USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 Single : A 6 TYR OH : rot 13:sc= 0.0574 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 14 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 15 SER OG : rot -111:sc= 0.386 USER MOD Single : A 19 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.37) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -0.339 (180deg=-0.877) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.343) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -151:sc= -0.499 (180deg=-3.21!) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.263) USER MOD Single : A 78 GLN : amide:sc= -0.907 X(o=-0.91,f=-0.55) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.596 11.627 5.361 1.00 0.00 N ATOM 19 CA ARG A 2 -4.596 10.776 6.071 1.00 0.00 C ATOM 20 C ARG A 2 -4.101 9.328 6.097 1.00 0.00 C ATOM 21 O ARG A 2 -3.158 8.973 5.413 1.00 0.00 O ATOM 22 CB ARG A 2 -5.941 10.854 5.337 1.00 0.00 C ATOM 23 CG ARG A 2 -6.910 11.743 6.120 1.00 0.00 C ATOM 24 CD ARG A 2 -8.031 12.217 5.194 1.00 0.00 C ATOM 25 NE ARG A 2 -8.815 13.295 5.870 1.00 0.00 N ATOM 26 CZ ARG A 2 -9.674 14.040 5.202 1.00 0.00 C ATOM 27 NH1 ARG A 2 -9.882 13.866 3.917 1.00 0.00 N ATOM 28 NH2 ARG A 2 -10.336 14.971 5.833 1.00 0.00 N ATOM 0 HA ARG A 2 -4.723 11.131 7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.795 11.255 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.362 9.855 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.328 11.190 6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.379 12.600 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.612 12.589 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.684 11.382 4.940 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.683 13.458 6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.373 13.141 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.552 14.456 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.186 15.116 6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.003 15.554 5.328 1.00 0.00 H new ATOM 42 N LEU A 3 -4.734 8.492 6.882 1.00 0.00 N ATOM 43 CA LEU A 3 -4.306 7.064 6.963 1.00 0.00 C ATOM 44 C LEU A 3 -5.314 6.184 6.220 1.00 0.00 C ATOM 45 O LEU A 3 -6.273 5.704 6.794 1.00 0.00 O ATOM 46 CB LEU A 3 -4.239 6.634 8.430 1.00 0.00 C ATOM 47 CG LEU A 3 -3.361 7.617 9.215 1.00 0.00 C ATOM 48 CD1 LEU A 3 -4.247 8.633 9.939 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.529 6.848 10.245 1.00 0.00 C ATOM 0 H LEU A 3 -5.530 8.739 7.471 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.323 6.954 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.241 6.605 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.831 5.626 8.506 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.699 8.139 8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.621 9.330 10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.842 9.183 9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.911 8.111 10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.905 7.546 10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.194 6.326 10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.895 6.124 9.733 1.00 0.00 H new ATOM 61 N PHE A 4 -5.098 5.971 4.947 1.00 0.00 N ATOM 62 CA PHE A 4 -6.034 5.123 4.152 1.00 0.00 C ATOM 63 C PHE A 4 -5.558 3.669 4.185 1.00 0.00 C ATOM 64 O PHE A 4 -4.372 3.398 4.204 1.00 0.00 O ATOM 65 CB PHE A 4 -6.063 5.616 2.706 1.00 0.00 C ATOM 66 CG PHE A 4 -7.131 6.671 2.556 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.474 6.294 2.445 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.780 8.026 2.530 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.466 7.272 2.309 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.771 9.004 2.393 1.00 0.00 C ATOM 71 CZ PHE A 4 -9.115 8.627 2.282 1.00 0.00 C ATOM 0 H PHE A 4 -4.310 6.350 4.423 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.035 5.188 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.091 6.025 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.261 4.784 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.745 5.249 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.743 8.317 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.503 6.981 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.500 10.049 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.881 9.381 2.176 1.00 0.00 H new ATOM 81 N GLY A 5 -6.475 2.734 4.193 1.00 0.00 N ATOM 82 CA GLY A 5 -6.080 1.295 4.225 1.00 0.00 C ATOM 83 C GLY A 5 -6.951 0.494 3.256 1.00 0.00 C ATOM 84 O GLY A 5 -8.166 0.521 3.326 1.00 0.00 O ATOM 0 H GLY A 5 -7.480 2.907 4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.029 1.191 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.189 0.901 5.236 1.00 0.00 H new ATOM 88 N TYR A 6 -6.332 -0.226 2.356 1.00 0.00 N ATOM 89 CA TYR A 6 -7.102 -1.043 1.373 1.00 0.00 C ATOM 90 C TYR A 6 -7.308 -2.449 1.955 1.00 0.00 C ATOM 91 O TYR A 6 -6.452 -2.973 2.645 1.00 0.00 O ATOM 92 CB TYR A 6 -6.307 -1.114 0.059 1.00 0.00 C ATOM 93 CG TYR A 6 -7.009 -2.001 -0.944 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.232 -1.606 -1.497 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.433 -3.220 -1.318 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.877 -2.432 -2.426 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.078 -4.046 -2.246 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.300 -3.652 -2.801 1.00 0.00 C ATOM 99 OH TYR A 6 -8.937 -4.465 -3.715 1.00 0.00 O ATOM 0 H TYR A 6 -5.318 -0.283 2.260 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.075 -0.594 1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.188 -0.112 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.306 -1.499 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.678 -0.666 -1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.489 -3.524 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.821 -2.128 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.632 -4.987 -2.533 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.657 -3.964 -4.153 1.00 0.00 H new ATOM 109 N ALA A 7 -8.437 -3.058 1.685 1.00 0.00 N ATOM 110 CA ALA A 7 -8.703 -4.425 2.226 1.00 0.00 C ATOM 111 C ALA A 7 -9.519 -5.239 1.217 1.00 0.00 C ATOM 112 O ALA A 7 -10.084 -4.704 0.283 1.00 0.00 O ATOM 113 CB ALA A 7 -9.488 -4.309 3.536 1.00 0.00 C ATOM 0 H ALA A 7 -9.185 -2.666 1.113 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.753 -4.928 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.683 -5.305 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.906 -3.738 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.434 -3.801 3.349 1.00 0.00 H new ATOM 119 N ARG A 8 -9.592 -6.530 1.416 1.00 0.00 N ATOM 120 CA ARG A 8 -10.375 -7.402 0.494 1.00 0.00 C ATOM 121 C ARG A 8 -10.632 -8.744 1.183 1.00 0.00 C ATOM 122 O ARG A 8 -9.713 -9.479 1.491 1.00 0.00 O ATOM 123 CB ARG A 8 -9.590 -7.630 -0.803 1.00 0.00 C ATOM 124 CG ARG A 8 -10.433 -8.464 -1.782 1.00 0.00 C ATOM 125 CD ARG A 8 -10.401 -7.826 -3.173 1.00 0.00 C ATOM 126 NE ARG A 8 -9.214 -8.335 -3.927 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.072 -8.112 -5.219 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.965 -7.431 -5.901 1.00 0.00 N ATOM 129 NH2 ARG A 8 -8.022 -8.577 -5.835 1.00 0.00 N ATOM 0 H ARG A 8 -9.137 -7.021 2.186 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.323 -6.921 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.331 -6.673 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.653 -8.144 -0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.048 -9.482 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.461 -8.529 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.317 -8.061 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.352 -6.741 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.498 -8.866 -3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.792 -7.061 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.832 -7.272 -6.900 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.321 -9.107 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.902 -8.411 -6.834 1.00 0.00 H new ATOM 143 N VAL A 9 -11.876 -9.056 1.437 1.00 0.00 N ATOM 144 CA VAL A 9 -12.206 -10.341 2.119 1.00 0.00 C ATOM 145 C VAL A 9 -11.767 -11.523 1.259 1.00 0.00 C ATOM 146 O VAL A 9 -11.829 -11.481 0.045 1.00 0.00 O ATOM 147 CB VAL A 9 -13.714 -10.425 2.355 1.00 0.00 C ATOM 148 CG1 VAL A 9 -14.132 -9.369 3.379 1.00 0.00 C ATOM 149 CG2 VAL A 9 -14.452 -10.180 1.043 1.00 0.00 C ATOM 0 H VAL A 9 -12.680 -8.474 1.200 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.680 -10.376 3.073 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.965 -11.416 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.207 -9.430 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.608 -9.546 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.879 -8.378 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.527 -10.240 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.200 -9.190 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.157 -10.934 0.313 1.00 0.00 H new ATOM 159 N SER A 10 -11.332 -12.581 1.889 1.00 0.00 N ATOM 160 CA SER A 10 -10.894 -13.787 1.132 1.00 0.00 C ATOM 161 C SER A 10 -11.739 -14.989 1.563 1.00 0.00 C ATOM 162 O SER