USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=17 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 174:sc= -1.85! USER MOD Single : A 4 THR OG1 : rot -68:sc= -1.61! USER MOD Single : A 9 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.13) USER MOD Single : A 25 THR OG1 : rot 55:sc= 1.06 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.16) USER MOD Single : A 37 TYR OH : rot 55:sc= 1.26 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= 0.472 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.16) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot -160:sc= -1.48! USER MOD Single : B 4 THR OG1 : rot -163:sc= -1.56! USER MOD Single : B 9 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.2) USER MOD Single : B 25 THR OG1 : rot 58:sc= 0.827 USER MOD Single : B 31 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.19) USER MOD Single : B 37 TYR OH : rot 14:sc= 1.2 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 147:sc= -0.136 (180deg=-0.227) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 2.359 10.094 7.312 1.00 0.32 N ATOM 43 CA SER A 3 0.933 9.815 7.221 1.00 0.24 C ATOM 44 C SER A 3 0.227 10.964 6.569 1.00 0.25 C ATOM 45 O SER A 3 0.580 12.128 6.764 1.00 0.41 O ATOM 46 CB SER A 3 0.341 9.618 8.603 1.00 0.29 C ATOM 47 OG SER A 3 -0.870 8.890 8.540 1.00 1.15 O ATOM 0 HA SER A 3 0.804 8.907 6.631 1.00 0.24 H new ATOM 0 HB2 SER A 3 1.054 9.089 9.235 1.00 0.29 H new ATOM 0 HB3 SER A 3 0.162 10.588 9.067 1.00 0.29 H new ATOM 0 HG SER A 3 -1.181 8.692 9.448 1.00 1.15 H new ATOM 53 N THR A 4 -0.785 10.635 5.819 1.00 0.20 N ATOM 54 CA THR A 4 -1.467 11.628 5.053 1.00 0.20 C ATOM 55 C THR A 4 -2.975 11.459 5.159 1.00 0.21 C ATOM 56 O THR A 4 -3.728 12.435 5.173 1.00 0.26 O ATOM 57 CB THR A 4 -1.023 11.555 3.589 1.00 0.19 C ATOM 58 OG1 THR A 4 -1.200 10.221 3.089 1.00 0.19 O ATOM 59 CG2 THR A 4 0.432 11.969 3.465 1.00 0.24 C ATOM 0 H THR A 4 -1.153 9.688 5.724 1.00 0.20 H new ATOM 0 HA THR A 4 -1.210 12.608 5.454 1.00 0.20 H new ATOM 0 HB THR A 4 -1.635 12.238 2.999 1.00 0.19 H new ATOM 0 HG1 THR A 4 -0.567 9.619 3.533 1.00 0.19 H new ATOM 0 HG21 THR A 4 0.738 11.914 2.420 1.00 0.24 H new ATOM 0 HG22 THR A 4 0.551 12.991 3.825 1.00 0.24 H new ATOM 0 HG23 THR A 4 1.053 11.300 4.061 1.00 0.24 H new ATOM 67 N GLY A 5 -3.409 10.207 5.253 1.00 0.19 N ATOM 68 CA GLY A 5 -4.826 9.915 5.231 1.00 0.22 C ATOM 69 C GLY A 5 -5.352 10.064 3.823 1.00 0.22 C ATOM 70 O GLY A 5 -6.530 10.329 3.592 1.00 0.36 O ATOM 0 H GLY A 5 -2.804 