USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 806 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 3 SER OG : rot 91:sc= 0.947 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 9 LYS NZ :NH3+ 150:sc= 1.03 (180deg=0.627) USER MOD Single : A 25 THR OG1 : rot 64:sc= 1.03 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -146:sc= 1.19 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 1.59 (180deg=1.59) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0.198 (180deg=0.154) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 84:sc= 0.889 USER MOD Single : B 4 THR OG1 : rot 180:sc= -1.03 USER MOD Single : B 9 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.974) USER MOD Single : B 25 THR OG1 : rot 65:sc= 1.28 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 TYR OH : rot -165:sc= 1.24 USER MOD Single : B 42 LYS NZ :NH3+ -119:sc= 1.22 (180deg=0.319) USER MOD Single : B 46 LYS NZ :NH3+ 156:sc= 0.913 (180deg=0.208) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -1.816 -12.609 -3.041 1.00 0.48 N ATOM 43 CA SER A 3 -1.858 -11.274 -3.593 1.00 0.40 C ATOM 44 C SER A 3 -2.767 -11.275 -4.813 1.00 0.40 C ATOM 45 O SER A 3 -3.507 -12.237 -5.039 1.00 0.46 O ATOM 46 CB SER A 3 -0.446 -10.829 -3.993 1.00 0.41 C ATOM 47 OG SER A 3 0.390 -10.698 -2.854 1.00 0.44 O ATOM 0 HA SER A 3 -2.244 -10.579 -2.847 1.00 0.40 H new ATOM 0 HB2 SER A 3 -0.015 -11.554 -4.683 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.497 -9.877 -4.522 1.00 0.41 H new ATOM 0 HG SER A 3 0.848 -11.548 -2.685 1.00 0.44 H new ATOM 53 N THR A 4 -2.709 -10.199 -5.582 1.00 0.37 N ATOM 54 CA THR A 4 -3.415 -10.106 -6.848 1.00 0.37 C ATOM 55 C THR A 4 -4.929 -10.089 -6.650 1.00 0.37 C ATOM 56 O THR A 4 -5.626 -11.060 -6.950 1.00 0.48 O ATOM 57 CB THR A 4 -3.015 -11.251 -7.799 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.587 -11.363 -7.842 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.542 -11.001 -9.200 1.00 0.45 C ATOM 0 H THR A 4 -2.171 -9.366 -5.345 1.00 0.37 H new ATOM 0 HA THR A 4 -3.123 -9.160 -7.305 1.00 0.37 H new ATOM 0 HB THR A 4 -3.450 -12.177 -7.424 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.334 -12.092 -8.446 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.246 -11.823 -9.852 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.630 -10.932 -9.173 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.129 -10.068 -9.583 1.00 0.45 H new ATOM 67 N GLY A 5 -5.422 -8.997 -6.091 1.00 0.31 N ATOM 68 CA GLY A 5 -6.845 -8.814 -5.964 1.00 0.30 C ATOM 69 C GLY A 5 -7.368 -9.400 -4.678 1.00 0.28 C ATOM 70 O GLY A 5 -8.415 -10.050 -4.657 1.00 0.32 O ATOM 0 H GLY A 5 -4.857 -8.232 -5.722 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -7.080 -7.750 -6.002 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.349 -9.282 -6.809 1.00 0.30 H new ATOM 74 N ILE A 6 -6.628 -9.184 -3.603 1.00 0.27 N ATOM 75 CA ILE A 6 -7.029 -9.678 -2.300 1.00 0.28 C ATOM 76 C ILE A 6 -7.306 -8.519 -1.352 1.00 0.27 C ATOM 77 O ILE A 6 -6.608 -7.510 -1.362 1.00 0.40 O ATOM 78 CB ILE A 6 -5.975 -10.624 -1.684 1.00 0.34 C ATOM 79 CG1 ILE A 6 -6.508 -11.213 -0.376 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.655 -9.898 -1.454 1.00 0.35 C ATOM 81 CD1 ILE A 6 -7.747 -12.062 -0.554 1.00 0.49 C ATOM 0 H ILE A 6 -5.747 -8.670 -3.609 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.943 -10.254 -2.445 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.785 -11.437 -2.385 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -5.727 -11.817 0.085 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.731 -10.400 0.314 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.931 -10.588 -1.020 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -4.275 -9.524 -2.405 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.813 -9.062 -0.773 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -8.067 -12.446 0.415 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -8.544 -11.457 -0.986 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -7.524 -12.896 -1.219 1.00 0.49 H new ATOM 93 N VAL A 7 -8.319 -8.676 -0.529 1.00 0.24 N ATOM 94 CA VAL A 7 -8.781 -7.602 0.326 1.00 0.24 C ATOM 95 C VAL A 7 -8.031 -7.593 1.664 1.00 0.27 C ATOM 96 O VAL A 7 -7.886 -8.630 2.315 1.00 0.34 O ATOM 97 CB VAL A 7 -10.299 -7.717 0.568 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.663 -9.053 1.213 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.778 -6.563 1.417 1.00 0.34 C ATOM 0 H VAL A 7 -8.844 -9.545 -0.433 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.576 -6.661 -0.184 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.801 -7.675 -0.399 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.741 -9.100 1.369 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.355 -9.869 0.559 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.153 -9.145 2.172 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.852 -6.654 1.582 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.261 -6.578 2.376 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.568 -5.623 0.906 1.00 0.34 H new ATOM 109 N ARG A 8 -7.511 -6.432 2.048 1.00 0.26 N ATOM 110 CA ARG A 8 -6.872 -6.260 3.350 1.00 0.32 C ATOM 111 C ARG A 8 -7.479 -5.068 4.087 1.00 0.27 C ATOM 112 O ARG A 8 -8.143 -4.231 3.478 1.00 0.22 O ATOM 113 CB ARG A 8 -5.363 -6.056 3.200 1.00 0.40 C ATOM 114 CG ARG A 8 -4.567 -7.351 3.167 1.00 0.53 C ATOM 115 CD ARG A 8 -4.691 -8.064 1.832 1.00 0.54 C ATOM 116 NE ARG A 8 -3.852 -9.262 1.766 1.00 0.76 N ATOM 117 CZ ARG A 8 -4.243 -10.472 2.172 1.00 1.02 C ATOM 118 NH1 ARG A 8 -5.441 -10.643 2.722 1.00 1.96 N ATOM 119 NH2 ARG A 8 -3.438 -11.517 2.019 1.00 1.11 N ATOM 0 H ARG A 8 -7.519 -5.590 1.472 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.044 -7.168 3.928 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.171 -5.499 2.283 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -5.005 -5.442 4.026 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -3.517 -7.136 3.366 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -4.914 -8.010 3.963 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.732 -8.342 1.665 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -4.411 -7.381 1.030 1.00 0.54 H new ATOM 0 HE ARG A 8 -2.910 -9.166 1.386 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -6.068 -9.847 2.836 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -5.733 -11.570 3.030 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.520 -11.395 1.591 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -3.738 -12.441 2.330 1.00 1.11 H new ATOM 133 N LYS A 9 -7.247 -4.998 5.394 1.00 0.31 N ATOM 134 CA LYS A 9 -7.753 -3.897 6.216 1.00 0.27 C ATOM 135 C LYS A 9 -6.747 -2.749 6.257 1.00 0.23 C ATOM 136 O LYS A 9 -5.569 -2.935 5.936 1.00 0.26 O ATOM 137 CB LYS A 9 -8.020 -4.376 7.648 1.00 0.30 C ATOM 138 CG LYS A 9 -9.150 -5.389 7.795 1.00 1.16 C ATOM 139 CD LYS A 9 -10.523 -4.724 7.813 1.00 0.84 C ATOM 140 CE LYS A 9 -11.079 -4.516 6.415 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.457 -3.952 6.446 1.00 0.73 N ATOM 0 H LYS A 9 -6.709 -5.693 5.912 1.00 0.31 H new ATOM 0 HA LYS A 9 -8.683 -3.547 5.769 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -7.105 -4.817 8.043 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -8.249 -3.509 8.267 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -9.105 -6.103 6.972 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.010 -5.955 8.716 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -11.215 -5.338 8.389 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -10.452 -3.762 8.321 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -10.424 -3.845 5.860 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -11.087 -5.467 5.882 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.613 -3.370 5.598 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -13.149 -4.728 6.466 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -12.572 -3.363 7.296 1.00 0.73 H new ATOM 155 N VAL A 10 -7.215 -1.566 6.646 1.00 0.20 N ATOM 156 CA VAL A 10 -6.329 -0.436 6.872 1.00 0.21 C ATOM 157 C VAL A 10 -5.813 -0.495 8.314 1.00 0.24 C ATOM 158 O VAL A 10 -5.390 -1.549 8.787 1.00 0.44 O ATOM 159 CB VAL A 10 -7.039 0.927 6.634 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.039 1.998 6.219 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.159 0.810 5.612 1.00 0.20 C ATOM 0 H VAL A 10 -8.202 -1.369 6.810 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.507 -0.504 6.159 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.489 1.226 7.580 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.561 2.941 6.059 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.294 2.125 7.005 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.544 1.696 5.296 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.629 1.784 5.475 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.750 0.467 4.662 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -8.902 0.095 5.966 1.00 0.20 H new ATOM 171 N ASP A 11 -5.862 0.632 9.011 1.00 0.24 N ATOM 172 CA ASP A 11 -5.483 0.699 10.419 1.00 0.23 C ATOM 173 C ASP A 11 -6.108 1.932 11.031 1.00 0.24 C ATOM 174 O ASP A 11 -6.985 1.846 11.887 1.00 0.24 O ATOM 175 CB ASP A 11 -3.962 0.746 10.583 1.00 0.40 C ATOM 176 CG ASP A 11 -3.536 0.838 12.032 1.00 0.61 C ATOM 177 OD1 ASP A 11 -4.011 0.018 12.847 1.00 1.15 O ATOM 178 OD2 ASP A 11 -2.712 1.719 12.354 1.00 1.32 O ATOM 0 H ASP A 11 -6.164 1.524 8.619 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.842 -0.197 10.926 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.524 -0.146 10.135 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.568 1.603 10.037 1.00 0.40 H new ATOM 183 N GLU A 12 -5.651 3.082 10.563 1.00 0.30 N ATOM 184 CA GLU A 12 -6.294 4.348 10.854 1.00 0.33 C ATOM 185 C GLU A 12 -6.013 5.345 9.749 1.00 0.31 C ATOM 186 O GLU A 12 -6.782 5.473 8.794 1.00 0.35 O ATOM 187 CB GLU A 12 -5.849 4.941 12.194 1.00 0.39 C ATOM 188 CG GLU A 12 -4.436 4.582 12.616 1.00 0.43 C ATOM 189 CD GLU A 12 -4.051 5.269 13.906 1.00 0.56 C ATOM 190 OE1 GLU A 12 -4.226 6.501 13.996 1.00 1.39 O ATOM 191 OE2 GLU A 12 -3.590 4.589 14.842 1.00 1.08 O ATOM 0 H GLU A 12 -4.824 3.162 9.971 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.364 4.148 10.918 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -5.931 6.027 12.139 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.539 4.608 12.969 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.356 3.502 12.740 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.737 4.866 11.829 1.00 0.43 H new ATOM 198 N LEU A 13 -4.875 5.997 9.867 1.00 0.31 N ATOM 199 CA LEU A 13 -4.517 7.101 9.002 1.00 0.32 C ATOM 200 C LEU A 13 -4.077 6.637 7.613 1.00 0.35 C ATOM 201 O LEU A 13 -4.024 7.439 6.684 1.00 0.60 O ATOM 202 CB LEU A 13 -3.425 7.943 9.666 1.00 0.37 C ATOM 203 CG LEU A 13 -1.999 7.373 9.619 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.996 8.439 10.037 1.00 0.54 C ATOM 205 CD2 LEU A 13 -1.863 6.149 10.516 1.00 0.43 C ATOM 0 H LEU A 13 -4.169 5.775 10.569 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.408 7.711 8.856 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.416 8.925 9.193 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.698 8.094 10.710 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.793 7.066 8.594 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.012 8.025 10.000 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -1.064 9.289 9.358 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -1.216 8.768 11.053 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -0.843 5.769 10.461 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -2.092 6.425 11.545 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.556 5.376 10.184 1.00 0.43 H new ATOM 217 N GLY A 14 -3.782 5.346 7.462 1.00 0.20 N ATOM 218 CA GLY A 14 -3.370 4.853 6.157 1.00 0.24 C ATOM 219 C