A 10 -12.120 -15.811 0.751 1.00 0.00 O ATOM 163 CB SER A 10 -9.419 -14.065 1.427 1.00 0.00 C ATOM 164 OG SER A 10 -9.059 -15.325 0.876 1.00 0.00 O ATOM 0 H SER A 10 -11.261 -12.661 2.903 1.00 0.00 H new ATOM 0 HA SER A 10 -11.023 -13.616 0.063 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.797 -13.278 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.245 -14.063 2.503 1.00 0.00 H new ATOM 0 HG SER A 10 -8.114 -15.505 1.062 1.00 0.00 H new ATOM 170 N THR A 11 -12.035 -15.095 2.837 1.00 0.00 N ATOM 171 CA THR A 11 -12.859 -16.240 3.324 1.00 0.00 C ATOM 172 C THR A 11 -14.329 -15.817 3.394 1.00 0.00 C ATOM 173 O THR A 11 -14.646 -14.696 3.744 1.00 0.00 O ATOM 174 CB THR A 11 -12.374 -16.676 4.713 1.00 0.00 C ATOM 175 OG1 THR A 11 -13.219 -17.706 5.205 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.407 -15.486 5.673 1.00 0.00 C ATOM 0 H THR A 11 -11.740 -14.437 3.558 1.00 0.00 H new ATOM 0 HA THR A 11 -12.758 -17.078 2.635 1.00 0.00 H new ATOM 0 HB THR A 11 -11.351 -17.046 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.910 -17.987 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.061 -15.803 6.657 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.756 -14.697 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.427 -15.109 5.750 1.00 0.00 H new ATOM 184 N SER A 12 -15.229 -16.709 3.056 1.00 0.00 N ATOM 185 CA SER A 12 -16.685 -16.374 3.090 1.00 0.00 C ATOM 186 C SER A 12 -17.093 -15.961 4.507 1.00 0.00 C ATOM 187 O SER A 12 -17.839 -15.018 4.694 1.00 0.00 O ATOM 188 CB SER A 12 -17.499 -17.596 2.663 1.00 0.00 C ATOM 189 OG SER A 12 -17.564 -17.644 1.243 1.00 0.00 O ATOM 0 H SER A 12 -15.015 -17.660 2.756 1.00 0.00 H new ATOM 0 HA SER A 12 -16.878 -15.547 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.040 -18.506 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.503 -17.543 3.083 1.00 0.00 H new ATOM 0 HG SER A 12 -18.084 -18.427 0.966 1.00 0.00 H new ATOM 195 N GLN A 13 -16.608 -16.658 5.504 1.00 0.00 N ATOM 196 CA GLN A 13 -16.961 -16.311 6.912 1.00 0.00 C ATOM 197 C GLN A 13 -16.450 -14.898 7.226 1.00 0.00 C ATOM 198 O GLN A 13 -16.202 -14.112 6.332 1.00 0.00 O ATOM 199 CB GLN A 13 -16.315 -17.324 7.862 1.00 0.00 C ATOM 200 CG GLN A 13 -17.263 -17.611 9.028 1.00 0.00 C ATOM 201 CD GLN A 13 -18.243 -18.718 8.631 1.00 0.00 C ATOM 202 OE1 GLN A 13 -17.844 -19.838 8.387 1.00 0.00 O ATOM 203 NE2 GLN A 13 -19.518 -18.449 8.559 1.00 0.00 N ATOM 0 H GLN A 13 -15.980 -17.455 5.401 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.043 -16.340 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.090 -18.247 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.369 -16.934 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.694 -17.913 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.809 -16.707 9.297 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.853 -17.508 8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.180 -19.180 8.298 1.00 0.00 H new ATOM 212 N GLN A 14 -16.290 -14.569 8.488 1.00 0.00 N ATOM 213 CA GLN A 14 -15.793 -13.205 8.858 1.00 0.00 C ATOM 214 C GLN A 14 -14.447 -12.945 8.182 1.00 0.00 C ATOM 215 O GLN A 14 -13.442 -13.514 8.550 1.00 0.00 O ATOM 216 CB GLN A 14 -15.623 -13.120 10.377 1.00 0.00 C ATOM 217 CG GLN A 14 -15.269 -11.684 10.772 1.00 0.00 C ATOM 218 CD GLN A 14 -16.545 -10.928 11.151 1.00 0.00 C ATOM 219 OE1 GLN A 14 -17.215 -10.379 10.299 1.00 0.00 O ATOM 220 NE2 GLN A 14 -16.909 -10.876 12.402 1.00 0.00 N ATOM 0 H GLN A 14 -16.482 -15.187 9.277 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.514 -12.457 8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.542 -13.429 10.874 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.839 -13.802 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.573 -11.688 11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.768 -11.181 9.945 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.346 -11.337 13.117 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.757 -10.374 12.666 1.00 0.00 H new ATOM 229 N SER A 15 -14.430 -12.095 7.187 1.00 0.00 N ATOM 230 CA SER A 15 -13.156 -11.788 6.473 1.00 0.00 C ATOM 231 C SER A 15 -12.884 -10.285 6.535 1.00 0.00 C ATOM 232 O SER A 15 -11.792 -9.852 6.848 1.00 0.00 O ATOM 233 CB SER A 15 -13.270 -12.222 5.009 1.00 0.00 C ATOM 234 OG SER A 15 -14.645 -12.296 4.640 1.00 0.00 O ATOM 0 H SER A 15 -15.249 -11.598 6.837 1.00 0.00 H new ATOM 0 HA SER A 15 -12.337 -12.327 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.748 -11.513 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.792 -13.191 4.868 1.00 0.00 H new ATOM 0 HG SER A 15 -14.894 -13.232 4.490 1.00 0.00 H new ATOM 240 N LEU A 16 -13.876 -9.490 6.228 1.00 0.00 N ATOM 241 CA LEU A 16 -13.707 -8.007 6.246 1.00 0.00 C ATOM 242 C LEU A 16 -13.266 -7.554 7.650 1.00 0.00 C ATOM 243 O LEU A 16 -12.457 -6.657 7.790 1.00 0.00 O ATOM 244 CB LEU A 16 -15.050 -7.358 5.835 1.00 0.00 C ATOM 245 CG LEU A 16 -15.123 -5.884 6.261 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.891 -5.081 5.210 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.850 -5.782 7.605 1.00 0.00 C ATOM 0 H LEU A 16 -14.807 -9.810 5.962 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.935 -7.696 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.174 -7.431 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.874 -7.909 6.288 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.113 -5.484 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.941 -4.036 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.379 -5.155 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.901 -5.480 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.904 -4.737 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.858 -6.183 7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.306 -6.353 8.357 1.00 0.00 H new ATOM 259 N ASP A 17 -13.795 -8.164 8.679 1.00 0.00 N ATOM 260 CA ASP A 17 -13.410 -7.765 10.066 1.00 0.00 C ATOM 261 C ASP A 17 -11.912 -8.004 10.272 1.00 0.00 C ATOM 262 O ASP A 17 -11.198 -7.145 10.753 1.00 0.00 O ATOM 263 CB ASP A 17 -14.209 -8.599 11.070 1.00 0.00 C ATOM 264 CG ASP A 17 -14.537 -7.746 12.296 1.00 0.00 C ATOM 265 OD1 ASP A 17 -15.076 -6.666 12.115 1.00 0.00 O ATOM 266 OD2 ASP A 17 -14.244 -8.185 13.396 1.00 0.00 O ATOM 0 H ASP A 17 -14.476 -8.921 8.619 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.627 -6.707 10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.128 -8.960 10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.635 -9.477 11.368 1.00 0.00 H new ATOM 271 N ILE A 18 -11.435 -9.166 9.908 1.00 0.00 N ATOM 272 CA ILE A 18 -9.985 -9.480 10.072 1.00 0.00 C ATOM 273 C ILE A 18 -9.148 -8.490 9.251 1.00 0.00 C ATOM 274 O ILE A 18 -8.087 -8.068 9.672 1.00 0.00 O ATOM 275 CB ILE A 18 -9.729 -10.917 9.590 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.506 -11.893 10.480 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.232 -11.249 9.664 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.019 -13.056 9.633 1.00 0.00 C ATOM 0 H ILE A 18 -11.993 -9.917 9.501 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.701 -9.393 11.121 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.060 -11.007 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.863 -12.266 11.277 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.341 -11.381 10.957 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.068 -12.270 9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.674 -10.558 9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.889 -11.155 10.694 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.572 -13.751 10.265 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.676 -12.675 8.852 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.175 -13.574 9.177 1.00 0.00 H new ATOM 290 N GLN A 19 -9.614 -8.127 8.082 1.00 0.00 N ATOM 291 CA GLN A 19 -8.843 -7.176 7.234 1.00 0.00 C ATOM 292 C GLN A 19 -8.772 -5.813 7.926 1.00 0.00 C ATOM 293 O GLN A 19 -7.699 -5.299 8.169 1.00 0.00 O ATOM 294 CB GLN A 19 -9.522 -7.029 5.873 1.00 0.00 C ATOM 295 CG GLN A 19 -9.056 -8.161 4.955 1.00 0.00 C ATOM 296 CD GLN A 19 -7.577 -7.966 4.617 1.00 0.00 C ATOM 297 OE1 GLN A 19 -6.783 -8.872 4.768 1.00 0.00 O ATOM 298 NE2 GLN A 19 -7.171 -6.812 4.163 1.00 0.00 N ATOM 0 H GLN A 19 -10.495 -8.450 7.681 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.833 -7.560 7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.605 -7.060 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.276 -6.063 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.205 -9.124 5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.651 -8.171 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.838 -6.051 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.187 -6.671 3.935 1.00 0.00 H new ATOM 307 N VAL A 20 -9.905 -5.225 8.255 1.00 0.00 N ATOM 308 CA VAL A 20 -9.903 -3.887 8.941 1.00 0.00 C ATOM 309 C VAL A 20 -8.969 -3.934 10.156 1.00 0.00 C ATOM 310 O VAL A 20 -8.097 -3.103 10.308 1.00 0.00 O ATOM 311 CB VAL A 20 -11.327 -3.534 9.396 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.339 -2.155 10.074 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.257 -3.507 8.179 1.00 0.00 C ATOM 0 H VAL A 20 -10.831 -5.615 8.077 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.551 -3.126 8.244 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.669 -4.285 10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.353 -1.915 10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.680 -2.171 10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.992 -1.400 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.268 -3.257 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.906 -2.758 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.260 -4.487 7.701 1.00 0.00 H new ATOM 323 N ARG A 21 -9.136 -4.915 11.009 1.00 0.00 N ATOM 324 CA ARG A 21 -8.246 -5.035 12.207 1.00 0.00 C ATOM 325 C ARG A 21 -6.785 -5.084 11.746 1.00 0.00 C ATOM 326 O ARG A 21 -5.889 -4.669 12.451 1.00 0.00 O ATOM 327 CB ARG A 21 -8.578 -6.323 12.972 1.00 0.00 C ATOM 328 CG ARG A 21 -10.093 -6.425 13.215 1.00 0.00 C ATOM 329 CD ARG A 21 -10.389 -6.319 14.715 1.00 0.00 C ATOM 330 NE ARG A 21 -10.168 -4.912 15.170 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.448 -4.536 16.402 1.00 0.00 C ATOM 332 NH1 ARG A 21 -10.938 -5.377 17.284 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.235 -3.297 16.754 1.00 0.00 N ATOM 0 H ARG A 21 -9.850 -5.638 10.928 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.400 -4.176 12.861 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.235 -7.189 12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.049 -6.335 13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.611 -5.631 12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.469 -7.372 12.827 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.417 -6.620 14.915 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.744 -6.998 15.272 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.792 -4.228 14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.111 -6.348 17.022 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.146 -5.060 18.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.856 -2.633 16.079 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.447 -2.993 17.704 1.00 0.00 H new ATOM 347 N ALA A 22 -6.551 -5.579 10.554 1.00 0.00 N ATOM 348 CA ALA A 22 -5.161 -5.649 10.024 1.00 0.00 C ATOM 349 C ALA A 22 -4.730 -4.257 9.561 1.00 0.00 C ATOM 350 O ALA A 22 -3.605 -3.845 9.777 1.00 0.00 O ATOM 351 CB ALA A 22 -5.118 -6.619 8.841 1.00 0.00 C ATOM 0 H ALA A 22 -7.270 -5.938 9.926 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.485 -6.000 10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.102 -6.672 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.432 -7.609 9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.789 -6.267 8.058 1.00 0.00 H new ATOM 357 N LEU A 23 -5.621 -3.525 8.933 1.00 0.00 N ATOM 358 CA LEU A 23 -5.263 -2.151 8.463 1.00 0.00 C ATOM 359 C LEU A 23 -5.182 -1.225 9.677 1.00 0.00 C ATOM 360 O LEU A 23 -4.341 -0.349 9.746 1.00 0.00 O ATOM 361 CB LEU A 23 -6.322 -1.601 7.483 1.00 0.00 C ATOM 362 CG LEU A 23 -6.908 -2.706 6.580 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.752 -2.061 5.480 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.788 -3.529 5.930 1.00 0.00 C ATOM 0 H LEU A 23 -6.576 -3.819 8.727 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.306 -2.198 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.127 -1.130 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.872 -0.826 6.862 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.521 -3.367 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.169 -2.838 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.563 -1.489 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.127 -1.396 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.225 -4.302 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.161 -2.875 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.181 -3.995 6.706 1.00 0.00 H new ATOM 376 N LYS A 24 -6.052 -1.419 10.636 1.00 0.00 N ATOM 377 CA LYS A 24 -6.037 -0.559 11.856 1.00 0.00 C ATOM 378 C LYS A 24 -4.763 -0.850 12.643 1.00 0.00 C ATOM 379 O LYS A 24 -4.086 0.051 13.101 1.00 0.00 O ATOM 380 CB LYS A 24 -7.266 -0.857 12.728 1.00 0.00 C ATOM 381 CG LYS A 24 -8.541 -0.897 11.864 1.00 0.00 C ATOM 382 CD LYS A 24 -9.503 0.232 12.274 1.00 0.00 C ATOM 383 CE LYS A 24 -10.899 -0.337 12.561 1.00 0.00 C ATOM 384 NZ LYS A 24 -11.288 -0.010 13.963 1.00 0.00 N ATOM 0 H LYS A 24 -6.774 -2.139 10.625 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.064 0.491 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.135 -1.811 13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.366 -0.094 13.500 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.278 -0.795 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.034 -1.862 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.121 0.741 13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.562 0.976 11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.625 0.081 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.901 -1.417 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.323 0.069 14.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.959 -0.764 14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.854 0.893 14.242 1.00 0.00 H new ATOM 398 N ASP A 25 -4.417 -2.108 12.785 1.00 0.00 N ATOM 399 CA ASP A 25 -3.169 -2.472 13.516 1.00 0.00 C ATOM 400 C ASP A 25 -1.985 -1.808 12.818 1.00 0.00 C ATOM 401 O ASP A 25 -1.035 -1.372 13.440 1.00 0.00 O ATOM 402 CB ASP A 25 -2.988 -3.987 13.467 1.00 0.00 C ATOM 403 CG ASP A 25 -2.126 -4.442 14.646 1.00 0.00 C ATOM 404 OD1 ASP A 25 -2.570 -4.288 15.773 1.00 0.00 O ATOM 405 OD2 ASP A 25 -1.038 -4.935 14.403 1.00 0.00 O ATOM 0 H ASP A 25 -4.950 -2.899 12.423 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.230 -2.140 14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.959 -4.480 13.503 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.518 -4.276 12.527 1.00 0.00 H new ATOM 410 N ALA A 26 -2.061 -1.728 11.521 1.00 0.00 N ATOM 411 CA ALA A 26 -0.981 -1.094 10.727 1.00 0.00 C ATOM 412 C ALA A 26 -0.949 0.405 11.027 1.00 0.00 C ATOM 413 O ALA A 26 0.092 1.034 10.989 1.00 0.00 O ATOM 414 CB ALA A 26 -1.282 -1.307 9.247 1.00 0.00 C ATOM 0 H ALA A 26 -2.842 -2.083 10.969 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.017 -1.534 10.981 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.497 -0.847 8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.323 -2.375 9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.241 -0.851 9.002 1.00 0.00 H new ATOM 420 N GLY A 27 -2.090 0.981 11.310 1.00 0.00 N ATOM 421 CA GLY A 27 -2.145 2.443 11.601 1.00 0.00 C ATOM 422 C GLY A 27 -3.098 3.093 10.604 1.00 0.00 C ATOM 423 O GLY A 27 -2.814 4.129 10.035 1.00 0.00 O ATOM 0 H GLY A 27 -2.988 0.499 11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.488 2.615 12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.152 2.884 11.520 1.00 0.00 H new ATOM 427 N VAL A 28 -4.226 2.473 10.383 1.00 0.00 N ATOM 428 CA VAL A 28 -5.217 3.016 9.418 1.00 0.00 C ATOM 429 C VAL A 28 -6.474 3.448 10.181 1.00 0.00 C ATOM 430 O VAL A 28 -6.841 2.855 11.178 1.00 0.00 O ATOM 431 CB VAL A 28 -5.552 1.917 8.398 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.633 2.394 7.424 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.288 1.565 7.611 1.00 0.00 C ATOM 0 H VAL A 28 -4.503 1.603 10.837 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.814 3.883 8.894 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.923 1.042 8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.855 1.601 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.537 2.647 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.278 3.275 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.517 0.785 6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.925 2.451 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.520 1.207 8.297 1.00 0.00 H new ATOM 443 N LYS A 29 -7.129 4.479 9.714 1.00 0.00 N ATOM 444 CA LYS A 29 -8.362 4.967 10.398 1.00 0.00 C ATOM 445 C LYS A 29 -9.544 4.072 10.014 1.00 0.00 C ATOM 446 O LYS A 29 -9.698 3.698 8.865 1.00 0.00 O ATOM 447 CB LYS A 29 -8.642 6.413 9.958 1.00 0.00 C ATOM 448 CG LYS A 29 -8.934 7.290 11.185 1.00 0.00 C ATOM 449 CD LYS A 29 -7.771 8.259 11.420 1.00 0.00 C ATOM 450 CE LYS A 29 -8.203 9.340 12.415 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.002 9.889 13.107 1.00 0.00 N ATOM 0 H LYS A 29 -6.861 5.006 8.883 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.224 4.935 11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.784 6.809 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.491 6.436 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.858 7.847 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.080 6.663 12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.906 7.719 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.468 8.716 10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.732 10.138 11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.896 8.921 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.296 10.623 13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.515 9.124 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.356 10.303 12.405 1.00 0.00 H new ATOM 465 N ALA A 30 -10.386 3.734 10.961 1.00 0.00 N ATOM 466 CA ALA A 30 -11.566 2.872 10.648 1.00 