9.391 5.344 1.00 0.19 H new ATOM 0 HA2 GLY A 5 -5.004 8.902 5.591 1.00 0.22 H new ATOM 0 HA3 GLY A 5 -5.357 10.590 5.902 1.00 0.22 H new ATOM 74 N ILE A 6 -4.437 9.901 2.887 1.00 0.14 N ATOM 75 CA ILE A 6 -4.694 10.096 1.477 1.00 0.14 C ATOM 76 C ILE A 6 -5.159 8.788 0.844 1.00 0.12 C ATOM 77 O ILE A 6 -4.496 7.761 0.978 1.00 0.11 O ATOM 78 CB ILE A 6 -3.403 10.634 0.793 1.00 0.16 C ATOM 79 CG1 ILE A 6 -3.490 12.152 0.596 1.00 0.18 C ATOM 80 CG2 ILE A 6 -3.137 9.950 -0.543 1.00 0.17 C ATOM 81 CD1 ILE A 6 -3.686 12.938 1.874 1.00 0.19 C ATOM 0 H ILE A 6 -3.477 9.624 3.091 1.00 0.14 H new ATOM 0 HA ILE A 6 -5.489 10.829 1.340 1.00 0.14 H new ATOM 0 HB ILE A 6 -2.569 10.404 1.456 1.00 0.16 H new ATOM 0 HG12 ILE A 6 -2.578 12.496 0.109 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.315 12.372 -0.081 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -2.227 10.356 -0.985 1.00 0.17 H new ATOM 0 HG22 ILE A 6 -3.017 8.878 -0.385 1.00 0.17 H new ATOM 0 HG23 ILE A 6 -3.977 10.126 -1.215 1.00 0.17 H new ATOM 0 HD11 ILE A 6 -3.737 14.002 1.643 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.614 12.626 2.354 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -2.849 12.753 2.547 1.00 0.19 H new ATOM 93 N VAL A 7 -6.307 8.808 0.178 1.00 0.13 N ATOM 94 CA VAL A 7 -6.828 7.585 -0.410 1.00 0.12 C ATOM 95 C VAL A 7 -6.416 7.480 -1.878 1.00 0.13 C ATOM 96 O VAL A 7 -6.279 8.492 -2.572 1.00 0.16 O ATOM 97 CB VAL A 7 -8.373 7.456 -0.294 1.00 0.15 C ATOM 98 CG1 VAL A 7 -8.896 8.099 0.978 1.00 0.22 C ATOM 99 CG2 VAL A 7 -9.097 8.004 -1.519 1.00 0.21 C ATOM 0 H VAL A 7 -6.882 9.638 0.034 1.00 0.13 H new ATOM 0 HA VAL A 7 -6.393 6.765 0.162 1.00 0.12 H new ATOM 0 HB VAL A 7 -8.588 6.389 -0.245 1.00 0.15 H new ATOM 0 HG11 VAL A 7 -9.979 7.988 1.023 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -8.445 7.613 1.843 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -8.639 9.158 0.982 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.173 7.890 -1.387 1.00 0.21 H new ATOM 0 HG22 VAL A 7 -8.856 9.060 -1.642 1.00 0.21 H new ATOM 0 HG23 VAL A 7 -8.780 7.454 -2.405 1.00 0.21 H new ATOM 109 N ARG A 8 -6.203 6.258 -2.339 1.00 0.12 N ATOM 110 CA ARG A 8 -5.850 6.003 -3.731 1.00 0.14 C ATOM 111 C ARG A 8 -6.542 4.751 -4.231 1.00 0.15 C ATOM 112 O ARG A 8 -6.943 3.897 -3.442 1.00 0.13 O ATOM 113 CB ARG A 8 -4.330 5.876 -3.884 1.00 0.14 C ATOM 114 CG ARG A 8 -3.602 7.180 -3.651 1.00 0.20 C ATOM 115 CD ARG A 8 -3.711 8.058 -4.872 1.00 0.32 C ATOM 116 NE ARG A 8 -3.815 