GLY A 14 -2.569 3.570 6.194 1.00 0.22 C ATOM 220 O GLY A 14 -2.345 2.972 5.155 1.00 0.34 O ATOM 0 H GLY A 14 -3.819 4.646 8.203 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.258 4.694 5.546 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -2.777 5.622 5.663 1.00 0.24 H new ATOM 224 N ARG A 15 -2.122 3.136 7.364 1.00 0.15 N ATOM 225 CA ARG A 15 -1.294 1.935 7.432 1.00 0.17 C ATOM 226 C ARG A 15 -2.064 0.683 7.028 1.00 0.16 C ATOM 227 O ARG A 15 -2.823 0.126 7.815 1.00 0.18 O ATOM 228 CB ARG A 15 -0.682 1.744 8.814 1.00 0.20 C ATOM 229 CG ARG A 15 0.822 1.656 8.756 1.00 0.23 C ATOM 230 CD ARG A 15 1.436 1.598 10.135 1.00 0.29 C ATOM 231 NE ARG A 15 2.880 1.800 10.089 1.00 0.59 N ATOM 232 CZ ARG A 15 3.550 2.558 10.954 1.00 0.78 C ATOM 233 NH1 ARG A 15 2.915 3.165 11.952 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.859 2.709 10.828 1.00 1.26 N ATOM 0 H ARG A 15 -2.311 3.583 8.261 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.487 2.085 6.715 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -0.972 2.574 9.457 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -1.082 0.836 9.266 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.112 0.770 8.192 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.216 2.519 8.219 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.982 2.360 10.769 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.217 0.632 10.591 1.00 0.29 H new ATOM 0 HE ARG A 15 3.407 1.333 9.351 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.907 3.052 12.059 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.436 3.744 12.611 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.355 2.244 10.068 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.372 3.290 11.491 1.00 1.26 H new ATOM 248 N VAL A 16 -1.867 0.259 5.789 1.00 0.16 N ATOM 249 CA VAL A 16 -2.490 -0.957 5.286 1.00 0.16 C ATOM 250 C VAL A 16 -1.533 -2.133 5.407 1.00 0.16 C ATOM 251 O VAL A 16 -0.324 -1.984 5.200 1.00 0.15 O ATOM 252 CB VAL A 16 -2.928 -0.790 3.820 1.00 0.17 C ATOM 253 CG1 VAL A 16 -3.859 0.393 3.713 1.00 1.04 C ATOM 254 CG2 VAL A 16 -1.726 -0.609 2.907 1.00 0.97 C ATOM 0 H VAL A 16 -1.278 0.741 5.110 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.376 -1.152 5.891 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.449 -1.693 3.501 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -4.173 0.516 2.676 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -4.735 0.225 4.340 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -3.343 1.294 4.045 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -2.065 -0.493 1.878 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -1.171 0.279 3.208 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -1.079 -1.483 2.980 1.00 0.97 H new ATOM 264 N VAL A 17 -2.068 -3.294 5.757 1.00 0.17 N ATOM 265 CA VAL A 17 -1.247 -4.480 5.955 1.00 0.18 C ATOM 266 C VAL A 17 -0.883 -5.115 4.618 1.00 0.19 C ATOM 267 O VAL A 17 -1.719 -5.757 3.980 1.00 0.25 O ATOM 268 CB VAL A 17 -1.972 -5.535 6.815 1.00 0.21 C ATOM 269 CG1 VAL A 17 -1.068 -6.730 7.081 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.462 -4.930 8.118 1.00 0.22 C ATOM 0 H VAL A 17 -3.066 -3.440 5.910 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.344 -4.155 6.472 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.841 -5.884 6.257 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.601 -7.461 7.689 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.780 -7.187 6.134 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.174 -6.400 7.611 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -2.970 -5.695 8.706 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.613 -4.543 8.682 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.156 -4.117 7.904 1.00 0.22 H new ATOM 280 N ILE A 18 0.347 -4.909 4.189 1.00 0.17 N ATOM 281 CA ILE A 18 0.844 -5.538 2.978 1.00 0.21 C ATOM 282 C ILE A 18 1.377 -6.934 3.286 1.00 0.17 C ATOM 283 O ILE A 18 2.082 -7.125 4.277 1.00 0.18 O ATOM 284 CB ILE A 18 1.950 -4.685 2.314 1.00 0.30 C ATOM 285 CG1 ILE A 18 1.389 -3.314 1.929 1.00 0.36 C ATOM 286 CG2 ILE A 18 2.530 -5.395 1.102 1.00 0.39 C ATOM 287 CD1 ILE A 18 2.328 -2.478 1.086 1.00 0.62 C ATOM 0 H ILE A 18 1.023 -4.309 4.662 1.00 0.17 H new ATOM 0 HA ILE A 18 0.011 -5.618 2.279 1.00 0.21 H new ATOM 0 HB ILE A 18 2.759 -4.543 3.030 1.00 0.30 H new ATOM 0 HG12 ILE A 18 0.456 -3.455 1.383 1.00 0.36 H new ATOM 0 HG13 ILE A 18 1.147 -2.764 2.838 1.00 0.36 H new ATOM 0 HG21 ILE A 18 3.306 -4.774 0.653 1.00 0.39 H new ATOM 0 HG22 ILE A 18 2.961 -6.348 1.410 1.00 0.39 H new ATOM 0 HG23 ILE A 18 1.740 -5.573 0.372 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.857 -1.522 0.856 1.00 0.62 H new ATOM 0 HD12 ILE A 18 3.253 -2.303 1.636 1.00 0.62 H new ATOM 0 HD13 ILE A 18 2.551 -3.005 0.159 1.00 0.62 H new ATOM 299 N PRO A 19 1.000 -7.925 2.456 1.00 0.22 N ATOM 300 CA PRO A 19 1.442 -9.317 2.584 1.00 0.24 C ATOM 301 C PRO A 19 2.916 -9.480 2.948 1.00 0.23 C ATOM 302 O PRO A 19 3.789 -8.789 2.412 1.00 0.20 O ATOM 303 CB PRO A 19 1.209 -9.863 1.189 1.00 0.28 C ATOM 304 CG PRO A 19 0.000 -9.141 0.715 1.00 0.31 C ATOM 305 CD PRO A 19 0.070 -7.763 1.320 1.00 0.29 C ATOM 0 HA PRO A 19 0.908 -9.822 3.389 1.00 0.24 H new ATOM 0 HB2 PRO A 19 2.065 -9.677 0.540 1.00 0.28 H new ATOM 0 HB3 PRO A 19 1.049 -10.941 1.204 1.00 0.28 H new ATOM 0 HG2 PRO A 19 -0.020 -9.088 -0.374 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -0.908 -9.657 1.026 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.438 -7.029 0.603 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.911 -7.421 1.651 1.00 0.29 H new ATOM 313 N ILE A 20 3.181 -10.419 3.846 1.00 0.28 N ATOM 314 CA ILE A 20 4.543 -10.761 4.216 1.00 0.30 C ATOM 315 C ILE A 20 5.331 -11.210 2.983 1.00 0.29 C ATOM 316 O ILE A 20 6.531 -10.959 2.869 1.00 0.28 O ATOM 317 CB ILE A 20 4.578 -11.865 5.299 1.00 0.37 C ATOM 318 CG1 ILE A 20 6.022 -12.182 5.699 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.865 -13.121 4.813 1.00 0.41 C ATOM 320 CD1 ILE A 20 6.134 -13.204 6.808 1.00 0.86 C ATOM 0 H ILE A 20 2.465 -10.959 4.333 1.00 0.28 H new ATOM 0 HA ILE A 20 5.007 -9.867 4.633 1.00 0.30 H new ATOM 0 HB ILE A 20 4.052 -11.496 6.180 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.560 -12.547 4.824 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.513 -11.261 6.014 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.902 -13.884 5.590 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.826 -12.884 4.586 1.00 0.41 H new ATOM 0 HG23 ILE A 20 4.357 -13.494 3.915 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.185 -13.378 7.038 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.625 -12.833 7.697 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.673 -14.139 6.489 1.00 0.86 H new ATOM 332 N GLU A 21 4.626 -11.823 2.039 1.00 0.32 N ATOM 333 CA GLU A 21 5.230 -12.307 0.805 1.00 0.33 C ATOM 334 C GLU A 21 5.623 -11.134 -0.085 1.00 0.29 C ATOM 335 O GLU A 21 6.579 -11.215 -0.852 1.00 0.29 O ATOM 336 CB GLU A 21 4.237 -13.203 0.063 1.00 0.39 C ATOM 337 CG GLU A 21 3.003 -12.452 -0.415 1.00 0.50 C ATOM 338 CD GLU A 21 1.961 -13.347 -1.038 1.00 0.99 C ATOM 339 OE1 GLU A 21 1.510 -14.292 -0.365 1.00 1.49 O ATOM 340 OE2 GLU A 21 1.589 -13.109 -2.206 1.00 1.73 O ATOM 0 H GLU A 21 3.623 -11.998 2.108 1.00 0.32 H new ATOM 0 HA GLU A 21 6.124 -12.880 1.051 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.735 -13.656 -0.794 1.00 0.39 H new ATOM 0 HB3 GLU A 21 3.929 -14.017 0.720 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.559 -11.923 0.428 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.305 -11.698 -1.142 1.00 0.50 H new ATOM 347 N LEU A 22 4.919 -10.020 0.076 1.00 0.26 N ATOM 348 CA LEU A 22 5.115 -8.881 -0.792 1.00 0.24 C ATOM 349 C LEU A 22 6.326 -8.091 -0.336 1.00 0.21 C ATOM 350 O LEU A 22 7.215 -7.784 -1.131 1.00 0.22 O ATOM 351 CB LEU A 22 3.869 -7.997 -0.821 1.00 0.24 C ATOM 352 CG LEU A 22 2.715 -8.518 -1.677 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.751 -7.396 -2.018 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.234 -9.193 -2.938 1.00 0.44 C ATOM 0 H LEU A 22 4.211 -9.888 0.799 1.00 0.26 H new ATOM 0 HA LEU A 22 5.290 -9.239 -1.806 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.512 -7.868 0.201 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.153 -7.010 -1.186 1.00 0.24 H new ATOM 0 HG LEU A 22 2.173 -9.266 -1.097 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.937 -7.788 -2.628 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.345 -6.973 -1.099 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.278 -6.619 -2.572 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.393 -9.555 -3.529 1.00 0.44 H new ATOM 0 HD22 LEU A 22 3.808 -8.476 -3.525 1.00 0.44 H new ATOM 0 HD23 LEU A 22 3.873 -10.033 -2.665 1.00 0.44 H new ATOM 366 N ARG A 23 6.397 -7.826 0.964 1.00 0.20 N ATOM 367 CA ARG A 23 7.534 -7.117 1.522 1.00 0.19 C ATOM 368 C ARG A 23 8.776 -7.973 1.307 1.00 0.19 C ATOM 369 O ARG A 23 9.860 -7.467 1.038 1.00 0.20 O ATOM 370 CB ARG A 23 7.333 -6.853 3.018 1.00 0.22 C ATOM 371 CG ARG A 23 7.255 -8.126 3.837 1.00 0.32 C ATOM 372 CD ARG A 23 7.815 -7.922 5.229 1.00 0.63 C ATOM 373 NE ARG A 23 8.138 -9.192 5.880 1.00 0.95 N ATOM 374 CZ ARG A 23 8.002 -9.423 7.186 1.00 1.24 C ATOM 375 NH1 ARG A 23 7.512 -8.489 7.987 1.00 1.52 N ATOM 376 NH2 ARG A 23 8.369 -10.594 7.687 1.00 1.92 N ATOM 0 H ARG A 23 5.684 -8.091 1.644 1.00 0.20 H new ATOM 0 HA ARG A 23 7.643 -6.152 1.027 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.155 -6.239 3.387 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.418 -6.279 3.161 1.00 0.22 H new ATOM 0 HG2 ARG A 23 6.218 -8.454 3.905 1.00 0.32 H new ATOM 0 HG3 ARG A 23 7.808 -8.919 3.333 1.00 0.32 H new ATOM 0 HD2 ARG A 23 8.712 -7.305 5.172 1.00 0.63 H new ATOM 0 HD3 ARG A 23 7.091 -7.377 5.835 1.00 0.63 H new ATOM 0 HE ARG A 23 8.490 -9.951 5.296 1.00 0.95 H new ATOM 0 HH11 ARG A 23 7.235 -7.584 7.606 1.00 1.52 H new ATOM 0 HH12 ARG A 23 7.411 -8.674 8.985 1.00 1.52 H new ATOM 0 HH21 ARG A 23 8.753 -11.313 7.074 1.00 1.92 H new ATOM 0 HH22 ARG A 23 8.267 -10.776 8.685 1.00 1.92 H new ATOM 390 N ARG A 24 8.573 -9.285 1.410 1.00 0.21 N ATOM 391 CA ARG A 24 9.608 -10.267 1.156 1.00 0.23 C ATOM 392 C ARG A 24 10.092 -10.186 -0.288 1.00 0.23 C ATOM 393 O ARG A 24 11.283 -10.334 -0.557 1.00 0.23 O ATOM 394 CB ARG A 24 9.059 -11.651 1.495 1.00 0.29 C ATOM 395 CG ARG A 24 9.945 -12.804 1.082 1.00 0.38 C ATOM 396 CD ARG A 24 9.544 -13.347 -0.281 1.00 0.90 C ATOM 397 NE ARG A 24 10.260 -14.571 -0.628 1.00 1.56 N ATOM 398 CZ ARG A 24 10.025 -15.269 -1.736 1.00 2.17 C ATOM 399 NH1 ARG A 24 9.113 -14.842 -2.599 1.00 2.19 N ATOM 400 NH2 ARG A 24 10.695 -16.385 -1.981 1.00 2.94 N ATOM 0 H ARG A 24 7.676 -9.693 1.675 1.00 0.21 H new ATOM 0 HA ARG A 24 10.475 -10.066 1.786 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.892 -11.707 2.571 1.00 0.29 H new ATOM 0 HB3 ARG A 24 8.087 -11.768 1.015 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.984 -12.475 1.054 1.00 0.38 H new ATOM 0 HG3 ARG A 24 9.882 -13.599 1.826 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.472 -13.542 -0.290 1.00 0.90 H new ATOM 0 HD3 ARG A 24 9.736 -12.590 -1.041 1.00 0.90 H new ATOM 0 HE ARG A 24 10.978 -14.909 0.013 1.00 1.56 H new ATOM 0 HH11 ARG A 24 8.596 -13.983 -2.412 1.00 2.19 H new ATOM 0 HH12 ARG A 24 8.928 -15.373 -3.450 1.00 2.19 H new ATOM 0 HH21 ARG A 24 11.397 -16.715 -1.318 1.00 2.94 H new ATOM 0 HH22 ARG A 24 10.509 -16.915 -2.833 1.00 2.94 H new ATOM 414 N THR A 25 9.172 -9.928 -1.214 1.00 0.24 N ATOM 415 CA THR A 25 9.533 -9.730 -2.617 1.00 0.26 C ATOM 416 C THR A 25 10.416 -8.494 -2.774 1.00 0.23 C ATOM 417 O THR A 25 11.331 -8.461 -3.597 1.00 0.24 O ATOM 418 CB THR A 25 8.276 -9.565 -3.502 1.00 0.29 C ATOM 419 OG1 THR A 25 7.498 -10.770 -3.478 1.00 0.34 O ATOM 420 CG2 THR A 25 8.650 -9.227 -4.941 1.00 0.33 C ATOM 0 H THR A 25 8.174 -9.851 -1.020 1.00 0.24 H new ATOM 0 HA THR A 25 10.080 -10.616 -2.940 1.00 0.26 H new ATOM 0 HB THR A 25 7.689 -8.740 -3.098 1.00 0.29 H new ATOM 0 HG1 THR A 25 7.176 -10.933 -2.567 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.744 -9.118 -5.536 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.212 -8.293 -4.961 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.262 -10.028 -5.356 1.00 0.33 H new ATOM 428 N LEU A 26 10.150 -7.489 -1.958 1.00 0.20 N ATOM 429 CA LEU A 26 10.871 -6.228 -2.052 1.00 0.20 C ATOM 430 C LEU A 26 12.132 -6.291 -1.203 1.00 0.20 C ATOM 431 O LEU A 26 12.988 -5.406 -1.264 1.00 0.22 O ATOM 432 CB LEU A 26 9.991 -5.074 -1.568 1.00 0.20 C ATOM 433 CG LEU A 26 8.486 -5.262 -1.756 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.729 -4.071 -1.207 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.132 -5.512 -3.219 1.00 0.26 C ATOM 0 H LEU A 26 9.442 -7.519 -1.224 1.00 0.20 H new ATOM 0 HA LEU A 26 11.139 -6.058 -3.095 1.00 0.20 H new ATOM 0 HB2 LEU A 26 10.188 -4.911 -0.508 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.293 -4.167 -2.092 1.00 0.20 H new ATOM 0 HG LEU A 26 8.186 -6.147 -1.194 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.659 -4.223 -1.350 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.942 -3.964 -0.143 1.00 0.22 H new ATOM 0 HD13 LEU A 26 8.041 -3.168 -1.732 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.054 -5.641 -3.316 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.451 -4.661 -3.821 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.638 -6.413 -3.567 1.00 0.26 H new ATOM 447 N GLY A 27 12.235 -7.359 -0.418 1.00 0.20 N ATOM 448 CA GLY A 27 13.306 -7.493 0.550 1.00 0.23 C ATOM 449 C GLY A 27 13.272 -6.400 1.599 1.00 0.24 C ATOM 450 O GLY A 27 14.303 -6.037 2.170 1.00 0.28 O ATOM 0 H GLY A 27 11.585 -8.144 -0.438 1.00 0.20 H new ATOM 0 HA2 GLY A 27 13.232 -8.465 1.038 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.265 -7.468 0.033 1.00 0.23 H new ATOM 454 N ILE A 28 12.085 -5.856 1.827 1.00 0.24 N ATOM 455 CA ILE A 28 11.889 -4.816 2.818 1.00 0.25 C ATOM 456 C ILE A 28 11.052 -5.317 3.985 1.00 0.22 C ATOM 457 O ILE A 28 10.456 -6.393 3.916 1.00 0.22 O ATOM 458 CB ILE A 28 11.206 -3.586 2.187 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.785 -3.917 1.706 1.00 0.32 C ATOM 460 CG2 ILE A 28 12.038 -3.089 1.022 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.699 -3.578 2.705 1.00 0.43 C ATOM 0 H ILE A 28 11.235 -6.124 1.330 1.00 0.24 H new ATOM 0 HA ILE A 28 12.873 -4.531 3.191 1.00 0.25 H new ATOM 0 HB ILE A 28 11.130 -2.810 2.949 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.592 -3.377 0.779 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.730 -4.980 1.473 1.00 0.32 H new ATOM 0 HG21 ILE A 28 11.556 -2.219 0.575 1.00 0.37 H new ATOM 0 HG22 ILE A 28 13.031 -2.811 1.376 1.00 0.37 H new ATOM 0 HG23 ILE A 28 12.127 -3.878 0.275 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.727 -3.842 2.289 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.864 -4.138 3.626 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.723 -2.510 2.920 1.00 0.43 H new ATOM 473 N ALA A 29 10.998 -4.509 5.036 1.00 0.22 N ATOM 474 CA ALA A 29 10.215 -4.811 6.229 1.00 0.23 C ATOM 475 C ALA A 29 10.366 -3.704 7.245 1.00 0.23 C ATOM 476 O ALA A 29 11.338 -2.956 7.206 1.00 0.26 O ATOM 477 CB ALA A 29 10.641 -6.138 6.848 1.00 0.25 C ATOM 0 H ALA A 29 11.498 -3.621 5.086 1.00 0.22 H new ATOM 0 HA ALA A 29 9.169 -4.891 5.931 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.039 -6.335 7.735 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.495 -6.940 6.125 1.00 0.25 H new ATOM 0 HB3 ALA A 29 11.693 -6.088 7.127 1.00 0.25 H new ATOM 483 N GLU A 30 9.378 -3.618 8.133 1.00 0.25 N ATOM 484 CA GLU A 30 9.369 -2.709 9.278 1.00 0.28 C ATOM 485 C GLU A 30 10.027 -1.344 9.039 1.00 0.30 C ATOM 486 O GLU A 30 9.371 -0.393 8.622 1.00 0.32 O ATOM 487 CB GLU A 30 9.979 -3.401 10.497 1.00 0.32 C ATOM 488 CG GLU A 30 11.141 -4.330 10.185 1.00 0.35 C ATOM 489 CD GLU A 30 11.747 -4.927 11.432 1.00 0.49 C ATOM 490 OE1 GLU A 30 11.151 -5.866 11.996 1.00 1.22 O ATOM 491 OE2 GLU A 30 12.810 -4.443 11.866 1.00 1.10 O ATOM 0 H GLU A 30 8.538 -4.194 8.075 1.00 0.25 H new ATOM 0 HA GLU A 30 8.319 -2.477 9.456 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.319 -2.639 11.198 1.00 0.32 H new ATOM 0 HB3 GLU A 30 9.200 -3.973 11.001 1.00 0.32 H new ATOM 0 HG2 GLU A 30 10.797 -5.131 9.531 1.00 0.35 H new ATOM 0 HG3 GLU A 30 11.907 -3.780 9.639 1.00 0.35 H new ATOM 498 N LYS A 31 11.317 -1.262 9.309 1.00 0.32 N ATOM 499 CA LYS A 31 12.042 0.001 9.292 1.00 0.38 C ATOM 500 C LYS A 31 12.330 0.501 7.879 1.00 0.35 C ATOM 501 O LYS A 31 12.847 1.605 7.713 1.00 0.40 O ATOM 502 CB LYS A 31 13.353 -0.159 10.040 1.00 0.47 C ATOM 503 CG LYS A 31 13.186 -0.626 11.475 1.00 0.57 C ATOM 504 CD LYS A 31 12.458 0.416 12.299 1.00 0.67 C ATOM 505 CE LYS A 31 10.998 0.058 12.505 1.00 0.67 C ATOM 506 NZ LYS A 31 10.293 1.086 13.314 1.00 0.85 N ATOM 0 H LYS A 31 11.895 -2.068 9.547 1.00 0.32 H new ATOM 0 HA LYS A 31 11.405 0.742 9.776 1.00 0.38 H new ATOM 0 HB2 LYS A 31 13.981 -0.873 9.506 1.00 0.47 H new ATOM 0 HB3 LYS A 31 13.881 0.795 10.037 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.631 -1.564 11.495 1.00 0.57 H new ATOM 0 HG3 LYS A 31 14.164 -0.825 11.914 1.00 0.57 H new ATOM 0 HD2 LYS A 31 12.947 0.518 13.268 1.00 0.67 H new ATOM 0 HD3 LYS A 31 12.528 1.384 11.803 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.507 -0.044 11.537 1.00 0.67 H new ATOM 0 HE3 LYS A 31 10.926 -0.909 13.002 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 9.298 0.810 13.435 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 10.747 1.165 14.247 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 10.341 2.004 12.827 1.00 0.85 H new ATOM 520 N ASP A 32 11.988 -0.281 6.865 1.00 0.27 N ATOM 521 CA ASP A 32 12.388 0.055 5.503 1.00 0.24 C ATOM 522 C ASP A 32 11.404 1.009 4.857 1.00 0.22 C ATOM 523 O ASP A 32 10.437 1.446 5.487 1.00 0.23 O ATOM 524 CB ASP A 32 12.542 -1.186 4.636 1.00 0.23 C ATOM 525 CG ASP A 32 13.907 -1.246 3.985 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.848 -1.761 4.620 1.00 0.94 O ATOM 527 OD2 ASP A 32 14.050 -0.764 2.841 1.00 1.54 O ATOM 0 H ASP A 32 11.444 -1.139 6.954 1.00 0.27 H new ATOM 0 HA ASP A 32 13.358 0.546 5.577 1.00 0.24 H new ATOM 0 HB2 ASP A 32 12.389 -2.077 5.245 1.00 0.23 H new ATOM 0 HB3 ASP A 32 11.771 -1.190 3.866 1.00 0.23 H new ATOM 532 N ALA A 33 11.669 1.344 3.609 1.00 0.21 N ATOM 533 CA ALA A 33 10.877 2.334 2.906 1.00 0.20 C ATOM 534 C ALA A 33 10.327 1.820 1.584 1.00 0.20 C ATOM 535 O ALA A 33 10.903 0.940 0.941 1.00 0.21 O ATOM 536 CB ALA A 33 11.714 3.576 2.672 1.00 0.23 C ATOM 0 H ALA A 33 12.429 0.943 3.060 1.00 0.21 H new ATOM 0 HA ALA A 33 10.018 2.569 3.534 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.119 4.321 2.143 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.037 3.983 3.630 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.588 3.318 2.074 1.00 0.23 H new ATOM 542 N LEU A 34 9.203 2.396 1.198 1.00 0.20 N ATOM 543 CA LEU A 34 8.573 2.125 -0.073 1.00 0.20 C ATOM 544 C LEU A 34 8.318 3.450 -0.756 1.00 0.20 C ATOM 545 O LEU A 34 8.229 4.487 -0.099 1.00 0.22 O ATOM 546 CB LEU A 34 7.242 1.387 0.103 1.00 0.23 C ATOM 547 CG LEU A 34 7.329 -0.083 0.521 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.662 -0.214 2.000 1.00 1.15 C ATOM 549 CD2 LEU A 34 6.025 -0.794 0.197 1.00 0.67 C ATOM 0 H LEU A 34 8.698 3.074 1.769 1.00 0.20 H new ATOM 0 HA LEU A 34 9.230 1.489 -0.667 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.652 1.920 0.849 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.693 1.443 -0.837 1.00 0.23 H new ATOM 0 HG LEU A 34 8.135 -0.554 -0.042 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.717 -1.269 2.268 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.622 0.262 2.200 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.886 0.271 2.592 1.00 1.15 H new ATOM 0 HD21 LEU A 34 6.096 -1.839 0.498 1.00 0.67 H new ATOM 0 HD22 LEU A 34 5.207 -0.316 0.736 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.836 -0.737 -0.875 1.00 0.67 H new ATOM 561 N GLU A 35 8.200 3.409 -2.053 1.00 0.19 N ATOM 562 CA GLU A 35 7.928 4.584 -2.837 1.00 0.21 C ATOM 563 C GLU A 35 6.479 4.547 -3.305 1.00 0.20 C ATOM 564 O GLU A 35 6.107 3.739 -4.162 1.00 0.21 O ATOM 565 CB GLU A 35 8.868 4.657 -4.030 1.00 0.25 C ATOM 566 CG GLU A 35 9.039 6.066 -4.543 1.00 0.59 C ATOM 567 CD GLU A 35 9.998 6.154 -5.708 1.00 0.56 C ATOM 568 OE1 GLU A 35 9.580 5.880 -6.854 1.00 1.19 O ATOM 569 OE2 GLU A 35 11.176 6.501 -5.484 1.00 1.28 O ATOM 0 H GLU A 35 8.290 2.554 -2.602 1.00 0.19 H new ATOM 0 HA GLU A 35 8.089 5.472 -2.225 1.00 0.21 H new ATOM 0 HB2 GLU A 35 9.841 4.256 -3.747 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.483 4.026 -4.831 1.00 0.25 H new ATOM 0 HG2 GLU A 35 8.068 6.457 -4.847 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.399 6.701 -3.734 1.00 0.59 H new ATOM 576 N ILE A 36 5.666 5.399 -2.712 1.00 0.21 N ATOM 577 CA ILE A 36 4.244 5.424 -2.978 1.00 0.23 C ATOM 578 C ILE A 36 3.906 6.421 -4.086 1.00 0.25 C ATOM 579 O ILE A 36 4.220 7.609 -3.997 1.00 0.27 O ATOM 580 CB ILE A 36 3.442 5.780 -1.697 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.361 4.590 -0.737 1.00 0.25 C ATOM 582 CG2 ILE A 36 2.038 6.267 -2.038 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.696 4.165 -0.174 1.00 0.25 C ATOM 0 H ILE A 36 5.975 6.094 -2.032 1.00 0.21 H new ATOM 0 HA ILE A 36 3.960 4.424 -3.306 1.00 0.23 H new ATOM 0 HB ILE A 36 3.980 6.588 -1.201 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.695 4.846 0.087 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.912 3.745 -1.259 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.503 6.508 -1.119 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.104 7.157 -2.664 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.502 5.485 -2.575 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.555 3.317 0.496 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.359 3.876 -0.989 1.00 0.25 H new ATOM 0 HD13 ILE A 36 5.139 4.994 0.378 1.00 0.25 H new ATOM 595 N TYR A 37 3.273 5.915 -5.120 1.00 0.25 N ATOM 596 CA TYR A 37 2.788 6.713 -6.226 1.00 0.24 C ATOM 597 C TYR A 37 1.293 6.459 -6.397 1.00 0.19 C ATOM 598 O TYR A 37 0.775 5.454 -5.914 1.00 0.22 O ATOM 599 CB TYR A 37 3.610 6.385 -7.487 1.00 0.31 C ATOM 600 CG TYR A 37 2.885 6.472 -8.819 1.00 1.10 C ATOM 601 CD1 TYR A 37 2.747 7.681 -9.484 1.00 2.03 C ATOM 602 CD2 TYR A 37 2.368 5.333 -9.421 1.00 1.91 C ATOM 603 CE1 TYR A 37 2.106 7.755 -10.709 1.00 2.97 C ATOM 604 CE2 TYR A 37 1.730 5.395 -10.646 1.00 2.86 C ATOM 605 CZ TYR A 37 1.600 6.609 -11.286 1.00 3.23 C ATOM 606 OH TYR A 37 0.964 6.676 -12.508 1.00 4.30 O ATOM 0 H TYR A 37 3.077 4.919 -5.219 1.00 0.25 H new ATOM 0 HA TYR A 37 2.915 7.779 -6.035 1.00 0.24 H new ATOM 0 HB2 TYR A 37 4.465 7.061 -7.521 1.00 0.31 H new ATOM 0 HB3 TYR A 37 4.006 5.375 -7.381 1.00 0.31 H new ATOM 0 HD1 TYR A 37 3.146 8.580 -9.039 1.00 2.03 H new ATOM 0 HD2 TYR A 37 2.466 4.380 -8.923 1.00 1.91 H new ATOM 0 HE1 TYR A 37 2.003 8.706 -11.211 1.00 2.97 H new ATOM 0 HE2 TYR A 37 1.336 4.497 -11.099 1.00 2.86 H new ATOM 0 HH TYR A 37 0.238 6.019 -12.535 1.00 4.30 H new ATOM 616 N VAL A 38 0.597 7.363 -7.058 1.00 0.21 N ATOM 617 CA VAL A 38 -0.846 7.254 -7.168 1.00 0.19 C ATOM 618 C VAL A 38 -1.258 7.059 -8.623 1.00 0.20 C ATOM 619 O VAL A 38 -0.734 7.720 -9.519 1.00 0.25 O ATOM 620 CB VAL A 38 -1.569 8.479 -6.561 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.357 9.734 -7.397 1.00 0.26 C ATOM 622 CG2 VAL A 38 -3.045 8.167 -6.399 1.00 0.18 C ATOM 0 H VAL A 38 1.002 8.175 -7.524 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.150 6.379 -6.593 