0.00 C ATOM 467 C ALA A 30 -12.464 3.606 9.655 1.00 0.00 C ATOM 468 O ALA A 30 -13.091 3.004 8.805 1.00 0.00 O ATOM 469 CB ALA A 30 -12.350 2.582 11.928 1.00 0.00 C ATOM 0 H ALA A 30 -10.306 4.019 11.937 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.228 1.929 10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.209 1.953 11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.706 2.066 12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.695 3.520 12.364 1.00 0.00 H new ATOM 475 N ASN A 31 -12.513 4.910 9.751 1.00 0.00 N ATOM 476 CA ASN A 31 -13.344 5.706 8.811 1.00 0.00 C ATOM 477 C ASN A 31 -12.717 5.637 7.410 1.00 0.00 C ATOM 478 O ASN A 31 -13.391 5.814 6.413 1.00 0.00 O ATOM 479 CB ASN A 31 -13.385 7.159 9.297 1.00 0.00 C ATOM 480 CG ASN A 31 -14.835 7.645 9.365 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.251 8.470 8.575 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.626 7.166 10.285 1.00 0.00 N ATOM 0 H ASN A 31 -12.007 5.458 10.447 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.359 5.310 8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.920 7.236 10.280 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.811 7.794 8.622 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.594 7.484 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.277 6.474 10.948 1.00 0.00 H new ATOM 489 N ARG A 32 -11.432 5.377 7.331 1.00 0.00 N ATOM 490 CA ARG A 32 -10.756 5.291 6.006 1.00 0.00 C ATOM 491 C ARG A 32 -10.400 3.826 5.718 1.00 0.00 C ATOM 492 O ARG A 32 -9.249 3.481 5.511 1.00 0.00 O ATOM 493 CB ARG A 32 -9.478 6.137 6.037 1.00 0.00 C ATOM 494 CG ARG A 32 -9.809 7.602 5.720 1.00 0.00 C ATOM 495 CD ARG A 32 -9.297 8.508 6.845 1.00 0.00 C ATOM 496 NE ARG A 32 -10.088 9.777 6.863 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.934 10.669 7.822 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.080 10.486 8.803 1.00 0.00 N ATOM 499 NH2 ARG A 32 -10.650 11.760 7.795 1.00 0.00 N ATOM 0 H ARG A 32 -10.824 5.221 8.135 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.418 5.664 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.009 6.066 7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.760 5.753 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.353 7.890 4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.886 7.724 5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.385 7.999 7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.240 8.728 6.696 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.761 9.956 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.515 9.637 8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.981 11.193 9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.317 11.913 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.542 12.459 8.530 1.00 0.00 H new ATOM 513 N ILE A 33 -11.383 2.962 5.703 1.00 0.00 N ATOM 514 CA ILE A 33 -11.120 1.519 5.430 1.00 0.00 C ATOM 515 C ILE A 33 -11.803 1.121 4.118 1.00 0.00 C ATOM 516 O ILE A 33 -12.945 0.698 4.109 1.00 0.00 O ATOM 517 CB ILE A 33 -11.677 0.674 6.584 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.008 1.099 7.900 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.411 -0.816 6.324 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.501 0.819 7.852 1.00 0.00 C ATOM 0 H ILE A 33 -12.362 3.197 5.869 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.047 1.348 5.345 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.753 0.832 6.655 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.181 2.161 8.076 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.458 0.560 8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.810 -1.406 7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.896 -1.116 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.337 -0.985 6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.044 1.126 8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.334 -0.247 7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.053 1.378 7.031 1.00 0.00 H new ATOM 532 N PHE A 34 -11.111 1.249 3.015 1.00 0.00 N ATOM 533 CA PHE A 34 -11.712 0.877 1.701 1.00 0.00 C ATOM 534 C PHE A 34 -11.467 -0.608 1.439 1.00 0.00 C ATOM 535 O PHE A 34 -10.466 -0.989 0.861 1.00 0.00 O ATOM 536 CB PHE A 34 -11.071 1.711 0.589 1.00 0.00 C ATOM 537 CG PHE A 34 -11.924 2.925 0.317 1.00 0.00 C ATOM 538 CD1 PHE A 34 -13.125 2.793 -0.390 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.517 4.186 0.773 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.918 3.918 -0.642 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.309 5.311 0.521 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.511 5.178 -0.187 1.00 0.00 C ATOM 0 H PHE A 34 -10.153 1.596 2.969 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.784 1.071 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.067 2.017 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.971 1.113 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.440 1.822 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.591 4.289 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.844 3.814 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.994 6.283 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.123 6.047 -0.381 1.00 0.00 H new ATOM 552 N THR A 35 -12.372 -1.447 1.870 1.00 0.00 N ATOM 553 CA THR A 35 -12.204 -2.915 1.660 1.00 0.00 C ATOM 554 C THR A 35 -13.055 -3.367 0.469 1.00 0.00 C ATOM 555 O THR A 35 -13.942 -2.662 0.025 1.00 0.00 O ATOM 556 CB THR A 35 -12.646 -3.663 2.924 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.525 -5.064 2.712 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.102 -3.317 3.262 1.00 0.00 C ATOM 0 H THR A 35 -13.224 -1.177 2.361 1.00 0.00 H new ATOM 0 HA THR A 35 -11.156 -3.135 1.455 1.00 0.00 H new ATOM 0 HB THR A 35 -12.010 -3.362 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.806 -5.543 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.404 -3.854 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.191 -2.244 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.747 -3.607 2.432 1.00 0.00 H new ATOM 566 N ASP A 36 -12.789 -4.542 -0.043 1.00 0.00 N ATOM 567 CA ASP A 36 -13.574 -5.058 -1.200 1.00 0.00 C ATOM 568 C ASP A 36 -14.327 -6.323 -0.778 1.00 0.00 C ATOM 569 O ASP A 36 -13.731 -7.357 -0.539 1.00 0.00 O ATOM 570 CB ASP A 36 -12.621 -5.392 -2.348 1.00 0.00 C ATOM 571 CG ASP A 36 -11.916 -4.114 -2.806 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.417 -3.400 -1.953 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.886 -3.871 -4.002 1.00 0.00 O ATOM 0 H ASP A 36 -12.057 -5.168 0.294 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.287 -4.301 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.887 -6.130 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.173 -5.834 -3.177 1.00 0.00 H new ATOM 578 N LYS A 37 -15.630 -6.244 -0.682 1.00 0.00 N ATOM 579 CA LYS A 37 -16.427 -7.436 -0.269 1.00 0.00 C ATOM 580 C LYS A 37 -16.430 -8.471 -1.403 1.00 0.00 C ATOM 581 O LYS A 37 -17.435 -8.697 -2.052 1.00 0.00 O ATOM 582 CB LYS A 37 -17.862 -7.008 0.050 1.00 0.00 C ATOM 583 CG LYS A 37 -18.438 -7.918 1.140 1.00 0.00 C ATOM 584 CD LYS A 37 -17.692 -7.686 2.459 1.00 0.00 C ATOM 585 CE LYS A 37 -18.671 -7.808 3.630 1.00 0.00 C ATOM 586 NZ LYS A 37 -19.372 -9.121 3.556 1.00 0.00 N ATOM 0 H LYS A 37 -16.176 -5.404 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.981 -7.881 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.878 -5.970 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.477 -7.064 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.501 -7.715 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.348 -8.962 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.888 -8.414 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.230 -6.699 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.136 -7.722 4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.396 -6.994 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.780 -9.349 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.131 -9.070 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.694 -9.862 3.284 1.00 0.00 H new ATOM 600 N ALA A 38 -15.306 -9.101 -1.640 1.00 0.00 N ATOM 601 CA ALA A 38 -15.213 -10.130 -2.721 1.00 0.00 C ATOM 602 C ALA A 38 -16.261 -11.234 -2.505 1.00 0.00 C ATOM 603 O ALA A 38 -16.617 -11.945 -3.425 1.00 0.00 O ATOM 604 CB ALA A 38 -13.815 -10.752 -2.699 1.00 0.00 C ATOM 0 H ALA A 38 -14.440 -8.944 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.399 -9.652 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.739 -11.504 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.069 -9.975 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.640 -11.220 -1.730 1.00 0.00 H new ATOM 661 N ASP A 44 -15.532 -7.480 -5.529 1.00 0.00 N ATOM 662 CA ASP A 44 -15.996 -6.074 -5.375 1.00 0.00 C ATOM 663 C ASP A 44 -14.800 -5.130 -5.517 1.00 0.00 C ATOM 664 O ASP A 44 -14.363 -4.516 -4.561 1.00 0.00 O ATOM 665 CB ASP A 44 -16.638 -5.897 -3.994 1.00 0.00 C ATOM 666 CG ASP A 44 -18.114 -6.296 -4.061 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.382 -7.455 -4.331 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.951 -5.436 -3.839 1.00 0.00 O ATOM 0 HA ASP A 44 -16.733 -5.842 