 -4.645 -6.304 1.00 0.00 O ATOM 767 CB VAL A 74 24.363 -1.764 -5.663 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.405 -0.429 -4.917 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.167 -1.643 -6.962 1.00 0.00 C ATOM 0 H VAL A 74 26.879 -2.260 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 74 24.501 -2.852 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 74 23.329 -2.020 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 74 23.970 0.351 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.836 -0.511 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 74 25.439 -0.174 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 74 24.733 -0.863 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 74 26.200 -1.387 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.140 -2.593 -7.496 1.00 0.00 H new ATOM 779 N GLY A 75 23.679 -4.901 -4.992 1.00 0.00 N ATOM 780 CA GLY A 75 23.354 -6.212 -5.533 1.00 0.00 C ATOM 781 C GLY A 75 21.992 -6.682 -5.027 1.00 0.00 C ATOM 782 O GLY A 75 21.301 -5.958 -4.299 1.00 0.00 O ATOM 0 H GLY A 75 23.041 -4.569 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.348 -6.170 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.122 -6.930 -5.246 1.00 0.00 H new ATOM 786 N ASN A 76 21.613 -7.895 -5.421 1.00 0.00 N ATOM 787 CA ASN A 76 20.335 -8.460 -5.013 1.00 0.00 C ATOM 788 C ASN A 76 20.532 -9.493 -3.904 1.00 0.00 C ATOM 789 O ASN A 76 21.617 -10.050 -3.740 1.00 0.00 O ATOM 790 CB ASN A 76 19.643 -9.117 -6.209 1.00 0.00 C ATOM 791 CG ASN A 76 19.237 -8.055 -7.222 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.159 -6.874 -6.885 1.00 0.00 O ATOM 793 ND2 ASN A 76 18.965 -8.405 -8.449 1.00 0.00 N ATOM 0 H ASN A 76 22.172 -8.502 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 76 19.710 -7.652 -4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.313 -9.840 -6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.764 -9.667 -5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.687 -7.699 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 76 19.030 -9.384 -8.726 1.00 0.00 H new ATOM 800 N PHE A 77 19.471 -9.738 -3.149 1.00 0.00 N ATOM 801 CA PHE A 77 19.515 -10.701 -2.055 1.00 0.00 C ATOM 802 C PHE A 77 18.132 -11.267 -1.764 1.00 0.00 C ATOM 803 O PHE A 77 17.114 -10.696 -2.166 1.00 0.00 O ATOM 804 CB PHE A 77 20.091 -10.039 -0.801 1.00 0.00 C ATOM 805 CG PHE A 77 19.672 -8.592 -0.768 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.434 -8.230 -0.237 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.533 -7.613 -1.272 1.00 0.00 C ATOM 808 CE1 PHE A 77 18.051 -6.884 -0.210 1.00 0.00 C ATOM 809 CE2 PHE A 77 20.151 -6.265 -1.248 1.00 0.00 C ATOM 810 CZ PHE A 77 18.912 -5.900 -0.713 1.00 0.00 C ATOM 0 H PHE A 77 18.567 -9.283 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 77 20.160 -11.528 -2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 77 19.736 -10.553 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.178 -10.115 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.771 -8.988 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.492 -7.895 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.091 -6.604 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.813 -5.509 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.619 -4.861 -0.688 1.00 0.00 H new ATOM 820 N LYS A 78 18.101 -12.402 -1.072 1.00 0.00 N ATOM 821 CA LYS A 78 16.840 -13.047 -0.740 1.00 0.00 C ATOM 822 C LYS A 78 15.985 -12.146 0.146 1.00 0.00 C ATOM 823 O LYS A 78 16.360 -11.806 1.275 1.00 0.00 O ATOM 824 CB LYS A 78 17.098 -14.370 -0.020 1.00 0.00 C ATOM 825 CG LYS A 78 16.381 -15.509 -0.748 1.00 0.00 C ATOM 826 CD LYS A 78 17.151 -15.866 -2.022 1.00 0.00 C ATOM 827 CE LYS A 78 16.525 -17.103 -2.670 1.00 0.00 C ATOM 828 NZ LYS A 78 17.326 -17.498 -3.863 1.00 0.00 N ATOM 0 H LYS A 78 18.930 -12.890 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 78 16.304 -13.237 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.169 -14.569 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.747 -14.308 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.308 -16.381 -0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.363 -15.211 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.130 -15.028 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.198 -16.057 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.491 -17.924 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.496 -16.892 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.115 -18.486 