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.139 8.683 -5.580 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.881 10.571 -6.936 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.292 9.959 -7.452 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.746 9.572 -8.402 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.555 9.030 -5.971 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.477 7.936 -7.373 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.165 7.310 -5.737 1.00 0.18 H new ATOM 632 N ASP A 39 -2.177 6.136 -8.865 1.00 0.20 N ATOM 633 CA ASP A 39 -2.583 5.827 -10.223 1.00 0.24 C ATOM 634 C ASP A 39 -4.100 5.777 -10.313 1.00 0.26 C ATOM 635 O ASP A 39 -4.719 4.757 -9.985 1.00 0.30 O ATOM 636 CB ASP A 39 -1.969 4.502 -10.678 1.00 0.27 C ATOM 637 CG ASP A 39 -1.943 4.361 -12.187 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.037 4.938 -12.827 1.00 1.07 O ATOM 639 OD2 ASP A 39 -2.811 3.655 -12.734 1.00 1.15 O ATOM 0 H ASP A 39 -2.651 5.593 -8.143 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.221 6.612 -10.886 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -0.953 4.425 -10.292 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.537 3.676 -10.249 1.00 0.27 H new ATOM 644 N ASP A 40 -4.679 6.901 -10.730 1.00 0.32 N ATOM 645 CA ASP A 40 -6.133 7.087 -10.785 1.00 0.39 C ATOM 646 C ASP A 40 -6.734 7.045 -9.393 1.00 0.34 C ATOM 647 O ASP A 40 -6.727 8.035 -8.663 1.00 0.41 O ATOM 648 CB ASP A 40 -6.830 6.028 -11.649 1.00 0.54 C ATOM 649 CG ASP A 40 -6.391 6.057 -13.089 1.00 0.97 C ATOM 650 OD1 ASP A 40 -6.901 6.892 -13.858 1.00 1.41 O ATOM 651 OD2 ASP A 40 -5.522 5.243 -13.458 1.00 1.83 O ATOM 0 H ASP A 40 -4.151 7.716 -11.042 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.296 8.065 -11.239 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -6.629 5.040 -11.234 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -7.908 6.181 -11.601 1.00 0.54 H new ATOM 656 N GLU A 41 -7.244 5.879 -9.038 1.00 0.38 N ATOM 657 CA GLU A 41 -7.892 5.674 -7.759 1.00 0.49 C ATOM 658 C GLU A 41 -7.217 4.527 -7.027 1.00 0.42 C ATOM 659 O GLU A 41 -7.715 4.026 -6.020 1.00 0.64 O ATOM 660 CB GLU A 41 -9.367 5.358 -7.986 1.00 0.71 C ATOM 661 CG GLU A 41 -10.030 6.288 -8.987 1.00 1.19 C ATOM 662 CD GLU A 41 -11.423 5.838 -9.358 1.00 1.86 C ATOM 663 OE1 GLU A 41 -11.547 4.885 -10.159 1.00 2.28 O ATOM 664 OE2 GLU A 41 -12.402 6.427 -8.852 1.00 2.54 O ATOM 0 H GLU A 41 -7.220 5.049 -9.630 1.00 0.38 H new ATOM 0 HA GLU A 41 -7.809 6.577 -7.154 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -9.462 4.330 -8.336 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -9.896 5.421 -7.035 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.076 7.294 -8.569 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -9.418 6.344 -9.887 1.00 1.19 H new ATOM 671 N LYS A 42 -6.079 4.106 -7.558 1.00 0.26 N ATOM 672 CA LYS A 42 -5.313 3.030 -6.961 1.00 0.26 C ATOM 673 C LYS A 42 -4.025 3.580 -6.392 1.00 0.18 C ATOM 674 O LYS A 42 -3.537 4.623 -6.833 1.00 0.18 O ATOM 675 CB LYS A 42 -4.971 1.959 -7.991 1.00 0.39 C ATOM 676 CG LYS A 42 -6.095 1.639 -8.956 1.00 0.78 C ATOM 677 CD LYS A 42 -5.687 0.544 -9.924 1.00 0.87 C ATOM 678 CE LYS A 42 -4.387 0.876 -10.645 1.00 0.55 C ATOM 679 NZ LYS A 42 -4.473 2.162 -11.394 1.00 0.81 N ATOM 0 H LYS A 42 -5.667 4.497 -8.405 1.00 0.26 H new ATOM 0 HA LYS A 42 -5.920 2.583 -6.174 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.101 2.284 -8.561 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -4.686 1.046 -7.468 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.979 1.326 -8.400 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -6.369 2.536 -9.511 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -5.572 -0.395 -9.382 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -6.480 0.394 -10.657 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.575 0.933 -9.920 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.141 0.070 -11.336 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -3.567 2.348 -11.869 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -5.230 2.100 -12.104 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -4.682 2.936 -10.732 1.00 0.81 H new ATOM 693 N ILE A 43 -3.467 2.873 -5.434 1.00 0.16 N ATOM 694 CA ILE A 43 -2.216 3.276 -4.837 1.00 0.15 C ATOM 695 C ILE A 43 -1.113 2.308 -5.245 1.00 0.16 C ATOM 696 O ILE A 43 -1.294 1.089 -5.203 1.00 0.21 O ATOM 697 CB ILE A 43 -2.336 3.342 -3.312 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.532 4.221 -2.935 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.051 3.886 -2.711 1.00 0.26 C ATOM 700 CD1 ILE A 43 -3.985 4.056 -1.507 1.00 0.34 C ATOM 0 H ILE A 43 -3.862 2.014 -5.052 1.00 0.16 H new ATOM 0 HA ILE A 43 -1.963 4.273 -5.197 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.497 2.341 -2.913 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.271 5.265 -3.105 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.365 3.989 -3.599 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.146 3.929 -1.626 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.220 3.233 -2.977 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -0.863 4.887 -3.099 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -4.835 4.711 -1.317 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.279 3.021 -1.336 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -3.168 4.317 -0.834 1.00 0.34 H new ATOM 712 N ILE A 44 0.017 2.859 -5.653 1.00 0.14 N ATOM 713 CA ILE A 44 1.113 2.071 -6.199 1.00 0.16 C ATOM 714 C ILE A 44 2.330 2.216 -5.308 1.00 0.17 C ATOM 715 O ILE A 44 2.905 3.291 -5.224 1.00 0.20 O ATOM 716 CB ILE A 44 1.500 2.541 -7.621 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.253 2.798 -8.479 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.411 1.516 -8.289 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.637 1.590 -8.658 1.00 0.18 C ATOM 0 H ILE A 44 0.202 3.861 -5.616 1.00 0.14 H new ATOM 0 HA ILE A 44 0.781 1.034 -6.247 1.00 0.16 H new ATOM 0 HB ILE A 44 2.042 3.483 -7.531 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.329 3.599 -8.023 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.568 3.152 -9.461 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.675 1.861 -9.289 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.318 1.394 -7.696 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.892 0.560 -8.360 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.494 1.858 -9.276 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.075 0.792 -9.143 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -0.985 1.247 -7.684 1.00 0.18 H new ATOM 731 N LEU A 45 2.734 1.157 -4.642 1.00 0.18 N ATOM 732 CA LEU A 45 3.865 1.249 -3.739 1.00 0.18 C ATOM 733 C LEU A 45 4.943 0.274 -4.176 1.00 0.20 C ATOM 734 O LEU A 45 4.782 -0.940 -4.067 1.00 0.33 O ATOM 735 CB LEU A 45 3.465 0.965 -2.284 1.00 0.36 C ATOM 736 CG LEU A 45 1.985 1.181 -1.942 1.00 0.32 C ATOM 737 CD1 LEU A 45 1.159 -0.028 -2.350 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.808 1.471 -0.462 1.00 1.10 C ATOM 0 H LEU A 45 2.305 0.234 -4.705 1.00 0.18 H new ATOM 0 HA LEU A 45 4.244 2.270 -3.781 1.00 0.18 H new ATOM 0 HB2 LEU A 45 3.725 -0.068 -2.051 1.00 0.36 H new ATOM 0 HB3 LEU A 45 4.065 1.600 -1.632 1.00 0.36 H new ATOM 0 HG LEU A 45 1.631 2.046 -2.503 1.00 0.32 H new ATOM 0 HD11 LEU A 45 0.112 0.145 -2.099 1.00 1.30 H new ATOM 0 HD12 LEU A 45 1.253 -0.187 -3.424 1.00 1.30 H new ATOM 0 HD13 LEU A 45 1.518 -0.910 -1.820 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.750 1.620 -0.244 1.00 1.10 H new ATOM 0 HD22 LEU A 45 2.183 0.630 0.121 1.00 1.10 H new ATOM 0 HD23 LEU A 45 2.363 2.371 -0.199 1.00 1.10 H new ATOM 750 N LYS A 46 6.023 0.810 -4.695 1.00 0.19 N ATOM 751 CA LYS A 46 7.166 0.011 -5.084 1.00 0.29 C ATOM 752 C LYS A 46 8.266 0.249 -4.078 1.00 0.32 C ATOM 753 O LYS A 46 8.415 1.365 -3.621 1.00 0.54 O ATOM 754 CB LYS A 46 7.631 0.410 -6.486 1.00 0.38 C ATOM 755 CG LYS A 46 8.902 -0.282 -6.935 1.00 0.85 C ATOM 756 CD LYS A 46 9.393 0.302 -8.241 1.00 1.00 C ATOM 757 CE LYS A 46 9.853 1.736 -8.047 1.00 1.15 C ATOM 758 NZ LYS A 46 10.385 2.332 -9.301 1.00 1.41 N ATOM 0 H LYS A 46 6.136 1.810 -4.860 1.00 0.19 H new ATOM 0 HA LYS A 46 6.901 -1.046 -5.104 1.00 0.29 H new ATOM 0 HB2 LYS A 46 6.837 0.186 -7.198 1.00 0.38 H new ATOM 0 HB3 LYS A 46 7.788 1.488 -6.512 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.671 -0.174 -6.170 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.719 -1.350 -7.054 1.00 0.85 H new ATOM 0 HD2 LYS A 46 10.215 -0.300 -8.628 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.596 0.268 -8.983 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.018 2.337 -7.687 1.00 1.15 H new ATOM 0 HE3 LYS A 46 10.624 1.767 -7.277 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 10.686 3.311 -9.120 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 11.198 1.775 -9.632 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 9.643 2.328 -10.029 1.00 1.41 H new ATOM 772 N LYS A 47 9.009 -0.788 -3.713 1.00 0.27 N ATOM 773 CA LYS A 47 10.097 -0.634 -2.747 1.00 0.28 C ATOM 774 C LYS A 47 10.967 0.562 -3.114 1.00 0.29 C ATOM 775 O LYS A 47 11.244 0.799 -4.293 1.00 0.34 O ATOM 776 CB LYS A 47 10.976 -1.885 -2.700 1.00 0.39 C ATOM 777 CG LYS A 47 11.764 -2.118 -3.978 1.00 1.26 C ATOM 778 CD LYS A 47 12.832 -3.162 -3.775 1.00 1.27 C ATOM 779 CE LYS A 47 13.880 -2.689 -2.783 1.00 2.37 C ATOM 780 NZ LYS A 47 15.016 -3.639 -2.690 1.00 2.68 N ATOM 0 H LYS A 47 8.883 -1.737 -4.065 1.00 0.27 H new ATOM 0 HA LYS A 47 9.645 -0.478 -1.768 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.671 -1.801 -1.864 1.00 0.39 H new ATOM 0 HB3 LYS A 47 10.348 -2.754 -2.506 1.00 0.39 H new ATOM 0 HG2 LYS A 47 11.088 -2.434 -4.773 1.00 1.26 H new ATOM 0 HG3 LYS A 47 12.222 -1.183 -4.302 1.00 1.26 H new ATOM 0 HD2 LYS A 47 12.378 -4.086 -3.416 1.00 1.27 H new ATOM 0 HD3 LYS A 47 13.307 -3.390 -4.729 1.00 1.27 H new ATOM 0 HE2 LYS A 47 14.249 -1.708 -3.084 1.00 2.37 H new ATOM 0 HE3 LYS A 47 13.424 -2.570 -1.800 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 15.798 -3.195 -2.167 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 14.710 -4.499 -2.191 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 15.338 -3.890 -3.647 1.00 2.68 H new ATOM 794 N TYR A 48 11.375 1.322 -2.119 1.00 0.32 N ATOM 795 CA TYR A 48 12.241 2.443 -2.374 1.00 0.41 C ATOM 796 C TYR A 48 13.613 1.925 -2.768 1.00 0.53 C ATOM 797 O TYR A 48 14.118 0.977 -2.164 1.00 0.60 O ATOM 798 CB TYR A 48 12.332 3.355 -1.152 1.00 0.48 C ATOM 799 CG TYR A 48 13.035 4.661 -1.437 1.00 1.10 C ATOM 800 CD1 TYR A 48 12.389 5.676 -2.133 1.00 2.02 C ATOM 801 CD2 TYR A 48 14.345 4.875 -1.030 1.00 1.68 C ATOM 802 CE1 TYR A 48 13.028 6.867 -2.411 1.00 2.71 C ATOM 803 CE2 TYR A 48 14.992 6.064 -1.307 1.00 2.40 C ATOM 804 CZ TYR A 48 14.328 7.055 -1.997 1.00 2.72 C ATOM 805 OH TYR A 48 14.971 8.239 -2.286 1.00 3.55 O ATOM 0 H TYR A 48 11.123 1.183 -1.140 1.00 0.32 H new ATOM 0 HA TYR A 48 11.830 3.038 -3.190 1.00 0.41 H new ATOM 0 HB2 TYR A 48 11.327 3.563 -0.786 1.00 0.48 H new ATOM 0 HB3 TYR A 48 12.860 2.832 -0.354 1.00 0.48 H new ATOM 0 HD1 TYR A 48 11.371 5.530 -2.461 1.00 2.02 H new ATOM 0 HD2 TYR A 48 14.867 4.100 -0.488 1.00 1.68 H new ATOM 0 HE1 TYR A 48 12.512 7.647 -2.950 1.00 2.71 H new ATOM 0 HE2 TYR A 48 16.012 6.216 -0.985 1.00 2.40 H new ATOM 0 HH TYR A 48 15.881 8.214 -1.924 1.00 3.55 H new ATOM 939 N SER B 3 1.838 12.504 -2.949 1.00 0.46 N ATOM 940 CA SER B 3 1.902 11.169 -3.508 1.00 0.38 C ATOM 941 C SER B 3 2.807 11.178 -4.727 1.00 0.36 C ATOM 942 O SER B 3 3.558 12.134 -4.938 1.00 0.41 O ATOM 943 CB SER B 3 0.499 10.701 -3.904 1.00 0.41 C ATOM 944 OG SER B 3 -0.342 10.600 -2.769 1.00 0.44 O ATOM 0 HA SER B 3 2.304 10.483 -2.762 1.00 0.38 H new ATOM 0 HB2 SER B 3 0.067 11.400 -4.620 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.562 9.733 -4.402 