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.118 -6.510 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.545 -4.861 -3.668 1.00 0.00 H new ATOM 673 N ARG A 45 -14.267 -5.016 -6.707 1.00 0.00 N ATOM 674 CA ARG A 45 -13.094 -4.119 -6.926 1.00 0.00 C ATOM 675 C ARG A 45 -13.551 -2.656 -6.851 1.00 0.00 C ATOM 676 O ARG A 45 -13.511 -1.926 -7.823 1.00 0.00 O ATOM 677 CB ARG A 45 -12.481 -4.418 -8.302 1.00 0.00 C ATOM 678 CG ARG A 45 -10.960 -4.530 -8.179 1.00 0.00 C ATOM 679 CD ARG A 45 -10.301 -4.016 -9.460 1.00 0.00 C ATOM 680 NE ARG A 45 -8.815 -4.015 -9.290 1.00 0.00 N ATOM 681 CZ ARG A 45 -8.005 -3.927 -10.328 1.00 0.00 C ATOM 682 NH1 ARG A 45 -8.464 -3.839 -11.554 1.00 0.00 N ATOM 683 NH2 ARG A 45 -6.714 -3.929 -10.129 1.00 0.00 N ATOM 0 H ARG A 45 -14.595 -5.507 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.342 -4.292 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.892 -5.346 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.741 -3.627 -9.006 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.611 -3.953 -7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.675 -5.567 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.581 -4.647 -10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.653 -3.009 -9.684 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.420 -4.084 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.470 -3.837 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.815 -3.772 -12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.344 -3.998 -9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.076 -3.862 -10.922 1.00 0.00 H new ATOM 697 N LYS A 46 -13.987 -2.227 -5.694 1.00 0.00 N ATOM 698 CA LYS A 46 -14.450 -0.818 -5.529 1.00 0.00 C ATOM 699 C LYS A 46 -13.495 -0.059 -4.601 1.00 0.00 C ATOM 700 O LYS A 46 -13.466 1.158 -4.597 1.00 0.00 O ATOM 701 CB LYS A 46 -15.855 -0.813 -4.924 1.00 0.00 C ATOM 702 CG LYS A 46 -16.846 -1.419 -5.919 1.00 0.00 C ATOM 703 CD LYS A 46 -18.268 -1.293 -5.367 1.00 0.00 C ATOM 704 CE LYS A 46 -19.267 -1.249 -6.525 1.00 0.00 C ATOM 705 NZ LYS A 46 -19.695 -2.635 -6.866 1.00 0.00 N ATOM 0 H LYS A 46 -14.042 -2.798 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.466 -0.330 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.863 -1.383 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.151 0.206 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.771 -0.909 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.605 -2.467 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.491 -2.136 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.356 -0.390 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.133 -0.647 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.812 -0.774 -7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.374 -2.605 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.865 -3.196 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.145 -3.073 -6.037 1.00 0.00 H new ATOM 719 N GLY A 47 -12.720 -0.762 -3.807 1.00 0.00 N ATOM 720 CA GLY A 47 -11.773 -0.079 -2.874 1.00 0.00 C ATOM 721 C GLY A 47 -10.801 0.803 -3.663 1.00 0.00 C ATOM 722 O GLY A 47 -10.927 2.011 -3.678 1.00 0.00 O ATOM 0 H GLY A 47 -12.705 -1.781 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.329 0.528 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.218 -0.821 -2.299 1.00 0.00 H new ATOM 726 N LEU A 48 -9.827 0.210 -4.314 1.00 0.00 N ATOM 727 CA LEU A 48 -8.829 1.028 -5.100 1.00 0.00 C ATOM 728 C LEU A 48 -9.576 1.936 -6.089 1.00 0.00 C ATOM 729 O LEU A 48 -9.092 2.987 -6.463 1.00 0.00 O ATOM 730 CB LEU A 48 -7.814 0.157 -5.897 1.00 0.00 C ATOM 731 CG LEU A 48 -8.279 -1.296 -6.075 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.645 -1.316 -6.767 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.262 -2.045 -6.942 1.00 0.00 C ATOM 0 H LEU A 48 -9.675 -0.798 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.263 1.611 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.652 0.604 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.854 0.165 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.360 -1.776 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.974 -2.347 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.370 -0.776 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.565 -0.839 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.586 -3.078 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.189 -1.562 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.287 -2.029 -6.455 1.00 0.00 H new ATOM 745 N ASP A 49 -10.753 1.538 -6.508 1.00 0.00 N ATOM 746 CA ASP A 49 -11.537 2.376 -7.464 1.00 0.00 C ATOM 747 C ASP A 49 -11.851 3.726 -6.815 1.00 0.00 C ATOM 748 O ASP A 49 -11.536 4.772 -7.351 1.00 0.00 O ATOM 749 CB ASP A 49 -12.844 1.661 -7.817 1.00 0.00 C ATOM 750 CG ASP A 49 -13.212 1.952 -9.273 1.00 0.00 C ATOM 751 OD1 ASP A 49 -12.634 1.325 -10.146 1.00 0.00 O ATOM 752 OD2 ASP A 49 -14.067 2.795 -9.491 1.00 0.00 O ATOM 0 H ASP A 49 -11.204 0.667 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.955 2.535 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.735 0.587 -7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.643 1.996 -7.156 1.00 0.00 H new ATOM 757 N LEU A 50 -12.459 3.706 -5.656 1.00 0.00 N ATOM 758 CA LEU A 50 -12.787 4.981 -4.951 1.00 0.00 C ATOM 759 C LEU A 50 -11.522 5.516 -4.277 1.00 0.00 C ATOM 760 O LEU A 50 -11.343 6.710 -4.126 1.00 0.00 O ATOM 761 CB LEU A 50 -13.862 4.722 -3.889 1.00 0.00 C ATOM 762 CG LEU A 50 -15.036 3.961 -4.511 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.943 3.425 -3.403 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.836 4.907 -5.411 1.00 0.00 C ATOM 0 H LEU A 50 -12.743 2.858 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.162 5.711 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.440 4.147 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.210 5.667 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.656 3.128 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.778 2.883 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.374 2.752 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.324 4.257 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.672 4.367 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.215 5.739 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.191 5.289 -6.202 1.00 0.00 H new ATOM 776 N LEU A 51 -10.637 4.635 -3.876 1.00 0.00 N ATOM 777 CA LEU A 51 -9.368 5.070 -3.216 1.00 0.00 C ATOM 778 C LEU A 51 -8.585 5.970 -4.175 1.00 0.00 C ATOM 779 O LEU A 51 -7.952 6.924 -3.767 1.00 0.00 O ATOM 780 CB LEU A 51 -8.530 3.830 -2.882 1.00 0.00 C ATOM 781 CG LEU A 51 -7.642 4.109 -1.666 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.501 4.159 -0.403 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.603 2.994 -1.530 1.00 0.00 C ATOM 0 H LEU A 51 -10.742 3.626 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.593 5.620 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.185 2.983 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.913 3.557 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.137 5.066 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.867 4.358 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.243 4.952 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.007 3.203 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.970 3.190 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.110 2.038 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.988 2.958 -2.429 1.00 0.00 H new ATOM 795 N ARG A 52 -8.633 5.671 -5.448 1.00 0.00 N ATOM 796 CA ARG A 52 -7.904 6.503 -6.450 1.00 0.00 C ATOM 797 C ARG A 52 -8.479 7.923 -6.456 1.00 0.00 C ATOM 798 O ARG A 52 -7.798 8.873 -6.795 1.00 0.00 O ATOM 799 CB ARG A 52 -8.066 5.883 -7.839 1.00 0.00 C ATOM 800 CG ARG A 52 -7.185 4.637 -7.949 1.00 0.00 C ATOM 801 CD ARG A 52 -7.714 3.732 -9.064 1.00 0.00 C ATOM 802 NE ARG A 52 -7.840 4.522 -10.329 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.328 3.984 -11.429 1.00 0.00 C ATOM 804 NH1 ARG A 52 -8.726 2.733 -11.465 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.417 4.712 -12.508 1.00 0.00 N ATOM 0 H ARG A 52 -9.149 4.882 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.847 6.542 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.110 5.620 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.789 6.606 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.155 4.925 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.179 4.098 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.039 2.889 -9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.682 3.318 -8.783 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.542 5.497 -10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.661 2.153 -10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.100 2.341 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.111 5.685 -12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.793 4.308 -13.366 1.00 0.00 H new ATOM 819 N MET A 53 -9.728 8.072 -6.088 1.00 0.00 N ATOM 820 CA MET A 53 -10.354 9.428 -6.076 1.00 0.00 C ATOM 821 C MET A 53 -10.632 9.892 -4.631 1.00 0.00 C ATOM 822 O MET A 53 -11.201 10.948 -4.420 1.00 0.00 O ATOM 823 CB MET A 53 -11.660 9.378 -6.896 1.00 0.00 C ATOM 824 CG MET A 53 -12.754 8.614 -6.134 1.00 0.00 C ATOM 825 SD MET A 53 -14.276 8.601 -7.112 1.00 0.00 S ATOM 826 CE MET A 53 -15.394 8.140 -5.767 1.00 0.00 C ATOM 0 H MET A 53 -10.341 7.311 -5.795 1.00 0.00 H new ATOM 0 HA MET A 53 -9.669 10.149 -6.523 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.000 10.391 -7.110 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.474 8.895 -7.855 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.428 7.593 -5.936 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.935 9.084 -5.167 1.00 0.00 H new ATOM 0 HE1 MET A 53 -16.241 7.587 -6.172 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.862 7.515 -5.050 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.753 9.040 -5.268 1.00 0.00 H new ATOM 836 N LYS A 54 -10.250 9.118 -3.641 1.00 0.00 N ATOM 837 CA LYS A 54 -10.510 9.526 -2.228 1.00 0.00 C ATOM 838 C LYS A 54 -9.196 9.906 -1.539 1.00 0.00 C ATOM 839 O LYS A 54 -9.180 10.706 -0.623 1.00 0.00 O ATOM 840 CB LYS A 54 -11.160 8.362 -1.475 1.00 0.00 C ATOM 841 CG LYS A 54 -11.597 8.825 -0.076 1.00 0.00 C ATOM 842 CD LYS A 54 -13.091 8.536 0.135 1.00 0.00 C ATOM 843 CE LYS A 54 -13.879 9.850 0.139 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.024 10.344 -1.259 1.00 0.00 N ATOM 0 H LYS A 54 -9.771 8.224 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.177 10.388 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.022 7.993 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.457 7.534 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.009 8.312 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.406 9.892 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.460 7.883 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.239 8.010 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.861 9.696 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.365 10.594 0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.856 10.965 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.173 10.877 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.145 9.536 -1.902 1.00 0.00 H new ATOM 858 N VAL A 55 -8.096 9.339 -1.969 1.00 0.00 N ATOM 859 CA VAL A 55 -6.782 9.664 -1.334 1.00 0.00 C ATOM 860 C VAL A 55 -6.482 11.157 -1.496 1.00 0.00 C ATOM 861 O VAL A 55 -7.087 11.837 -2.303 1.00 0.00 O ATOM 862 CB VAL A 55 -5.672 8.846 -1.998 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.899 7.359 -1.722 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.683 9.095 -3.510 1.00 0.00 C ATOM 0 H VAL A 55 -8.052 8.665 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.829 9.419 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.707 9.148 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.108 6.776 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.886 7.182 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.865 7.057 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.892 8.511 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.647 8.796 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.518 10.155 -3.705 1.00 0.00 H new ATOM 874 N GLU A 56 -5.552 11.667 -0.730 1.00 0.00 N ATOM 875 CA GLU A 56 -5.201 13.114 -0.823 1.00 0.00 C ATOM 876 C GLU A 56 -3.709 13.254 -1.143 1.00 0.00 C ATOM 877 O GLU A 56 -2.935 12.333 -0.949 1.00 0.00 O ATOM 878 CB GLU A 56 -5.511 13.795 0.513 1.00 0.00 C ATOM 879 CG GLU A 56 -6.817 14.585 0.402 1.00 0.00 C ATOM 880 CD GLU A 56 -7.997 13.612 0.340 1.00 0.00 C ATOM 881 OE1 GLU A 56 -8.415 13.152 1.391 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.462 13.345 -0.755 1.00 0.00 O ATOM 0 H GLU A 56 -5.018 11.139 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.784 13.586 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.593 13.048 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.694 14.462 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.926 15.251 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.801 15.212 -0.490 1.00 0.00 H new ATOM 889 N GLU A 57 -3.303 14.399 -1.630 1.00 0.00 N ATOM 890 CA GLU A 57 -1.864 14.610 -1.967 1.00 0.00 C ATOM 891 C GLU A 57 -1.018 14.490 -0.697 1.00 0.00 C ATOM 892 O GLU A 57 -1.116 15.300 0.205 1.00 0.00 O ATOM 893 CB GLU A 57 -1.682 16.003 -2.574 1.00 0.00 C ATOM 894 CG GLU A 57 -0.587 15.957 -3.641 1.00 0.00 C ATOM 895 CD GLU A 57 -0.826 17.068 -4.665 1.00 0.00 C ATOM 896 OE1 GLU A 57 -1.719 16.911 -5.482 1.00 0.00 O ATOM 897 OE2 GLU A 57 -0.115 18.057 -4.613 1.00 0.00 O ATOM 0 H GLU A 57 -3.909 15.199 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.545 13.856 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.619 16.345 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.416 16.718 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.392 16.079 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.587 14.986 -4.136 1.00 0.00 H new ATOM 904 N GLY A 58 -0.186 13.483 -0.626 1.00 0.00 N ATOM 905 CA GLY A 58 0.675 13.295 0.578 1.00 0.00 C ATOM 906 C GLY A 58 -0.006 12.334 1.557 1.00 0.00 C ATOM 907 O GLY A 58 0.247 12.369 2.746 1.00 0.00 O ATOM 0 H GLY A 58 -0.066 12.780 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.647 12.900 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.854 14.255 1.062 1.00 0.00 H new ATOM 911 N ASP A 59 -0.868 11.475 1.067 1.00 0.00 N ATOM 912 CA ASP A 59 -1.567 10.512 1.966 1.00 0.00 C ATOM 913 C ASP A 59 -0.827 9.174 1.952 1.00 0.00 C ATOM 914 O ASP A 59 -0.101 8.869 1.025 1.00 0.00 O ATOM 915 CB ASP A 59 -3.001 10.304 1.472 1.00 0.00 C ATOM 916 CG ASP A 59 -3.926 11.350 2.103 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.444 12.418 2.447 1.00 0.00 O ATOM 918 OD2 ASP A 59 -5.107 11.066 2.222 1.00 0.00 O ATOM 0 H ASP A 59 -1.116 11.402 0.080 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.584 10.909 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.036 10.383 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.342 9.301 1.730 1.00 0.00 H new ATOM 923 N VAL A 60 -1.010 8.370 2.971 1.00 0.00 N ATOM 924 CA VAL A 60 -0.318 7.044 3.017 1.00 0.00 C ATOM 925 C VAL A 60 -1.356 5.930 2.882 1.00 0.00 C ATOM 926 O VAL A 60 -2.245 5.792 3.702 1.00 0.00 O ATOM 927 CB VAL A 60 0.446 6.865 4.341 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.817 7.533 4.232 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.336 7.483 5.508 1.00 0.00 C ATOM 0 H VAL A 60 -1.608 8.574 3.772 1.00 0.00 H new ATOM 0 HA VAL A 60 0.397 6.999 2.195 1.00 0.00 H new ATOM 0 HB VAL A 60 0.568 5.799 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.359 7.407 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.382 7.073 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.689 8.596 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.222 7.345 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.480 8.548 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.307 6.995 5.594 1.00 0.00 H new ATOM 939 N ILE A 61 -1.247 5.138 1.849 1.00 0.00 N ATOM 940 CA ILE A 61 -2.217 4.026 1.639 1.00 0.00 C ATOM 941 C ILE A 61 -1.617 2.726 2.181 1.00 0.00 C ATOM 942 O ILE A 61 -0.739 2.140 1.577 1.00 0.00 O ATOM 943 CB ILE A 61 -2.498 3.890 0.137 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.120 5.193 -0.373 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.463 2.730 -0.124 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.821 5.356 -1.863 1.00 0.00 C ATOM 0 H ILE A 61 -0.521 5.215 1.136 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.149 4.234 2.164 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.562 3.690 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.197 5.183 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.720 6.041 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.652 2.647 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.023 1.802 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.403 2.914 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.265 6.284 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.742 5.386 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.243 4.515 -2.413 1.00 0.00 H new ATOM 958 N LEU A 62 -2.088 2.274 3.315 1.00 0.00 N ATOM 959 CA LEU A 62 -1.553 1.012 3.900 1.00 0.00 C ATOM 960 C LEU A 62 -2.176 -0.180 3.176 1.00 0.00 C ATOM 961 O LEU A 62 -3.383 -0.318 3.110 1.00 0.00 O ATOM 962 CB LEU A 62 -1.897 0.948 5.391 1.00 0.00 C ATOM 963 CG LEU A 62 -0.705 1.446 6.210 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.192 1.941 7.570 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.288 0.299 6.411 1.00 0.00 C ATOM 0 H LEU A 62 -2.821 2.727 3.861 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.470 0.985 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.776 1.559 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.145 -0.075 5.675 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.216 2.263 5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.343 2.296 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.901 2.757 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.681 1.124 8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.138 0.652 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.202 -0.518 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.636 -0.055 5.441 1.00 0.00 H new ATOM 977 N VAL A 63 -1.357 -1.041 2.625 1.00 0.00 N ATOM 978 CA VAL A 63 -1.889 -2.227 1.895 1.00 