9.475 -4.530 1.00 0.48 N ATOM 117 CZ ARG A 8 -2.853 10.372 -4.721 1.00 0.65 C ATOM 118 NH1 ARG A 8 -1.665 9.999 -5.182 1.00 1.60 N ATOM 119 NH2 ARG A 8 -3.086 11.646 -4.435 1.00 0.67 N ATOM 0 H ARG A 8 -6.269 5.418 -1.765 1.00 0.12 H new ATOM 0 HA ARG A 8 -6.186 6.847 -4.334 1.00 0.14 H new ATOM 0 HB2 ARG A 8 -3.961 5.129 -3.181 1.00 0.14 H new ATOM 0 HB3 ARG A 8 -4.100 5.512 -4.885 1.00 0.14 H new ATOM 0 HG2 ARG A 8 -4.024 7.692 -2.786 1.00 0.20 H new ATOM 0 HG3 ARG A 8 -2.553 6.985 -3.426 1.00 0.20 H new ATOM 0 HD2 ARG A 8 -2.839 7.903 -5.507 1.00 0.32 H new ATOM 0 HD3 ARG A 8 -4.585 7.762 -5.453 1.00 0.32 H new ATOM 0 HE ARG A 8 -4.689 9.799 -4.115 1.00 0.48 H new ATOM 0 HH11 ARG A 8 -1.485 9.017 -5.393 1.00 1.60 H new ATOM 0 HH12 ARG A 8 -0.932 10.694 -5.326 1.00 1.60 H new ATOM 0 HH21 ARG A 8 -3.996 11.929 -4.072 1.00 0.67 H new ATOM 0 HH22 ARG A 8 -2.355 12.343 -4.578 1.00 0.67 H new ATOM 133 N LYS A 9 -6.693 4.664 -5.543 1.00 0.18 N ATOM 134 CA LYS A 9 -7.330 3.515 -6.173 1.00 0.19 C ATOM 135 C LYS A 9 -6.343 2.365 -6.286 1.00 0.18 C ATOM 136 O LYS A 9 -5.126 2.569 -6.274 1.00 0.21 O ATOM 137 CB LYS A 9 -7.832 3.882 -7.574 1.00 0.23 C ATOM 138 CG LYS A 9 -8.754 5.091 -7.623 1.00 0.34 C ATOM 139 CD LYS A 9 -10.228 4.696 -7.587 1.00 0.43 C ATOM 140 CE LYS A 9 -10.725 4.435 -6.176 1.00 0.37 C ATOM 141 NZ LYS A 9 -12.164 4.060 -6.154 1.00 1.09 N ATOM 0 H LYS A 9 -6.381 5.381 -6.198 1.00 0.18 H new ATOM 0 HA LYS A 9 -8.175 3.213 -5.554 1.00 0.19 H new ATOM 0 HB2 LYS A 9 -6.971 4.072 -8.215 1.00 0.23 H new ATOM 0 HB3 LYS A 9 -8.358 3.024 -7.993 1.00 0.23 H new ATOM 0 HG2 LYS A 9 -8.535 5.747 -6.780 1.00 0.34 H new ATOM 0 HG3 LYS A 9 -8.555 5.661 -8.531 1.00 0.34 H new ATOM 0 HD2 LYS A 9 -10.825 5.489 -8.038 1.00 0.43 H new ATOM 0 HD3 LYS A 9 -10.376 3.802 -8.192 1.00 0.43 H new ATOM 0 HE2 LYS A 9 -10.135 3.637 -5.725 1.00 0.37 H new ATOM 0 HE3 LYS A 9 -10.573 5.326 -5.567 1.00 0.37 H new ATOM 0 HZ1 LYS A 9 -12.587 4.359 -5.252 1.00 1.09 H new ATOM 0 HZ2 LYS A 9 -12.657 4.529 -6.940 1.00 1.09 H new ATOM 0 HZ3 LYS A 9 -12.256 3.029 -6.254 1.00 1.09 H new ATOM 155 N VAL A 10 -6.878 1.163 -6.407 1.00 0.17 N ATOM 156 CA VAL A 10 -6.061 -0.045 -6.487 1.00 0.17 C ATOM 157 C VAL A 10 -5.867 -0.465 -7.955 1.00 0.22 C ATOM 158 O VAL A 10 -5.510 -1.607 -8.263 1.00 0.25 O ATOM 159 CB VAL A 10 -6.711 -1.183 -5.656 1.00 0.19 C ATOM 160 CG1 VAL A 10 -5.798 -2.394 -5.539 1.00 0.22 C ATOM 161 CG2 VAL A 10 -7.091 -0.674 -4.273 1.00 0.20 C ATOM 0 H VAL A 10 -7.883 0.992 -6.453 