1.00 0.41 H new ATOM 0 HG SER B 3 -0.722 11.480 -2.564 1.00 0.44 H new ATOM 950 N THR B 4 2.739 10.110 -5.505 1.00 0.35 N ATOM 951 CA THR B 4 3.431 10.028 -6.774 1.00 0.35 C ATOM 952 C THR B 4 4.947 10.057 -6.587 1.00 0.34 C ATOM 953 O THR B 4 5.624 11.024 -6.938 1.00 0.40 O ATOM 954 CB THR B 4 2.976 11.148 -7.728 1.00 0.36 C ATOM 955 OG1 THR B 4 1.543 11.174 -7.773 1.00 0.35 O ATOM 956 CG2 THR B 4 3.517 10.917 -9.129 1.00 0.41 C ATOM 0 H THR B 4 2.201 9.276 -5.271 1.00 0.35 H new ATOM 0 HA THR B 4 3.170 9.071 -7.226 1.00 0.35 H new ATOM 0 HB THR B 4 3.360 12.099 -7.359 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.248 11.886 -8.378 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.183 11.721 -9.785 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.607 10.902 -9.100 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.150 9.963 -9.508 1.00 0.41 H new ATOM 964 N GLY B 5 5.461 9.002 -5.980 1.00 0.30 N ATOM 965 CA GLY B 5 6.885 8.857 -5.837 1.00 0.30 C ATOM 966 C GLY B 5 7.377 9.392 -4.515 1.00 0.29 C ATOM 967 O GLY B 5 8.448 9.998 -4.438 1.00 0.32 O ATOM 0 H GLY B 5 4.911 8.241 -5.583 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.153 7.804 -5.924 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.386 9.382 -6.650 1.00 0.30 H new ATOM 971 N ILE B 6 6.598 9.166 -3.468 1.00 0.28 N ATOM 972 CA ILE B 6 6.976 9.605 -2.136 1.00 0.29 C ATOM 973 C ILE B 6 7.407 8.405 -1.310 1.00 0.25 C ATOM 974 O ILE B 6 6.801 7.340 -1.383 1.00 0.24 O ATOM 975 CB ILE B 6 5.830 10.350 -1.405 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.349 10.943 -0.090 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.648 9.427 -1.134 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.281 12.122 -0.274 1.00 0.52 C ATOM 0 H ILE B 6 5.702 8.682 -3.516 1.00 0.28 H new ATOM 0 HA ILE B 6 7.800 10.309 -2.249 1.00 0.29 H new ATOM 0 HB ILE B 6 5.482 11.154 -2.053 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.499 11.256 0.517 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.870 10.165 0.468 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.863 9.982 -0.620 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.262 9.043 -2.078 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.972 8.595 -0.509 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.605 12.485 0.701 1.00 0.52 H new ATOM 0 HD12 ILE B 6 8.151 11.811 -0.853 1.00 0.52 H new ATOM 0 HD13 ILE B 6 6.759 12.919 -0.803 1.00 0.52 H new ATOM 990 N VAL B 7 8.453 8.569 -0.538 1.00 0.25 N ATOM 991 CA VAL B 7 8.987 7.472 0.239 1.00 0.24 C ATOM 992 C VAL B 7 8.330 7.414 1.622 1.00 0.28 C ATOM 993 O VAL B 7 8.290 8.409 2.347 1.00 0.37 O ATOM 994 CB VAL B 7 10.523 7.590 0.371 1.00 0.25 C ATOM 995 CG1 VAL B 7 10.932 8.925 0.985 1.00 0.31 C ATOM 996 CG2 VAL B 7 11.067 6.437 1.184 1.00 0.30 C ATOM 0 H VAL B 7 8.953 9.451 -0.429 1.00 0.25 H new ATOM 0 HA VAL B 7 8.759 6.544 -0.286 1.00 0.24 H new ATOM 0 HB VAL B 7 10.951 7.547 -0.630 1.00 0.25 H new ATOM 0 HG11 VAL B 7 12.018 8.972 1.062 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.577 9.740 0.354 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.493 9.018 1.978 1.00 0.31 H new ATOM 0 HG21 VAL B 7 12.150 6.531 1.270 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.621 6.451 2.179 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.823 5.496 0.690 1.00 0.30 H new ATOM 1006 N ARG B 8 7.775 6.259 1.964 1.00 0.27 N ATOM 1007 CA ARG B 8 7.140 6.066 3.257 1.00 0.32 C ATOM 1008 C ARG B 8 7.763 4.875 3.982 1.00 0.27 C ATOM 1009 O ARG B 8 8.392 4.022 3.356 1.00 0.26 O ATOM 1010 CB ARG B 8 5.645 5.825 3.072 1.00 0.41 C ATOM 1011 CG ARG B 8 4.773 6.837 3.792 1.00 0.57 C ATOM 1012 CD ARG B 8 4.608 8.125 2.999 1.00 0.57 C ATOM 1013 NE ARG B 8 3.609 9.003 3.615 1.00 0.95 N ATOM 1014 CZ ARG B 8 3.151 10.129 3.067 1.00 0.89 C ATOM 1015 NH1 ARG B 8 3.646 10.570 1.920 1.00 1.74 N ATOM 1016 NH2 ARG B 8 2.205 10.823 3.681 1.00 1.09 N ATOM 0 H ARG B 8 7.753 5.438 1.359 1.00 0.27 H new ATOM 0 HA ARG B 8 7.291 6.964 3.855 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.411 5.848 2.008 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.399 4.826 3.431 1.00 0.41 H new ATOM 0 HG2 ARG B 8 3.792 6.400 3.979 1.00 0.57 H new ATOM 0 HG3 ARG B 8 5.211 7.065 4.764 1.00 0.57 H new ATOM 0 HD2 ARG B 8 5.565 8.644 2.940 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.309 7.890 1.977 1.00 0.57 H new ATOM 0 HE ARG B 8 3.238 8.734 4.526 1.00 0.95 H new ATOM 0 HH11 ARG B 8 4.384 10.047 1.448 1.00 1.74 H new ATOM 0 HH12 ARG B 8 3.289 11.432 1.509 1.00 1.74 H new ATOM 0 HH21 ARG B 8 1.829 10.496 4.571 1.00 1.09 H new ATOM 0 HH22 ARG B 8 1.853 11.685 3.264 1.00 1.09 H new ATOM 1030 N LYS B 9 7.587 4.826 5.295 1.00 0.30 N ATOM 1031 CA LYS B 9 8.099 3.723 6.109 1.00 0.27 C ATOM 1032 C LYS B 9 7.090 2.580 6.162 1.00 0.24 C ATOM 1033 O LYS B 9 5.912 2.770 5.845 1.00 0.26 O ATOM 1034 CB LYS B 9 8.387 4.202 7.535 1.00 0.30 C ATOM 1035 CG LYS B 9 9.435 5.299 7.639 1.00 1.23 C ATOM 1036 CD LYS B 9 10.853 4.745 7.684 1.00 0.97 C ATOM 1037 CE LYS B 9 11.388 4.400 6.306 1.00 0.69 C ATOM 1038 NZ LYS B 9 12.799 3.932 6.374 1.00 0.92 N ATOM 0 H LYS B 9 7.090 5.541 5.826 1.00 0.30 H new ATOM 0 HA LYS B 9 9.022 3.367 5.650 1.00 0.27 H new ATOM 0 HB2 LYS B 9 7.458 4.563 7.977 1.00 0.30 H new ATOM 0 HB3 LYS B 9 8.713 3.350 8.131 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.338 5.972 6.787 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.250 5.890 8.536 1.00 1.23 H new ATOM 0 HD2 LYS B 9 11.511 5.477 8.152 1.00 0.97 H new ATOM 0 HD3 LYS B 9 10.871 3.853 8.311 1.00 0.97 H new ATOM 0 HE2 LYS B 9 10.767 3.625 5.856 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.324 5.275 5.659 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 13.226 3.979 5.427 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 13.335 4.539 7.027 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 12.823 2.950 6.716 1.00 0.92 H new ATOM 1052 N VAL B 10 7.549 1.396 6.564 1.00 0.22 N ATOM 1053 CA VAL B 10 6.660 0.260 6.722 1.00 0.22 C ATOM 1054 C VAL B 10 6.034 0.273 8.122 1.00 0.24 C ATOM 1055 O VAL B 10 5.228 1.151 8.441 1.00 0.39 O ATOM 1056 CB VAL B 10 7.383 -1.094 6.500 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.390 -2.184 6.131 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.480 -0.982 5.454 1.00 0.22 C ATOM 0 H VAL B 10 8.527 1.205 6.784 1.00 0.22 H new ATOM 0 HA VAL B 10 5.887 0.354 5.960 1.00 0.22 H new ATOM 0 HB VAL B 10 7.858 -1.368 7.442 1.00 0.23 H new ATOM 0 HG11 VAL B 10 6.921 -3.124 5.980 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.664 -2.302 6.935 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.872 -1.909 5.212 1.00 0.27 H new ATOM 0 HG21 VAL B 10 8.962 -1.951 5.327 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.047 -0.666 4.505 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.218 -0.249 5.778 1.00 0.22 H new ATOM 1068 N ASP B 11 6.468 -0.660 8.964 1.00 0.23 N ATOM 1069 CA ASP B 11 5.890 -0.876 10.292 1.00 0.31 C ATOM 1070 C ASP B 11 6.509 -2.119 10.903 1.00 0.27 C ATOM 1071 O ASP B 11 7.276 -2.049 11.861 1.00 0.21 O ATOM 1072 CB ASP B 11 4.370 -1.055 10.198 1.00 0.64 C ATOM 1073 CG ASP B 11 3.716 -1.396 11.520 1.00 0.98 C ATOM 1074 OD1 ASP B 11 3.755 -0.560 12.443 1.00 1.66 O ATOM 1075 OD2 ASP B 11 3.135 -2.494 11.626 1.00 1.39 O ATOM 0 H ASP B 11 7.237 -1.294 8.745 1.00 0.23 H new ATOM 0 HA ASP B 11 6.098 -0.006 10.916 1.00 0.31 H new ATOM 0 HB2 ASP B 11 3.928 -0.137 9.810 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.149 -1.844 9.479 1.00 0.64 H new ATOM 1080 N GLU B 12 6.164 -3.257 10.316 1.00 0.40 N ATOM 1081 CA GLU B 12 6.781 -4.533 10.640 1.00 0.54 C ATOM 1082 C GLU B 12 6.417 -5.563 9.589 1.00 0.46 C ATOM 1083 O GLU B 12 7.138 -5.750 8.607 1.00 0.52 O ATOM 1084 CB GLU B 12 6.388 -5.044 12.034 1.00 0.77 C ATOM 1085 CG GLU B 12 4.966 -4.720 12.450 1.00 0.87 C ATOM 1086 CD GLU B 12 4.658 -5.192 13.851 1.00 1.22 C ATOM 1087 OE1 GLU B 12 4.287 -6.372 14.015 1.00 1.57 O ATOM 1088 OE2 GLU B 12 4.797 -4.388 14.794 1.00 1.91 O ATOM 0 H GLU B 12 5.443 -3.320 9.597 1.00 0.40 H new ATOM 0 HA GLU B 12 7.859 -4.375 10.650 1.00 0.54 H new ATOM 0 HB2 GLU B 12 6.523 -6.125 12.061 1.00 0.77 H new ATOM 0 HB3 GLU B 12 7.073 -4.619 12.768 1.00 0.77 H new ATOM 0 HG2 GLU B 12 4.808 -3.643 12.389 1.00 0.87 H new ATOM 0 HG3 GLU B 12 4.270 -5.185 11.751 1.00 0.87 H new ATOM 1095 N LEU B 13 5.272 -6.192 9.787 1.00 0.39 N ATOM 1096 CA LEU B 13 4.809 -7.255 8.914 1.00 0.35 C ATOM 1097 C LEU B 13 4.535 -6.757 7.494 1.00 0.29 C ATOM 1098 O LEU B 13 4.794 -7.472 6.531 1.00 0.40 O ATOM 1099 CB LEU B 13 3.562 -7.929 9.505 1.00 0.40 C ATOM 1100 CG LEU B 13 2.251 -7.128 9.444 1.00 0.53 C ATOM 1101 CD1 LEU B 13 1.077 -8.026 9.790 1.00 0.64 C ATOM 1102 CD2 LEU B 13 2.282 -5.935 10.389 1.00 0.72 C ATOM 0 H LEU B 13 4.638 -5.980 10.557 1.00 0.39 H new ATOM 0 HA LEU B 13 5.609 -7.992 8.845 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.408 -8.875 8.985 1.00 0.40 H new ATOM 0 HB3 LEU B 13 3.767 -8.168 10.549 1.00 0.40 H new ATOM 0 HG LEU B 13 2.137 -6.752 8.427 1.00 0.53 H new ATOM 0 HD11 LEU B 13 0.153 -7.450 9.744 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.027 -8.850 9.078 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.207 -8.424 10.796 1.00 0.64 H new ATOM 0 HD21 LEU B 13 1.340 -5.392 10.320 1.00 0.72 H new ATOM 0 HD22 LEU B 13 2.425 -6.284 11.411 1.00 0.72 H new ATOM 0 HD23 LEU B 13 3.103 -5.274 10.113 1.00 0.72 H new ATOM 1114 N GLY B 14 4.040 -5.528 7.360 1.00 0.25 N ATOM 1115 CA GLY B 14 3.760 -5.009 6.036 1.00 0.24 C ATOM 1116 C GLY B 14 2.874 -3.788 6.045 1.00 0.22 C ATOM 1117 O GLY B 14 2.592 -3.223 4.996 1.00 0.31 O ATOM 0 H GLY B 14 3.832 -4.894 8.131 1.00 0.25 H new ATOM 0 HA2 GLY B 14 4.701 -4.762 5.544 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.285 -5.789 5.441 1.00 0.24 H new ATOM 1121 N ARG B 15 2.415 -3.383 7.222 1.00 0.17 N ATOM 1122 CA ARG B 15 1.556 -2.212 7.328 1.00 0.17 C ATOM 1123 C ARG B 15 2.291 -0.935 6.939 1.00 0.17 C ATOM 1124 O ARG B 15 3.008 -0.357 7.742 1.00 0.22 O ATOM 1125 CB ARG B 15 0.988 -2.079 8.740 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.520 -2.026 8.756 1.00 0.23 C ATOM 1127 CD ARG B 15 -1.075 -1.971 10.166 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.531 -2.106 10.172 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.204 -2.946 10.957 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.564 -3.711 11.832 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.523 -3.016 10.865 1.00 0.75 N ATOM 0 H ARG B 15 2.621 -3.843 8.109 1.00 0.17 H new ATOM 0 HA ARG B 15 0.733 -2.354 6.628 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.325 -2.922 9.344 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.385 -1.176 9.204 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.857 -1.151 8.200 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.918 -2.902 8.244 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.632 -2.767 10.764 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.794 -1.027 10.633 1.00 0.25 H new ATOM 0 HE ARG B 15 -3.067 -1.518 9.533 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.548 -3.659 11.908 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -3.088 -4.351 12.429 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -5.019 -2.428 10.195 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -5.043 -3.658 11.464 1.00 0.75 H new ATOM 1145 N VAL B 16 2.112 -0.500 5.703 1.00 0.14 N ATOM 1146 CA VAL B 16 2.731 0.737 5.239 1.00 0.14 C ATOM 1147 C VAL B 16 1.768 1.903 5.402 1.00 0.16 C ATOM 1148 O VAL B 16 0.553 1.745 5.242 1.00 0.16 O ATOM 1149 CB VAL B 16 3.176 0.632 3.773 1.00 0.15 C ATOM 1150 CG1 VAL B 16 4.098 -0.555 3.619 1.00 1.04 C ATOM 1151 CG2 VAL B 16 1.981 0.519 2.843 1.00 0.96 C ATOM 0 H VAL B 16 1.546 -0.980 5.003 1.00 0.14 H new ATOM 0 HA VAL B 16 3.617 0.910 5.850 1.00 0.14 H new ATOM 0 