0.00 C ATOM 979 C VAL A 63 -1.528 -3.505 2.656 1.00 0.00 C ATOM 980 O VAL A 63 -0.368 -3.852 2.795 1.00 0.00 O ATOM 981 CB VAL A 63 -1.281 -2.274 0.490 1.00 0.00 C ATOM 982 CG1 VAL A 63 -1.911 -3.419 -0.307 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.553 -0.949 -0.226 1.00 0.00 C ATOM 0 H VAL A 63 -0.340 -0.971 2.651 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.974 -2.150 1.819 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.206 -2.436 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.476 -3.449 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.720 -4.364 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.987 -3.260 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.121 -0.981 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.629 -0.790 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.103 -0.132 0.338 1.00 0.00 H new ATOM 1207 N ILE A 77 0.934 -3.071 -9.371 1.00 0.00 N ATOM 1208 CA ILE A 77 1.796 -2.054 -10.030 1.00 0.00 C ATOM 1209 C ILE A 77 0.929 -0.932 -10.622 1.00 0.00 C ATOM 1210 O ILE A 77 1.325 0.219 -10.650 1.00 0.00 O ATOM 1211 CB ILE A 77 2.590 -2.739 -11.144 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.374 -3.917 -10.555 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.564 -1.742 -11.769 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.564 -5.205 -10.725 1.00 0.00 C ATOM 0 HA ILE A 77 2.477 -1.617 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 77 1.904 -3.100 -11.910 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.338 -4.012 -11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.578 -3.740 -9.499 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.128 -2.233 -12.562 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.008 -0.902 -12.186 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.252 -1.378 -11.006 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.121 -6.043 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.611 -5.107 -10.205 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.382 -5.383 -11.785 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.243 -1.262 -11.110 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.130 -0.225 -11.719 1.00 0.00 C ATOM 1228 C GLN A 78 -1.516 0.826 -10.675 1.00 0.00 C ATOM 1229 O GLN A 78 -1.036 1.945 -10.716 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.391 -0.899 -12.272 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.758 -0.286 -13.625 1.00 0.00 C ATOM 1232 CD GLN A 78 -1.647 -0.568 -14.639 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -1.552 -1.659 -15.167 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -0.796 0.376 -14.935 1.00 0.00 N ATOM 0 H GLN A 78 -0.623 -2.209 -11.112 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.595 0.272 -12.529 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.223 -1.970 -12.382 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.217 -0.776 -11.571 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.701 -0.702 -13.980 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.903 0.789 -13.520 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.875 1.291 -14.492 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.051 0.198 -15.609 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.379 0.487 -9.744 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.786 1.491 -8.713 1.00 0.00 C ATOM 1245 C LEU A 79 -1.567 1.933 -7.885 1.00 0.00 C ATOM 1246 O LEU A 79 -1.622 2.934 -7.197 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.932 0.944 -7.816 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.486 -0.136 -6.797 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.611 -1.201 -7.450 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.733 0.505 -5.630 1.00 0.00 C ATOM 0 H LEU A 79 -2.814 -0.432 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.178 2.371 -9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.381 1.776 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.709 0.525 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.388 -0.620 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.319 -1.940 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.169 -1.692 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.719 -0.734 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.428 -0.268 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.850 1.022 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.384 1.219 -5.126 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.462 1.220 -7.959 1.00 0.00 N ATOM 1263 CA ILE A 80 0.747 1.632 -7.195 1.00 0.00 C ATOM 1264 C ILE A 80 1.408 2.786 -7.966 1.00 0.00 C ATOM 1265 O ILE A 80 1.977 3.687 -7.380 1.00 0.00 O ATOM 1266 CB ILE A 80 1.684 0.400 -7.040 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.355 -0.305 -5.718 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.174 0.792 -7.019 1.00 0.00 C ATOM 1269 CD1 ILE A 80 0.220 -1.314 -5.921 1.00 0.00 C ATOM 0 H ILE A 80 -0.354 0.373 -8.517 1.00 0.00 H new ATOM 0 HA ILE A 80 0.506 1.981 -6.191 1.00 0.00 H new ATOM 0 HB ILE A 80 1.518 -0.250 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.241 -0.815 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.066 0.431 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.785 -0.104 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.431 1.294 -7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.362 1.464 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.003 -1.807 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.669 -0.794 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.523 -2.060 -6.656 1.00 0.00 H new ATOM 1281 N LYS A 81 1.316 2.769 -9.274 1.00 0.00 N ATOM 1282 CA LYS A 81 1.917 3.868 -10.087 1.00 0.00 C ATOM 1283 C LYS A 81 0.963 5.067 -10.075 1.00 0.00 C ATOM 1284 O LYS A 81 1.383 6.208 -10.079 1.00 0.00 O ATOM 1285 CB LYS A 81 2.122 3.385 -11.532 1.00 0.00 C ATOM 1286 CG LYS A 81 3.618 3.377 -11.876 1.00 0.00 C ATOM 1287 CD LYS A 81 4.132 1.937 -11.899 1.00 0.00 C ATOM 1288 CE LYS A 81 3.927 1.348 -13.299 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.146 1.593 -14.123 1.00 0.00 N ATOM 0 H LYS A 81 0.849 2.039 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 81 2.881 4.157 -9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.708 2.384 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.585 4.037 -12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.781 3.847 -12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.173 3.960 -11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.189 1.912 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.602 1.338 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.730 0.278 -13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.057 1.802 -13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.009 1.194 -15.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.314 2.617 -14.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.966 1.140 -13.673 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.321 4.806 -10.060 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.319 5.914 -10.046 1.00 0.00 C ATOM 1305 C GLU A 82 -1.136 6.746 -8.775 1.00 0.00 C ATOM 1306 O GLU A 82 -1.064 7.961 -8.825 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.732 5.325 -10.075 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.648 6.226 -10.905 1.00 0.00 C ATOM 1309 CD GLU A 82 -4.338 7.238 -9.987 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.643 7.871 -9.209 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -5.548 7.360 -10.077 1.00 0.00 O ATOM 0 H GLU A 82 -0.720 3.867 -10.057 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.173 6.550 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.710 4.322 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.119 5.232 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.069 6.747 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.393 5.624 -11.426 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.055 6.099 -7.640 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.868 6.843 -6.362 1.00 0.00 C ATOM 1320 C PHE A 83 0.537 7.446 -6.332 1.00 0.00 C ATOM 1321 O PHE A 83 0.759 8.493 -5.755 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.037 5.882 -5.181 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.493 5.501 -5.035 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.474 6.498 -4.938 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.861 4.152 -4.993 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.820 6.143 -4.801 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.210 3.797 -4.855 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.189 4.793 -4.759 1.00 0.00 C ATOM 0 H PHE A 83 -1.111 5.085 -7.545 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.610 7.638 -6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.432 4.989 -5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.681 6.352 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.191 7.540 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.105 3.384 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.576 6.911 -4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.494 2.755 -4.823 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.229 