1.00 0.17 H new ATOM 0 HA VAL A 10 -5.077 0.162 -6.067 1.00 0.17 H new ATOM 0 HB VAL A 10 -7.611 -1.501 -6.183 1.00 0.19 H new ATOM 0 HG11 VAL A 10 -6.292 -3.166 -4.950 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.578 -2.781 -6.534 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -4.869 -2.103 -5.050 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -7.546 -1.482 -3.700 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -6.198 -0.322 -3.757 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -7.802 0.147 -4.370 1.00 0.20 H new ATOM 171 N ASP A 11 -6.109 0.488 -8.856 1.00 0.24 N ATOM 172 CA ASP A 11 -5.883 0.309 -10.289 1.00 0.35 C ATOM 173 C ASP A 11 -6.832 -0.721 -10.848 1.00 0.44 C ATOM 174 O ASP A 11 -8.019 -0.752 -10.545 1.00 0.77 O ATOM 175 CB ASP A 11 -4.457 -0.189 -10.573 1.00 0.41 C ATOM 176 CG ASP A 11 -3.826 0.375 -11.832 1.00 0.49 C ATOM 177 OD1 ASP A 11 -3.643 1.608 -11.917 1.00 1.11 O ATOM 178 OD2 ASP A 11 -3.469 -0.435 -12.722 1.00 1.32 O ATOM 0 H ASP A 11 -6.469 1.410 -8.610 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.041 1.281 -10.756 1.00 0.35 H new ATOM 0 HB2 ASP A 11 -3.823 0.061 -9.722 1.00 0.41 H new ATOM 0 HB3 ASP A 11 -4.475 -1.276 -10.648 1.00 0.41 H new ATOM 183 N GLU A 12 -6.255 -1.572 -11.655 1.00 0.34 N ATOM 184 CA GLU A 12 -6.956 -2.681 -12.283 1.00 0.38 C ATOM 185 C GLU A 12 -6.155 -3.941 -12.059 1.00 0.29 C ATOM 186 O GLU A 12 -6.669 -4.981 -11.652 1.00 0.35 O ATOM 187 CB GLU A 12 -7.112 -2.456 -13.790 1.00 0.58 C ATOM 188 CG GLU A 12 -6.376 -1.238 -14.320 1.00 0.72 C ATOM 189 CD GLU A 12 -7.283 -0.026 -14.436 1.00 1.25 C ATOM 190 OE1 GLU A 12 -7.529 0.648 -13.416 1.00 2.06 O ATOM 191 OE2 GLU A 12 -7.785 0.242 -15.548 1.00 1.53 O ATOM 0 H GLU A 12 -5.267 -1.520 -11.904 1.00 0.34 H new ATOM 0 HA GLU A 12 -7.950 -2.763 -11.842 1.00 0.38 H new ATOM 0 HB2 GLU A 12 -6.753 -3.340 -14.317 1.00 0.58 H new ATOM 0 HB3 GLU A 12 -8.172 -2.355 -14.023 1.00 0.58 H new ATOM 0 HG2 GLU A 12 -5.542 -1.003 -13.659 1.00 0.72 H new ATOM 0 HG3 GLU A 12 -5.953 -1.468 -15.298 1.00 0.72 H new ATOM 198 N LEU A 13 -4.874 -3.822 -12.331 1.00 0.25 N ATOM 199 CA LEU A 13 -3.945 -4.920 -12.147 1.00 0.25 C ATOM 200 C LEU A 13 -3.794 -5.251 -10.666 1.00 0.26 C ATOM 201 O LEU A 13 -3.402 -6.359 -10.305 1.00 0.41 O ATOM 202 CB LEU A 13 -2.586 -4.580 -12.770 1.00 0.33 C ATOM 203 CG LEU A 13 -2.553 -4.525 -14.306 1.00 0.41 C ATOM 204 CD1 LEU A 13 -3.061 -5.830 -14.897 1.00 0.45 C ATOM 205 CD2 LEU A 13 -3.355 -3.343 -14.844 1.00 0.40 