HB VAL B 16 3.711 1.541 3.497 1.00 0.15 H new ATOM 0 HG11 VAL B 16 4.418 -0.635 2.580 1.00 1.04 H new ATOM 0 HG12 VAL B 16 4.971 -0.423 4.258 1.00 1.04 H new ATOM 0 HG13 VAL B 16 3.571 -1.465 3.908 1.00 1.04 H new ATOM 0 HG21 VAL B 16 2.328 0.446 1.812 1.00 0.96 H new ATOM 0 HG22 VAL B 16 1.406 -0.372 3.096 1.00 0.96 H new ATOM 0 HG23 VAL B 16 1.350 1.401 2.952 1.00 0.96 H new ATOM 1161 N VAL B 17 2.304 3.065 5.735 1.00 0.17 N ATOM 1162 CA VAL B 17 1.482 4.240 5.976 1.00 0.17 C ATOM 1163 C VAL B 17 1.104 4.918 4.662 1.00 0.18 C ATOM 1164 O VAL B 17 1.936 5.571 4.031 1.00 0.25 O ATOM 1165 CB VAL B 17 2.202 5.271 6.868 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.279 6.435 7.199 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.728 4.625 8.136 1.00 0.22 C ATOM 0 H VAL B 17 3.306 3.221 5.845 1.00 0.17 H new ATOM 0 HA VAL B 17 0.585 3.891 6.488 1.00 0.17 H new ATOM 0 HB VAL B 17 3.055 5.658 6.311 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.807 7.150 7.829 1.00 0.23 H new ATOM 0 HG12 VAL B 17 0.966 6.925 6.277 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.401 6.064 7.728 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.231 5.376 8.745 1.00 0.22 H new ATOM 0 HG22 VAL B 17 1.898 4.198 8.698 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.434 3.836 7.877 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.138 4.742 4.237 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.632 5.425 3.053 1.00 0.21 C ATOM 1179 C ILE B 18 -1.033 6.856 3.396 1.00 0.17 C ATOM 1180 O ILE B 18 -1.599 7.104 4.461 1.00 0.18 O ATOM 1181 CB ILE B 18 -1.857 4.713 2.438 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -1.597 3.212 2.316 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -2.205 5.314 1.088 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -2.427 2.520 1.253 1.00 0.55 C ATOM 0 H ILE B 18 -0.819 4.135 4.693 1.00 0.16 H new ATOM 0 HA ILE B 18 0.180 5.417 2.326 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.710 4.859 3.101 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -0.541 3.055 2.096 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -1.795 2.741 3.279 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.070 4.798 0.672 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -2.437 6.372 1.210 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -1.358 5.204 0.411 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -2.181 1.458 1.233 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -3.486 2.643 1.481 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -2.212 2.961 0.280 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.706 7.816 2.513 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.149 9.204 2.631 1.00 0.22 C ATOM 1198 C PRO B 19 -2.614 9.351 3.029 1.00 0.21 C ATOM 1199 O PRO B 19 -3.495 8.680 2.482 1.00 0.18 O ATOM 1200 CB PRO B 19 -0.960 9.737 1.225 1.00 0.26 C ATOM 1201 CG PRO B 19 0.226 8.999 0.714 1.00 0.28 C ATOM 1202 CD PRO B 19 0.168 7.630 1.338 1.00 0.27 C ATOM 0 HA PRO B 19 -0.594 9.727 3.410 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.840 9.554 0.608 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.790 10.814 1.226 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.204 8.932 -0.374 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.150 9.511 0.984 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.241 6.893 0.648 1.00 0.27 H new ATOM 0 HD3 PRO B 19 1.159 7.280 1.628 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.862 10.254 3.967 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.218 10.593 4.377 1.00 0.26 C ATOM 1212 C ILE B 20 -5.055 11.035 3.171 1.00 0.26 C ATOM 1213 O ILE B 20 -6.246 10.746 3.092 1.00 0.25 O ATOM 1214 CB ILE B 20 -4.213 11.700 5.460 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.641 12.066 5.874 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.458 12.931 4.969 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.714 13.074 7.002 1.00 0.82 C ATOM 0 H ILE B 20 -2.135 10.769 4.463 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.669 9.698 4.805 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.697 11.312 6.339 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -6.169 12.466 5.008 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -6.165 11.159 6.176 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.467 13.697 5.745 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.428 12.658 4.739 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.939 13.319 4.071 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.758 13.282 7.237 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -5.216 12.670 7.884 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -5.220 13.997 6.698 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.402 11.667 2.198 1.00 0.28 N ATOM 1230 CA GLU B 21 -5.085 12.151 1.005 1.00 0.30 C ATOM 1231 C GLU B 21 -5.464 10.985 0.096 1.00 0.26 C ATOM 1232 O GLU B 21 -6.418 11.066 -0.680 1.00 0.26 O ATOM 1233 CB GLU B 21 -4.190 13.122 0.240 1.00 0.37 C ATOM 1234 CG GLU B 21 -2.930 12.473 -0.305 1.00 0.42 C ATOM 1235 CD GLU B 21 -2.102 13.415 -1.142 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -2.007 14.612 -0.782 1.00 1.35 O ATOM 1237 OE2 GLU B 21 -1.532 12.965 -2.154 1.00 1.18 O ATOM 0 H GLU B 21 -3.400 11.855 2.214 1.00 0.28 H new ATOM 0 HA GLU B 21 -5.992 12.668 1.318 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.755 13.553 -0.586 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.911 13.945 0.899 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.327 12.107 0.526 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.204 11.606 -0.906 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.748 9.878 0.236 1.00 0.24 N ATOM 1245 CA LEU B 22 -4.961 8.742 -0.633 1.00 0.22 C ATOM 1246 C LEU B 22 -6.144 7.931 -0.137 1.00 0.20 C ATOM 1247 O LEU B 22 -7.058 7.616 -0.905 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.700 7.889 -0.720 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.590 8.457 -1.606 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.625 7.363 -2.026 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.177 9.164 -2.820 1.00 0.33 C ATOM 0 H LEU B 22 -4.021 9.748 0.939 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.186 9.098 -1.638 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.305 7.750 0.286 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -3.973 6.902 -1.095 1.00 0.23 H new ATOM 0 HG LEU B 22 -2.033 9.193 -1.026 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -0.844 7.789 -2.655 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.174 6.916 -1.140 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.164 6.597 -2.584 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.370 9.560 -3.436 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.765 8.456 -3.404 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.817 9.983 -2.490 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.173 7.658 1.163 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.299 6.953 1.752 1.00 0.18 C ATOM 1265 C ARG B 23 -8.543 7.821 1.587 1.00 0.18 C ATOM 1266 O ARG B 23 -9.645 7.329 1.363 1.00 0.19 O ATOM 1267 CB ARG B 23 -7.053 6.673 3.241 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.904 7.936 4.066 1.00 0.27 C ATOM 1269 CD ARG B 23 -7.415 7.742 5.479 1.00 0.64 C ATOM 1270 NE ARG B 23 -7.632 9.017 6.161 1.00 0.66 N ATOM 1271 CZ ARG B 23 -7.760 9.154 7.481 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -7.651 8.099 8.283 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.006 10.351 7.994 1.00 1.34 N ATOM 0 H ARG B 23 -5.436 7.912 1.821 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.431 5.995 1.250 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.881 6.084 3.636 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -6.152 6.068 3.347 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.855 8.231 4.095 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -7.451 8.750 3.589 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -8.349 7.181 5.453 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -6.700 7.145 6.045 1.00 0.64 H new ATOM 0 HE ARG B 23 -7.689 9.859 5.588 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -7.468 7.176 7.889 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -7.750 8.213 9.292 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -8.096 11.160 7.380 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -8.105 10.463 9.003 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.322 9.130 1.690 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.341 10.136 1.435 1.00 0.22 C ATOM 1289 C ARG B 24 -9.908 9.987 0.034 1.00 0.22 C ATOM 1290 O ARG B 24 -11.122 10.028 -0.166 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.715 11.505 1.586 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.626 12.661 1.247 1.00 0.42 C ATOM 1293 CD ARG B 24 -8.808 13.909 0.980 1.00 0.89 C ATOM 1294 NE ARG B 24 -9.645 15.091 0.820 1.00 1.40 N ATOM 1295 CZ ARG B 24 -9.174 16.295 0.489 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -7.881 16.464 0.243 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -9.997 17.329 0.384 1.00 2.77 N ATOM 0 H ARG B 24 -7.419 9.522 1.956 1.00 0.20 H new ATOM 0 HA ARG B 24 -10.156 10.009 2.147 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.372 11.621 2.614 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.833 11.557 0.948 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.226 12.416 0.371 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -10.320 12.840 2.069 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -8.111 14.068 1.803 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -8.210 13.764 0.080 1.00 0.89 H new ATOM 0 HE ARG B 24 -10.649 14.992 0.970 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -7.242 15.672 0.306 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -7.526 17.386 -0.010 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -10.995 17.206 0.556 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -9.632 18.247 0.131 1.00 2.77 H new ATOM 1311 N THR B 25 -9.017 9.797 -0.932 1.00 0.23 N ATOM 1312 CA THR B 25 -9.409 9.606 -2.327 1.00 0.24 C ATOM 1313 C THR B 25 -10.313 8.389 -2.468 1.00 0.22 C ATOM 1314 O THR B 25 -11.279 8.393 -3.232 1.00 0.23 O ATOM 1315 CB THR B 25 -8.168 9.399 -3.221 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.298 10.535 -3.129 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.572 9.178 -4.667 1.00 0.29 C ATOM 0 H THR B 25 -8.010 9.771 -0.775 1.00 0.23 H new ATOM 0 HA THR B 25 -9.943 10.502 -2.643 1.00 0.24 H new ATOM 0 HB THR B 25 -7.641 8.512 -2.869 1.00 0.27 H new ATOM 0 HG1 THR B 25 -6.946 10.605 -2.217 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.680 9.035 -5.276 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.205 8.293 -4.737 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.122 10.047 -5.028 1.00 0.29 H new ATOM 1325 N LEU B 26 -10.008 7.362 -1.689 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.715 6.095 -1.782 1.00 0.19 C ATOM 1327 C LEU B 26 -11.953 6.133 -0.906 1.00 0.18 C ATOM 1328 O LEU B 26 -12.800 5.242 -0.961 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.807 4.951 -1.334 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.320 5.137 -1.633 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.520 3.963 -1.106 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.072 5.348 -3.123 1.00 0.24 C ATOM 0 H LEU B 26 -9.272 7.382 -0.983 1.00 0.20 H new ATOM 0 HA LEU B 26 -11.009 5.931 -2.819 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -9.929 4.812 -0.260 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.144 4.033 -1.814 1.00 0.19 H new ATOM 0 HG LEU B 26 -7.985 6.037 -1.118 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.464 4.113 -1.328 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.656 3.885 -0.027 