4.520 -4.653 1.00 0.00 H new ATOM 1338 N ASP A 84 1.485 6.791 -6.956 1.00 0.00 N ATOM 1339 CA ASP A 84 2.880 7.320 -6.975 1.00 0.00 C ATOM 1340 C ASP A 84 2.901 8.657 -7.718 1.00 0.00 C ATOM 1341 O ASP A 84 3.594 9.581 -7.337 1.00 0.00 O ATOM 1342 CB ASP A 84 3.795 6.325 -7.694 1.00 0.00 C ATOM 1343 CG ASP A 84 5.241 6.543 -7.245 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.544 6.208 -6.110 1.00 0.00 O ATOM 1345 OD2 ASP A 84 6.019 7.041 -8.040 1.00 0.00 O ATOM 0 H ASP A 84 1.350 5.911 -7.454 1.00 0.00 H new ATOM 0 HA ASP A 84 3.231 7.461 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.485 5.304 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.715 6.456 -8.773 1.00 0.00 H new ATOM 1350 N ALA A 85 2.144 8.758 -8.779 1.00 0.00 N ATOM 1351 CA ALA A 85 2.105 10.026 -9.565 1.00 0.00 C ATOM 1352 C ALA A 85 1.152 11.031 -8.905 1.00 0.00 C ATOM 1353 O ALA A 85 1.227 12.218 -9.162 1.00 0.00 O ATOM 1354 CB ALA A 85 1.619 9.727 -10.985 1.00 0.00 C ATOM 0 H ALA A 85 1.548 8.012 -9.137 1.00 0.00 H new ATOM 0 HA ALA A 85 3.107 10.454 -9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.589 10.651 -11.562 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.301 9.023 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.620 9.293 -10.944 1.00 0.00 H new ATOM 1360 N GLN A 86 0.256 10.570 -8.061 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.697 11.503 -7.395 1.00 0.00 C ATOM 1362 C GLN A 86 -0.052 12.134 -6.147 1.00 0.00 C ATOM 1363 O GLN A 86 -0.713 12.828 -5.397 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.955 10.722 -6.986 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.115 11.079 -7.920 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.445 10.793 -7.220 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -5.114 11.701 -6.767 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.859 9.560 -7.112 1.00 0.00 N ATOM 0 H GLN A 86 0.148 9.588 -7.808 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.961 12.301 -8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.759 9.651 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.221 10.957 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.059 12.131 -8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.045 10.500 -8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.297 8.798 -7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.744 9.358 -6.647 1.00 0.00 H new ATOM 1377 N GLY A 87 1.221 11.905 -5.915 1.00 0.00 N ATOM 1378 CA GLY A 87 1.883 12.497 -4.715 1.00 0.00 C ATOM 1379 C GLY A 87 1.401 11.770 -3.460 1.00 0.00 C ATOM 1380 O GLY A 87 1.332 12.342 -2.390 1.00 0.00 O ATOM 0 H GLY A 87 1.826 11.334 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.966 12.412 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.651 13.560 -4.645 1.00 0.00 H new ATOM 1384 N VAL A 88 1.066 10.511 -3.589 1.00 0.00 N ATOM 1385 CA VAL A 88 0.583 9.734 -2.411 1.00 0.00 C ATOM 1386 C VAL A 88 1.507 8.539 -2.178 1.00 0.00 C ATOM 1387 O VAL A 88 2.057 7.976 -3.105 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.843 9.246 -2.676 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.384 8.523 -1.439 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.739 10.446 -2.990 1.00 0.00 C ATOM 0 H VAL A 88 1.107 9.987 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 88 0.587 10.368 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.835 8.558 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.399 8.178 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.748 7.668 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.390 9.208 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.756 10.101 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.740 11.131 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.361 10.962 -3.873 1.00 0.00 H new ATOM 1400 N SER A 89 1.681 8.154 -0.940 1.00 0.00 N ATOM 1401 CA SER A 89 2.569 6.998 -0.627 1.00 0.00 C ATOM 1402 C SER A 89 1.717 5.772 -0.304 1.00 0.00 C ATOM 1403 O SER A 89 0.551 5.887 0.019 1.00 0.00 O ATOM 1404 CB SER A 89 3.447 7.342 0.578 1.00 0.00 C ATOM 1405 OG SER A 89 4.691 7.856 0.123 1.00 0.00 O ATOM 0 H SER A 89 1.244 8.593 -0.130 1.00 0.00 H new ATOM 0 HA SER A 89 3.202 6.782 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.946 8.076 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.609 6.454 1.189 1.00 0.00 H new ATOM 0 HG SER A 89 5.254 8.079 0.893 1.00 0.00 H new ATOM 1411 N ILE A 90 2.292 4.599 -0.385 1.00 0.00 N ATOM 1412 CA ILE A 90 1.523 3.359 -0.076 1.00 0.00 C ATOM 1413 C ILE A 90 2.357 2.459 0.837 1.00 0.00 C ATOM 1414 O ILE A 90 3.304 1.830 0.404 1.00 0.00 O ATOM 1415 CB ILE A 90 1.199 2.610 -1.371 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.527 3.571 -2.365 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.254 1.446 -1.054 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.196 2.833 -3.668 1.00 0.00 C ATOM 0 H ILE A 90 3.265 4.448 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 90 0.593 3.629 0.424 1.00 0.00 H new ATOM 0 HB ILE A 90 2.117 2.223 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.384 3.980 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.187 4.413 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.019 0.908 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.735 0.768 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.665 1.833 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.280 3.522 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.114 2.445 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.482 2.006 -3.456 1.00 0.00 H new ATOM 1430 N ARG A 91 2.011 2.399 2.096 1.00 0.00 N ATOM 1431 CA ARG A 91 2.778 1.546 3.050 1.00 0.00 C ATOM 1432 C ARG A 91 2.336 0.088 2.900 1.00 0.00 C ATOM 1433 O ARG A 91 1.161 -0.218 2.921 1.00 0.00 O ATOM 1434 CB ARG A 91 2.507 2.017 4.481 1.00 0.00 C ATOM 1435 CG ARG A 91 2.796 3.516 4.590 1.00 0.00 C ATOM 1436 CD ARG A 91 2.970 3.898 6.060 1.00 0.00 C ATOM 1437 NE ARG A 91 1.641 4.269 6.638 1.00 0.00 N ATOM 1438 CZ ARG A 91 1.478 4.436 7.937 1.00 0.00 C ATOM 1439 NH1 ARG A 91 2.473 4.281 8.780 1.00 0.00 N ATOM 1440 NH2 ARG A 91 0.300 4.761 8.393 1.00 0.00 N ATOM 0 H ARG A 91 1.227 2.906 2.506 1.00 0.00 H new ATOM 0 HA ARG A 91 3.844 1.625 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.470 1.815 4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.132 1.464 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.697 3.765 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.979 4.087 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.400 3.065 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.664 4.734 6.150 1.00 0.00 H new ATOM 0 HE ARG A 91 0.844 4.396 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.398 4.026 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.320 4.416 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.481 4.883 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.160 4.893 9.395 1.00 0.00 H new ATOM 1454 N PHE A 92 3.271 -0.814 2.747 1.00 0.00 N ATOM 1455 CA PHE A 92 2.911 -2.254 2.593 1.00 0.00 C ATOM 1456 C PHE A 92 2.765 -2.900 3.970 1.00 0.00 C ATOM 1457 O PHE A 92 3.175 -2.349 4.973 1.00 0.00 O ATOM 1458 CB PHE A 92 4.005 -2.982 1.807 1.00 0.00 C ATOM 1459 CG PHE A 92 3.694 -2.927 0.326 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.404 -1.702 -0.291 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.693 -4.105 -0.428 1.00 0.00 C ATOM 1462 CE1 PHE A 92 3.117 -1.658 -1.660 1.00 0.00 C ATOM 1463 CE2 PHE A 92 3.406 -4.063 -1.797 1.00 0.00 C ATOM 1464 CZ PHE A 92 3.118 -2.838 -2.414 1.00 0.00 C ATOM 0 H PHE A 92 4.271 -0.614 2.722 1.00 0.00 H new ATOM 0 HA PHE A 92 1.967 -2.327 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.974 -2.522 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.073 -4.019 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.402 -0.792 0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.914 -5.049 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.895 -0.714 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.406 -4.974 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.897 -2.804 -3.471 1.00 0.00 H new ATOM 1474 N ILE A 93 2.176 -4.071 4.010 1.00 0.00 N ATOM 1475 CA ILE A 93 1.963 -4.808 5.301 1.00 0.00 C ATOM 1476 C ILE A 93 3.210 -4.757 6.206 1.00 0.00 C ATOM 1477 O ILE A 93 3.092 -4.769 7.418 1.00 0.00 O ATOM 1478 CB ILE A 93 1.639 -6.276 4.969 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.448 -7.083 6.270 1.00 0.00 C ATOM 1480 CG2 ILE A 93 2.790 -6.871 4.145 1.00 0.00 C ATOM 1481 CD1 ILE A 93 1.191 -8.558 5.947 1.00 0.00 C ATOM 0 H ILE A 93 1.826 -4.559 3.186 1.00 0.00 H new ATOM 0 HA ILE A 93 1.144 -4.333 5.841 1.00 0.00 H new ATOM 0 HB ILE A 93 0.715 -6.323 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.335 -6.990 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.611 -6.677 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.567 -7.911 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.907 -6.304 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.714 -6.821 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.058 -9.116 6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.291 -8.646 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.041 -8.964 5.398 1.00 0.00 H new