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.083 -16.881 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.339 -17.404 -3.648 1.00 0.00 H new ATOM 842 N PHE A 79 14.827 -11.768 -0.371 1.00 0.00 N ATOM 843 CA PHE A 79 13.911 -10.915 0.374 1.00 0.00 C ATOM 844 C PHE A 79 13.450 -11.616 1.646 1.00 0.00 C ATOM 845 O PHE A 79 13.038 -10.969 2.602 1.00 0.00 O ATOM 846 CB PHE A 79 12.697 -10.554 -0.484 1.00 0.00 C ATOM 847 CG PHE A 79 12.039 -11.819 -0.979 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.087 -12.472 -0.189 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.387 -12.341 -2.230 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.480 -13.645 -0.654 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.784 -13.510 -2.696 1.00 0.00 C ATOM 852 CZ PHE A 79 10.831 -14.167 -1.908 1.00 0.00 C ATOM 0 H PHE A 79 14.499 -12.036 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 79 14.439 -10.000 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.988 -9.966 0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.005 -9.937 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.821 -12.072 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.125 -11.837 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.742 -14.148 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.052 -13.908 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.367 -15.074 -2.265 1.00 0.00 H new ATOM 862 N ILE A 80 13.517 -12.944 1.655 1.00 0.00 N ATOM 863 CA ILE A 80 13.107 -13.709 2.830 1.00 0.00 C ATOM 864 C ILE A 80 14.138 -13.576 3.952 1.00 0.00 C ATOM 865 O ILE A 80 13.784 -13.489 5.129 1.00 0.00 O ATOM 866 CB ILE A 80 12.937 -15.178 2.446 1.00 0.00 C ATOM 867 CG1 ILE A 80 12.437 -15.962 3.660 1.00 0.00 C ATOM 868 CG2 ILE A 80 14.278 -15.752 1.983 1.00 0.00 C ATOM 869 CD1 ILE A 80 12.059 -17.376 3.227 1.00 0.00 C ATOM 0 H ILE A 80 13.847 -13.508 0.872 1.00 0.00 H new ATOM 0 HA ILE A 80 12.158 -13.314 3.192 1.00 0.00 H new ATOM 0 HB ILE A 80 12.215 -15.259 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 80 13.210 -15.999 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.575 -15.462 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 80 14.151 -16.800 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 80 14.634 -15.193 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 80 15.006 -15.673 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.702 -17.938 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.272 -17.328 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.933 -17.874 2.806 1.00 0.00 H new ATOM 881 N TYR A 81 15.411 -13.559 3.578 1.00 0.00 N ATOM 882 CA TYR A 81 16.488 -13.435 4.554 1.00 0.00 C ATOM 883 C TYR A 81 16.672 -11.979 4.975 1.00 0.00 C ATOM 884 O TYR A 81 17.328 -11.694 5.988 1.00 0.00 O ATOM 885 CB TYR A 81 17.796 -13.970 3.955 1.00 0.00 C ATOM 886 CG TYR A 81 17.637 -15.435 3.601 1.00 0.00 C ATOM 887 CD1 TYR A 81 18.224 -15.940 2.435 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.902 -16.289 4.431 1.00 0.00 C ATOM 889 CE1 TYR A 81 18.077 -17.291 2.103 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.756 -17.638 4.100 1.00 0.00 C ATOM 891 CZ TYR A 81 17.342 -18.140 2.937 1.00 0.00 C ATOM 892 OH TYR A 81 17.197 -19.471 2.612 1.00 0.00 O ATOM 0 H TYR A 81 15.723 -13.629 2.609 1.00 0.00 H new ATOM 0 HA TYR A 81 16.224 -14.020 5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.060 -13.398 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.611 -13.845 4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.792 -15.285 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.446 -15.903 5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.531 -17.678 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.189 -18.293 4.745 1.00 0.00 H new ATOM 0 HH TYR A 81 16.659 -19.919 3.298 1.00 0.00 H new ATOM 902 N VAL A 82 16.084 -11.068 4.200 1.00 0.00 N ATOM 903 CA VAL A 82 16.181 -9.647 4.495 1.00 0.00 C ATOM 904 C VAL A 82 14.823 -9.092 4.918 1.00 0.00 C ATOM 905 O VAL A 82 13.794 -9.406 4.328 1.00 0.00 O ATOM 906 CB VAL A 82 16.695 -8.892 3.269 1.00 0.00 C ATOM 907 CG1 VAL A 82 16.780 -7.399 3.596 1.00 0.00 C ATOM 908 CG2 VAL A 82 18.086 -9.426 2.880 1.00 0.00 C ATOM 0 H VAL A 82 15.539 -11.292 3.368 1.00 0.00 H new ATOM 0 HA VAL A 82 16.882 -9.512 5.318 1.00 0.00 H new ATOM 0 HB VAL A 82 16.012 -9.040 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 82 17.146 -6.856 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.791 -7.029 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 