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.864 3.045 -1.583 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -7.004 5.477 -3.299 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.429 4.480 -3.678 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.605 6.238 -3.458 1.00 0.24 H new ATOM 1344 N GLY B 27 -12.057 7.193 -0.118 1.00 0.19 N ATOM 1345 CA GLY B 27 -13.122 7.310 0.856 1.00 0.21 C ATOM 1346 C GLY B 27 -13.060 6.218 1.903 1.00 0.24 C ATOM 1347 O GLY B 27 -14.091 5.775 2.414 1.00 0.34 O ATOM 0 H GLY B 27 -11.413 7.984 -0.137 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -13.061 8.283 1.344 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -14.085 7.269 0.346 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.848 5.776 2.217 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.652 4.725 3.200 1.00 0.23 C ATOM 1353 C ILE B 28 -10.791 5.211 4.352 1.00 0.18 C ATOM 1354 O ILE B 28 -10.178 6.279 4.280 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.961 3.487 2.605 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.556 3.859 2.137 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -11.782 2.902 1.464 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.610 2.684 2.116 1.00 0.47 C ATOM 0 H ILE B 28 -10.987 6.132 1.803 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.650 4.455 3.545 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.882 2.721 3.376 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.614 4.289 1.137 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -9.153 4.631 2.793 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -11.272 2.027 1.060 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -12.764 2.610 1.835 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.898 3.649 0.679 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.629 3.013 1.775 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.524 2.268 3.120 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.993 1.921 1.438 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.747 4.400 5.397 1.00 0.19 N ATOM 1371 CA ALA B 29 -9.883 4.630 6.540 1.00 0.18 C ATOM 1372 C ALA B 29 -10.024 3.506 7.532 1.00 0.19 C ATOM 1373 O ALA B 29 -11.033 2.809 7.553 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.198 5.958 7.218 1.00 0.22 C ATOM 0 H ALA B 29 -11.316 3.557 5.475 1.00 0.19 H new ATOM 0 HA ALA B 29 -8.856 4.668 6.178 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -9.533 6.098 8.070 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.055 6.772 6.508 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.232 5.954 7.562 1.00 0.22 H new ATOM 1380 N GLU B 30 -8.990 3.358 8.349 1.00 0.20 N ATOM 1381 CA GLU B 30 -8.962 2.447 9.480 1.00 0.22 C ATOM 1382 C GLU B 30 -9.623 1.082 9.242 1.00 0.24 C ATOM 1383 O GLU B 30 -8.977 0.152 8.769 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.524 3.156 10.715 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.639 4.150 10.419 1.00 0.28 C ATOM 1386 CD GLU B 30 -10.915 5.076 11.581 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -11.559 4.637 12.553 1.00 1.12 O ATOM 1388 OE2 GLU B 30 -10.485 6.245 11.529 1.00 1.11 O ATOM 0 H GLU B 30 -8.124 3.885 8.238 1.00 0.20 H new ATOM 0 HA GLU B 30 -7.915 2.189 9.643 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -9.899 2.405 11.410 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.712 3.680 11.219 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.371 4.741 9.544 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.549 3.605 10.169 1.00 0.28 H new ATOM 1395 N LYS B 31 -10.898 0.960 9.566 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.580 -0.327 9.510 1.00 0.30 C ATOM 1397 C LYS B 31 -12.039 -0.689 8.100 1.00 0.27 C ATOM 1398 O LYS B 31 -12.732 -1.686 7.909 1.00 0.33 O ATOM 1399 CB LYS B 31 -12.759 -0.324 10.475 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.345 -0.038 11.905 1.00 0.44 C ATOM 1401 CD LYS B 31 -11.416 -1.119 12.432 1.00 0.49 C ATOM 1402 CE LYS B 31 -9.961 -0.673 12.420 1.00 0.50 C ATOM 1403 NZ LYS B 31 -9.047 -1.726 12.933 1.00 0.65 N ATOM 0 H LYS B 31 -11.485 1.736 9.871 1.00 0.26 H new ATOM 0 HA LYS B 31 -10.863 -1.092 9.808 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.484 0.425 10.154 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.260 -1.291 10.433 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -11.847 0.930 11.956 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.230 0.025 12.538 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -11.706 -1.383 13.449 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -11.525 -2.018 11.826 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -9.672 -0.408 11.403 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -9.853 0.226 13.027 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -8.067 -1.378 12.906 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -9.304 -1.962 13.913 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -9.129 -2.576 12.339 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.655 0.106 7.109 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.060 -0.156 5.734 1.00 0.21 C ATOM 1419 C ASP B 32 -11.106 -1.126 5.063 1.00 0.19 C ATOM 1420 O ASP B 32 -10.126 -1.566 5.664 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.162 1.128 4.920 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.376 1.948 5.292 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.474 1.363 5.420 1.00 1.18 O ATOM 1424 OD2 ASP B 32 -13.248 3.176 5.440 1.00 1.37 O ATOM 0 H ASP B 32 -11.068 0.931 7.230 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.051 -0.608 5.773 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.263 1.725 5.073 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -12.204 0.881 3.859 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.417 -1.489 3.830 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.637 -2.485 3.122 1.00 0.19 C ATOM 1431 C ALA B 33 -10.108 -1.984 1.785 1.00 0.19 C ATOM 1432 O ALA B 33 -10.685 -1.095 1.152 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.478 -3.731 2.918 1.00 0.22 C ATOM 0 H ALA B 33 -12.202 -1.109 3.301 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.765 -2.713 3.735 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -10.893 -4.481 2.386 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.782 -4.128 3.887 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.364 -3.480 2.335 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.994 -2.571 1.376 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.394 -2.315 0.076 1.00 0.19 C ATOM 1441 C LEU B 34 -8.225 -3.637 -0.666 1.00 0.20 C ATOM 1442 O LEU B 34 -8.159 -4.701 -0.051 1.00 0.23 O ATOM 1443 CB LEU B 34 -7.015 -1.657 0.219 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.979 -0.287 0.897 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -7.023 -0.433 2.411 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.736 0.478 0.465 1.00 0.85 C ATOM 0 H LEU B 34 -8.477 -3.244 1.942 1.00 0.19 H new ATOM 0 HA LEU B 34 -9.050 -1.640 -0.474 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.371 -2.333 0.782 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.580 -1.557 -0.775 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.859 0.277 0.589 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -6.996 0.554 2.873 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -7.941 -0.944 2.701 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -6.163 -1.013 2.746 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -5.720 1.452 0.954 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -4.846 -0.084 0.748 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -5.750 0.615 -0.616 1.00 0.85 H new ATOM 1458 N GLU B 35 -8.147 -3.554 -1.974 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.878 -4.699 -2.820 1.00 0.20 C ATOM 1460 C GLU B 35 -6.422 -4.660 -3.278 1.00 0.19 C ATOM 1461 O GLU B 35 -6.048 -3.843 -4.123 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.813 -4.694 -4.030 1.00 0.23 C ATOM 1463 CG GLU B 35 -10.228 -5.131 -3.694 1.00 0.78 C ATOM 1464 CD GLU B 35 -11.185 -4.988 -4.865 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -10.846 -5.440 -5.981 1.00 1.30 O ATOM 1466 OE2 GLU B 35 -12.283 -4.417 -4.682 1.00 1.40 O ATOM 0 H GLU B 35 -8.269 -2.682 -2.488 1.00 0.19 H new ATOM 0 HA GLU B 35 -8.053 -5.614 -2.253 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -8.841 -3.691 -4.455 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.408 -5.354 -4.797 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -10.214 -6.171 -3.368 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -10.596 -4.539 -2.856 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.607 -5.522 -2.694 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.178 -5.555 -2.962 1.00 0.22 C ATOM 1475 C ILE B 36 -3.850 -6.529 -4.093 1.00 0.24 C ATOM 1476 O ILE B 36 -4.174 -7.717 -4.029 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.382 -5.953 -1.692 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.293 -4.783 -0.714 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.985 -6.451 -2.041 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.616 -4.399 -0.104 1.00 0.25 C ATOM 0 H ILE B 36 -5.918 -6.221 -2.019 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.884 -4.550 -3.265 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.924 -6.769 -1.214 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.597 -5.041 0.084 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.878 -3.919 -1.233 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.456 -6.721 -1.127 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -2.061 -7.325 -2.688 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.437 -5.664 -2.558 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.472 -3.562 0.579 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.310 -4.109 -0.893 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -5.024 -5.248 0.444 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.216 -6.008 -5.124 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.737 -6.796 -6.241 1.00 0.24 C ATOM 1494 C TYR B 37 -1.237 -6.550 -6.416 1.00 0.18 C ATOM 1495 O TYR B 37 -0.706 -5.565 -5.907 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.561 -6.458 -7.500 1.00 0.31 C ATOM 1497 CG TYR B 37 -2.823 -6.495 -8.827 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -2.724 -7.669 -9.563 1.00 2.07 C ATOM 1499 CD2 TYR B 37 -2.250 -5.345 -9.354 1.00 1.84 C ATOM 1500 CE1 TYR B 37 -2.068 -7.696 -10.781 1.00 3.02 C ATOM 1501 CE2 TYR B 37 -1.596 -5.362 -10.571 1.00 2.78 C ATOM 1502 CZ TYR B 37 -1.507 -6.538 -11.280 1.00 3.21 C ATOM 1503 OH TYR B 37 -0.851 -6.559 -12.493 1.00 4.28 O ATOM 0 H TYR B 37 -3.016 -5.011 -5.210 1.00 0.24 H new ATOM 0 HA TYR B 37 -2.870 -7.862 -6.057 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -4.398 -7.154 -7.556 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.983 -5.461 -7.373 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -3.166 -8.576 -9.178 1.00 2.07 H new ATOM 0 HD2 TYR B 37 -2.317 -4.419 -8.802 1.00 1.84 H new ATOM 0 HE1 TYR B 37 -1.995 -8.618 -11.338 1.00 3.02 H new ATOM 0 HE2 TYR B 37 -1.157 -4.457 -10.964 1.00 2.78 H new ATOM 0 HH TYR B 37 -0.315 -5.744 -12.589 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.554 -7.445 -7.112 1.00 0.21 N ATOM 1514 CA VAL B 38 0.893 -7.348 -7.236 1.00 0.20 C ATOM 1515 C VAL B 38 1.294 -7.128 -8.693 1.00 0.20 C ATOM 1516 O VAL B 38 0.751 -7.763 -9.595 1.00 0.26 O ATOM 1517 CB VAL B 38 1.602 -8.594 -6.660 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.331 -9.837 -7.495 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.091 -8.319 -6.541 1.00 0.21 C ATOM 0 H VAL B 38 -0.972 -8.240 -7.596 1.00 0.21 H new ATOM 0 HA VAL B 38 1.215 -6.487 -6.650 1.00 0.20 H new ATOM 0 HB VAL B 38 1.198 -8.795 -5.668 