C ATOM 0 H LEU A 13 -4.446 -2.966 -12.685 1.00 0.25 H new ATOM 0 HA LEU A 13 -4.343 -5.800 -12.653 1.00 0.25 H new ATOM 0 HB2 LEU A 13 -2.261 -3.614 -12.383 1.00 0.33 H new ATOM 0 HB3 LEU A 13 -1.858 -5.319 -12.435 1.00 0.33 H new ATOM 0 HG LEU A 13 -1.516 -4.384 -14.610 1.00 0.41 H new ATOM 0 HD11 LEU A 13 -3.031 -5.773 -15.985 1.00 0.45 H new ATOM 0 HD12 LEU A 13 -2.430 -6.652 -14.559 1.00 0.45 H new ATOM 0 HD13 LEU A 13 -4.087 -6.002 -14.571 1.00 0.45 H new ATOM 0 HD21 LEU A 13 -3.308 -3.337 -15.933 1.00 0.40 H new ATOM 0 HD22 LEU A 13 -4.394 -3.433 -14.526 1.00 0.40 H new ATOM 0 HD23 LEU A 13 -2.937 -2.414 -14.458 1.00 0.40 H new ATOM 217 N GLY A 14 -4.112 -4.285 -9.813 1.00 0.19 N ATOM 218 CA GLY A 14 -4.097 -4.520 -8.384 1.00 0.18 C ATOM 219 C GLY A 14 -3.067 -3.675 -7.698 1.00 0.15 C ATOM 220 O GLY A 14 -2.716 -3.912 -6.556 1.00 0.18 O ATOM 0 H GLY A 14 -4.381 -3.340 -10.088 1.00 0.19 H new ATOM 0 HA2 GLY A 14 -5.081 -4.304 -7.969 1.00 0.18 H new ATOM 0 HA3 GLY A 14 -3.893 -5.573 -8.190 1.00 0.18 H new ATOM 224 N ARG A 15 -2.575 -2.688 -8.405 1.00 0.14 N ATOM 225 CA ARG A 15 -1.554 -1.825 -7.877 1.00 0.13 C ATOM 226 C ARG A 15 -2.134 -0.498 -7.393 1.00 0.14 C ATOM 227 O ARG A 15 -2.717 0.259 -8.163 1.00 0.17 O ATOM 228 CB ARG A 15 -0.482 -1.620 -8.943 1.00 0.13 C ATOM 229 CG ARG A 15 -1.034 -1.181 -10.284 1.00 0.23 C ATOM 230 CD ARG A 15 -0.120 -1.574 -11.426 1.00 0.37 C ATOM 231 NE ARG A 15 -0.705 -1.228 -12.721 1.00 0.86 N ATOM 232 CZ ARG A 15 -0.041 -1.265 -13.876 1.00 1.03 C ATOM 233 NH1 ARG A 15 1.258 -1.529 -13.898 1.00 1.33 N ATOM 234 NH2 ARG A 15 -0.677 -1.005 -15.008 1.00 1.58 N ATOM 0 H ARG A 15 -2.870 -2.463 -9.355 1.00 0.14 H new ATOM 0 HA ARG A 15 -1.102 -2.295 -7.003 1.00 0.13 H new ATOM 0 HB2 ARG A 15 0.230 -0.874 -8.591 1.00 0.13 H new ATOM 0 HB3 ARG A 15 0.070 -2.551 -9.074 1.00 0.13 H new ATOM 0 HG2 ARG A 15 -2.017 -1.627 -10.436 1.00 0.23 H new ATOM 0 HG3 ARG A 15 -1.171 -0.100 -10.284 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.841 -1.073 -11.314 1.00 0.37 H new ATOM 0 HD3 ARG A 15 0.073 -2.646 -11.387 1.00 0.37 H new ATOM 0 HE ARG A 15 -1.683 -0.940 -12.742 1.00 0.86 H new ATOM 0 HH11 ARG A 15 1.757 -1.706 -13.026 1.00 1.33 H new ATOM 0 HH12 ARG A 15 1.758 -1.555 -14.787 1.00 1.33 H new ATOM 0 HH21 ARG A 15 -1.671 -0.778 -14.994 1.00 1.58 H new ATOM 0 HH22 ARG A 15 -0.173 -1.032 -15.894 1.00 1.58 H new ATOM 248 N VAL A 16 -1.950 -0.213 -6.110 1.00 0.14 N ATOM 249 CA VAL A 16 -2.443 1.027 -5.529 1.00 0.14 C ATOM 250 