82 17.464 -7.248 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.451 -8.887 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 82 18.777 -9.281 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.016 -10.489 2.648 1.00 0.00 H new ATOM 918 N ASP A 83 14.832 -8.263 5.950 1.00 0.00 N ATOM 919 CA ASP A 83 13.597 -7.669 6.448 1.00 0.00 C ATOM 920 C ASP A 83 13.668 -6.148 6.390 1.00 0.00 C ATOM 921 O ASP A 83 14.739 -5.554 6.517 1.00 0.00 O ATOM 922 CB ASP A 83 13.339 -8.120 7.884 1.00 0.00 C ATOM 923 CG ASP A 83 11.899 -7.813 8.282 1.00 0.00 C ATOM 924 OD1 ASP A 83 11.099 -7.558 7.396 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.617 -7.841 9.469 1.00 0.00 O ATOM 0 H ASP A 83 15.673 -7.987 6.457 1.00 0.00 H new ATOM 0 HA ASP A 83 12.777 -8.004 5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.530 -9.189 7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.027 -7.614 8.561 1.00 0.00 H new ATOM 930 N VAL A 84 12.515 -5.526 6.198 1.00 0.00 N ATOM 931 CA VAL A 84 12.446 -4.067 6.124 1.00 0.00 C ATOM 932 C VAL A 84 12.272 -3.470 7.518 1.00 0.00 C ATOM 933 O VAL A 84 11.436 -3.924 8.299 1.00 0.00 O ATOM 934 CB VAL A 84 11.281 -3.632 5.223 1.00 0.00 C ATOM 935 CG1 VAL A 84 10.010 -4.402 5.597 1.00 0.00 C ATOM 936 CG2 VAL A 84 11.036 -2.131 5.399 1.00 0.00 C ATOM 0 H VAL A 84 11.618 -6.000 6.091 1.00 0.00 H new ATOM 0 HA VAL A 84 13.380 -3.701 5.697 1.00 0.00 H new ATOM 0 HB VAL A 84 11.534 -3.846 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.190 -4.086 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.181 -5.471 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.753 -4.198 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.209 -1.820 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.789 -1.922 6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.935 -1.581 5.122 1.00 0.00 H new ATOM 946 N ILE A 85 13.072 -2.457 7.828 1.00 0.00 N ATOM 947 CA ILE A 85 12.996 -1.818 9.134 1.00 0.00 C ATOM 948 C ILE A 85 12.299 -0.463 9.031 1.00 0.00 C ATOM 949 O ILE A 85 12.431 0.241 8.029 1.00 0.00 O ATOM 950 CB ILE A 85 14.407 -1.626 9.700 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.393 -1.899 11.205 1.00 0.00 C ATOM 952 CG2 ILE A 85 14.882 -0.190 9.453 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.802 -1.714 11.773 1.00 0.00 C ATOM 0 H ILE A 85 13.773 -2.064 7.200 1.00 0.00 H new ATOM 0 HA ILE A 85 12.418 -2.459 9.799 1.00 0.00 H new ATOM 0 HB ILE A 85 15.086 -2.319 9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.698 -1.222 11.701 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.042 -2.913 11.398 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.886 -0.064 9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.896 0.009 8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 85 14.202 0.507 9.943 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.790 -1.909 12.845 1.00 0.00 H new ATOM 0 HD12 ILE A 85 16.485 -2.409 11.285 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.135 -0.692 11.594 1.00 0.00 H new ATOM 965 N SER A 86 11.560 -0.103 10.074 1.00 0.00 N ATOM 966 CA SER A 86 10.853 1.173 10.092 1.00 0.00 C ATOM 967 C SER A 86 11.806 2.306 10.461 1.00 0.00 C ATOM 968 O SER A 86 12.753 2.109 11.222 1.00 0.00 O ATOM 969 CB SER A 86 9.707 1.121 11.099 1.00 0.00 C ATOM 970 OG SER A 86 8.752 0.157 10.673 1.00 0.00 O ATOM 0 H SER A 86 11.435 -0.671 10.912 1.00 0.00 H new ATOM 0 HA SER A 86 10.451 1.359 9.096 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.087 0.862 12.087 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.238 2.101 11.185 1.00 0.00 H new ATOM 0 HG SER A 86 8.015 0.119 11.318 1.00 0.00 H new ATOM 976 N GLU A 87 11.549 3.493 9.919 1.00 0.00 N ATOM 977 CA GLU A 87 12.391 4.648 10.204 1.00 0.00 C ATOM 978 C GLU A 87 11.553 5.922 10.251 1.00 0.00 C ATOM 979 O GLU A 87 11.014 6.290 9.219 1.00 0.00 O ATOM 980 CB GLU A 87 13.472 4.788 9.129 1.00 0.00 C ATOM 981 CG GLU A 87 14.772 5.274 9.773 1.00 0.00 C ATOM 982 CD GLU A 87 15.843 5.462 8.705 1.00 0.00 C ATOM 983 OE1 GLU A 87 15.644 4.981 7.602 1.00 0.00 O ATOM 984 OE2 GLU A 87 16.850 6.083 9.008 1.00 0.00 O ATOM 0 H GLU A 87 10.771 3.679 9.286 1.00 0.00 H new ATOM 0 HA GLU A 87 12.863 4.498 11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.634 3.830 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.148 5.492 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.599 6.214 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.111 4.553 10.517 1.00 0.00 H new