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.848 -10.690 -7.056 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.259 -10.034 -7.517 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.692 -9.678 -8.511 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.592 -9.198 -6.135 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.499 -8.092 -7.526 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.252 -7.470 -5.877 1.00 0.21 H new ATOM 1529 N ASP B 39 2.231 -6.217 -8.927 1.00 0.18 N ATOM 1530 CA ASP B 39 2.629 -5.874 -10.288 1.00 0.22 C ATOM 1531 C ASP B 39 4.145 -5.969 -10.430 1.00 0.26 C ATOM 1532 O ASP B 39 4.865 -4.994 -10.194 1.00 0.29 O ATOM 1533 CB ASP B 39 2.134 -4.466 -10.634 1.00 0.24 C ATOM 1534 CG ASP B 39 2.069 -4.214 -12.124 1.00 0.39 C ATOM 1535 OD1 ASP B 39 1.178 -4.789 -12.789 1.00 1.12 O ATOM 1536 OD2 ASP B 39 2.883 -3.419 -12.634 1.00 1.07 O ATOM 0 H ASP B 39 2.727 -5.705 -8.198 1.00 0.18 H new ATOM 0 HA ASP B 39 2.177 -6.580 -10.985 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.144 -4.318 -10.202 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.795 -3.731 -10.175 1.00 0.24 H new ATOM 1541 N ASP B 40 4.611 -7.167 -10.789 1.00 0.30 N ATOM 1542 CA ASP B 40 6.041 -7.503 -10.821 1.00 0.36 C ATOM 1543 C ASP B 40 6.667 -7.356 -9.444 1.00 0.39 C ATOM 1544 O ASP B 40 6.681 -8.299 -8.650 1.00 0.46 O ATOM 1545 CB ASP B 40 6.837 -6.664 -11.828 1.00 0.48 C ATOM 1546 CG ASP B 40 6.825 -7.243 -13.230 1.00 0.92 C ATOM 1547 OD1 ASP B 40 6.782 -8.483 -13.370 1.00 1.59 O ATOM 1548 OD2 ASP B 40 6.871 -6.459 -14.201 1.00 1.64 O ATOM 0 H ASP B 40 4.005 -7.938 -11.068 1.00 0.30 H new ATOM 0 HA ASP B 40 6.091 -8.543 -11.144 1.00 0.36 H new ATOM 0 HB2 ASP B 40 6.426 -5.655 -11.855 1.00 0.48 H new ATOM 0 HB3 ASP B 40 7.868 -6.579 -11.486 1.00 0.48 H new ATOM 1553 N GLU B 41 7.173 -6.166 -9.164 1.00 0.45 N ATOM 1554 CA GLU B 41 7.836 -5.894 -7.904 1.00 0.58 C ATOM 1555 C GLU B 41 7.187 -4.708 -7.208 1.00 0.41 C ATOM 1556 O GLU B 41 7.683 -4.222 -6.193 1.00 0.46 O ATOM 1557 CB GLU B 41 9.317 -5.625 -8.144 1.00 0.87 C ATOM 1558 CG GLU B 41 10.016 -6.750 -8.882 1.00 1.33 C ATOM 1559 CD GLU B 41 11.484 -6.466 -9.100 1.00 1.98 C ATOM 1560 OE1 GLU B 41 12.253 -6.483 -8.113 1.00 2.81 O ATOM 1561 OE2 GLU B 41 11.874 -6.208 -10.256 1.00 2.10 O ATOM 0 H GLU B 41 7.135 -5.369 -9.799 1.00 0.45 H new ATOM 0 HA GLU B 41 7.737 -6.767 -7.258 1.00 0.58 H new ATOM 0 HB2 GLU B 41 9.424 -4.703 -8.715 1.00 0.87 H new ATOM 0 HB3 GLU B 41 9.811 -5.466 -7.185 1.00 0.87 H new ATOM 0 HG2 GLU B 41 9.907 -7.676 -8.317 1.00 1.33 H new ATOM 0 HG3 GLU B 41 9.531 -6.906 -9.846 1.00 1.33 H new ATOM 1568 N LYS B 42 6.076 -4.237 -7.762 1.00 0.34 N ATOM 1569 CA LYS B 42 5.326 -3.163 -7.141 1.00 0.31 C ATOM 1570 C LYS B 42 4.085 -3.724 -6.482 1.00 0.24 C ATOM 1571 O LYS B 42 3.606 -4.802 -6.849 1.00 0.27 O ATOM 1572 CB LYS B 42 4.890 -2.110 -8.155 1.00 0.44 C ATOM 1573 CG LYS B 42 5.970 -1.660 -9.119 1.00 0.84 C ATOM 1574 CD LYS B 42 5.500 -0.457 -9.919 1.00 0.92 C ATOM 1575 CE LYS B 42 4.260 -0.773 -10.742 1.00 0.48 C ATOM 1576 NZ LYS B 42 4.582 -1.544 -11.975 1.00 0.98 N ATOM 0 H LYS B 42 5.680 -4.583 -8.636 1.00 0.34 H new ATOM 0 HA LYS B 42 5.982 -2.693 -6.408 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.053 -2.506 -8.730 1.00 0.44 H new ATOM 0 HB3 LYS B 42 4.521 -1.238 -7.615 1.00 0.44 H new ATOM 0 HG2 LYS B 42 6.875 -1.407 -8.568 1.00 0.84 H new ATOM 0 HG3 LYS B 42 6.226 -2.476 -9.795 1.00 0.84 H new ATOM 0 HD2 LYS B 42 5.285 0.369 -9.241 1.00 0.92 H new ATOM 0 HD3 LYS B 42 6.300 -0.126 -10.581 1.00 0.92 H new ATOM 0 HE2 LYS B 42 3.558 -1.342 -10.133 1.00 0.48 H new ATOM 0 HE3 LYS B 42 3.762 0.157 -11.017 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 4.297 -0.996 -12.812 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 5.605 -1.726 -12.013 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 4.069 -2.449 -11.962 1.00 0.98 H new ATOM 1590 N ILE B 43 3.556 -2.986 -5.530 1.00 0.20 N ATOM 1591 CA ILE B 43 2.316 -3.357 -4.887 1.00 0.19 C ATOM 1592 C ILE B 43 1.222 -2.396 -5.326 1.00 0.18 C ATOM 1593 O ILE B 43 1.434 -1.183 -5.367 1.00 0.20 O ATOM 1594 CB ILE B 43 2.457 -3.328 -3.358 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.687 -4.140 -2.944 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.198 -3.889 -2.715 1.00 0.28 C ATOM 1597 CD1 ILE B 43 4.161 -3.857 -1.539 1.00 0.42 C ATOM 0 H ILE B 43 3.969 -2.120 -5.183 1.00 0.20 H new ATOM 0 HA ILE B 43 2.058 -4.374 -5.181 1.00 0.19 H new ATOM 0 HB ILE B 43 2.587 -2.300 -3.019 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.456 -5.202 -3.032 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.499 -3.931 -3.640 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.302 -3.867 -1.630 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.339 -3.286 -3.009 1.00 0.28 H new ATOM 0 HG23 ILE B 43 1.049 -4.917 -3.044 1.00 0.28 H new ATOM 0 HD11 ILE B 43 5.035 -4.470 -1.320 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.425 -2.803 -1.449 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.366 -4.093 -0.832 1.00 0.42 H new ATOM 1609 N ILE B 44 0.070 -2.937 -5.671 1.00 0.17 N ATOM 1610 CA ILE B 44 -1.026 -2.134 -6.192 1.00 0.17 C ATOM 1611 C ILE B 44 -2.251 -2.338 -5.330 1.00 0.18 C ATOM 1612 O ILE B 44 -2.859 -3.398 -5.373 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.393 -2.526 -7.644 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.137 -2.724 -8.504 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.309 -1.474 -8.261 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.727 -1.494 -8.643 1.00 0.25 C ATOM 0 H ILE B 44 -0.135 -3.934 -5.601 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.700 -1.094 -6.181 1.00 0.17 H new ATOM 0 HB ILE B 44 -1.924 -3.477 -7.613 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.461 -3.526 -8.071 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.441 -3.053 -9.498 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.559 -1.763 -9.282 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.223 -1.397 -7.672 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.801 -0.510 -8.271 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.591 -1.725 -9.266 1.00 0.25 H new ATOM 0 HD12 ILE B 44 0.149 -0.694 -9.106 1.00 0.25 H new ATOM 0 HD13 ILE B 44 1.065 -1.174 -7.658 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.635 -1.348 -4.553 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.804 -1.515 -3.711 1.00 0.20 C ATOM 1630 C LEU B 45 -4.859 -0.476 -4.033 1.00 0.21 C ATOM 1631 O LEU B 45 -4.684 0.724 -3.820 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.463 -1.538 -2.214 1.00 0.36 C ATOM 1633 CG LEU B 45 -2.123 -0.925 -1.814 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -2.239 0.579 -1.688 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.628 -1.538 -0.515 1.00 1.22 C ATOM 0 H LEU B 45 -2.171 -0.442 -4.485 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.219 -2.497 -3.938 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -4.253 -1.014 -1.676 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.480 -2.574 -1.876 1.00 0.36 H new ATOM 0 HG LEU B 45 -1.396 -1.143 -2.596 1.00 0.43 H new ATOM 0 HD11 LEU B 45 -1.273 0.996 -1.402 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -2.548 1.001 -2.644 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -2.980 0.824 -0.927 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.672 -1.091 -0.243 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -2.354 -1.351 0.276 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -1.502 -2.613 -0.645 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.933 -0.972 -4.604 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.105 -0.181 -4.903 1.00 0.25 C ATOM 1649 C LYS B 46 -8.033 -0.257 -3.709 1.00 0.29 C ATOM 1650 O LYS B 46 -7.875 -1.122 -2.866 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.780 -0.750 -6.160 1.00 0.31 C ATOM 1652 CG LYS B 46 -9.073 -0.066 -6.571 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.864 -0.966 -7.498 1.00 0.65 C ATOM 1654 CE LYS B 46 -10.358 -2.188 -6.744 1.00 0.97 C ATOM 1655 NZ LYS B 46 -11.148 -3.112 -7.598 1.00 1.22 N ATOM 0 H LYS B 46 -6.018 -1.951 -4.878 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.845 0.860 -5.094 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -7.076 -0.688 -6.990 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -7.985 -1.808 -5.995 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.666 0.170 -5.687 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.852 0.878 -7.069 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.710 -0.419 -7.914 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -9.241 -1.274 -8.337 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -9.504 -2.724 -6.331 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -10.970 -1.866 -5.902 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -11.114 -4.071 -7.196 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -12.135 -2.788 -7.639 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -10.748 -3.125 -8.558 1.00 1.22 H new ATOM 1669 N LYS B 47 -8.957 0.662 -3.606 1.00 0.23 N ATOM 1670 CA LYS B 47 -10.000 0.557 -2.597 1.00 0.25 C ATOM 1671 C LYS B 47 -10.863 -0.667 -2.871 1.00 0.26 C ATOM 1672 O LYS B 47 -11.189 -0.953 -4.023 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.876 1.814 -2.608 1.00 0.31 C ATOM 1674 CG LYS B 47 -11.421 2.150 -3.995 1.00 1.18 C ATOM 1675 CD LYS B 47 -12.482 3.237 -3.951 1.00 1.15 C ATOM 1676 CE LYS B 47 -12.979 3.574 -5.350 1.00 2.19 C ATOM 1677 NZ LYS B 47 -14.197 4.428 -5.331 1.00 2.50 N ATOM 0 H LYS B 47 -9.016 1.489 -4.200 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.531 0.458 -1.618 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -11.710 1.675 -1.920 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -10.295 2.658 -2.238 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -10.601 2.472 -4.637 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -11.843 1.251 -4.444 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -13.318 2.909 -3.334 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -12.072 4.131 -3.482 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -12.189 4.086 -5.899 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -13.195 2.651 -5.888 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -14.495 4.629 -6.307 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -14.962 3.931 -4.831 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -13.987 5.322 -4.842 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.210 -1.397 -1.823 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.114 -2.524 -1.963 1.00 0.40 C ATOM 1693 C TYR B 48 -13.485 -2.016 -2.370 1.00 0.51 C ATOM 1694 O TYR B 48 -13.994 -1.063 -1.779 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.206 -3.301 -0.647 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.174 -4.464 -0.684 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -12.865 -5.625 -1.382 1.00 2.03 C ATOM 1698 CD2 TYR B 48 -14.395 -4.402 -0.021 1.00 1.59 C ATOM 1699 CE1 TYR B 48 -13.744 -6.689 -1.420 1.00 2.67 C ATOM 1700 CE2 TYR B 48 -15.279 -5.462 -0.054 1.00 2.26 C ATOM 1701 CZ TYR B 48 -14.950 -6.604 -0.756 1.00 2.61 C ATOM 1702 OH TYR B 48 -15.830 -7.664 -0.792 1.00 3.39 O ATOM 0 H TYR B 48 -10.881 -1.230 -0.872 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.734 -3.198 -2.731 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -11.215 -3.675 -0.388 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -12.506 -2.617 0.147 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -11.922 -5.696 -1.903 1.00 2.03 H new ATOM 0 HD2 TYR B 48 -14.656 -3.510 0.529 1.00 1.59 H new ATOM 0 HE1 TYR B 48 -13.488 -7.584 -1.967 1.00 2.67 H new ATOM 0 HE2 TYR B 48 -16.223 -5.398 0.467 1.00 2.26 H new ATOM 0 HH TYR B 48 -16.631 -7.442 -0.273 1.00 3.39 H new