C VAL A 16 -1.424 2.114 -5.790 1.00 0.12 C ATOM 251 O VAL A 16 -0.237 1.931 -5.527 1.00 0.12 O ATOM 252 CB VAL A 16 -2.700 0.902 -3.998 1.00 0.15 C ATOM 253 CG1 VAL A 16 -1.410 0.872 -3.200 1.00 0.15 C ATOM 254 CG2 VAL A 16 -3.606 2.021 -3.509 1.00 0.17 C ATOM 0 H VAL A 16 -1.463 -0.824 -5.454 1.00 0.14 H new ATOM 0 HA VAL A 16 -3.399 1.268 -5.993 1.00 0.14 H new ATOM 0 HB VAL A 16 -3.202 -0.052 -3.836 1.00 0.15 H new ATOM 0 HG11 VAL A 16 -1.641 0.784 -2.138 1.00 0.15 H new ATOM 0 HG12 VAL A 16 -0.809 0.018 -3.513 1.00 0.15 H new ATOM 0 HG13 VAL A 16 -0.852 1.792 -3.375 1.00 0.15 H new ATOM 0 HG21 VAL A 16 -3.771 1.913 -2.437 1.00 0.17 H new ATOM 0 HG22 VAL A 16 -3.135 2.984 -3.708 1.00 0.17 H new ATOM 0 HG23 VAL A 16 -4.562 1.970 -4.031 1.00 0.17 H new ATOM 264 N VAL A 17 -1.858 3.230 -6.342 1.00 0.12 N ATOM 265 CA VAL A 17 -0.914 4.271 -6.693 1.00 0.11 C ATOM 266 C VAL A 17 -0.489 5.009 -5.441 1.00 0.10 C ATOM 267 O VAL A 17 -1.064 6.036 -5.075 1.00 0.12 O ATOM 268 CB VAL A 17 -1.474 5.267 -7.728 1.00 0.14 C ATOM 269 CG1 VAL A 17 -0.369 6.169 -8.261 1.00 0.16 C ATOM 270 CG2 VAL A 17 -2.177 4.538 -8.863 1.00 0.19 C ATOM 0 H VAL A 17 -2.834 3.437 -6.553 1.00 0.12 H new ATOM 0 HA VAL A 17 -0.056 3.786 -7.158 1.00 0.11 H new ATOM 0 HB VAL A 17 -2.212 5.894 -7.228 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.786 6.864 -8.990 1.00 0.16 H new ATOM 0 HG12 VAL A 17 0.073 6.729 -7.437 1.00 0.16 H new ATOM 0 HG13 VAL A 17 0.399 5.560 -8.738 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -2.562 5.264 -9.579 1.00 0.19 H new ATOM 0 HG22 VAL A 17 -1.470 3.876 -9.363 1.00 0.19 H new ATOM 0 HG23 VAL A 17 -3.003 3.951 -8.462 1.00 0.19 H new ATOM 280 N ILE A 18 0.500 4.443 -4.771 1.00 0.10 N ATOM 281 CA ILE A 18 1.045 5.035 -3.582 1.00 0.10 C ATOM 282 C ILE A 18 1.752 6.332 -3.945 1.00 0.10 C ATOM 283 O ILE A 18 2.623 6.351 -4.814 1.00 0.11 O ATOM 284 CB ILE A 18 2.002 4.083 -2.824 1.00 0.12 C ATOM 285 CG1 ILE A 18 2.993 4.872 -1.955 1.00 0.15 C ATOM 286 CG2 ILE A 18 2.738 3.151 -3.774 1.00 0.14 C ATOM 287 CD1 ILE A 18 3.745 4.020 -0.961 1.00 0.20 C ATOM 0 H ILE A 18 0.940 3.564 -5.042 1.00 0.10 H new ATOM 0 HA ILE A 18 0.218 5.240 -2.903 1.00 0.10 H new ATOM 0 HB ILE A 18 1.390 3.465 -2.167 1.00 0.12 H new ATOM 0 HG12 ILE A 18 3.710 5.375 -2.604 1.00 0.15 H new ATOM 0 HG13 ILE A 18 2.451 5.649 -1.416 1.00 0.15 H new ATOM 0 HG21 ILE A 18 3.400 2.499 -3.204 1.00 0.14 H new ATOM 0 HG22 ILE A 18 2.016 2.546 -4.322 1.00 0.14 H new ATOM 0 HG23 ILE A 18 3.327 3.739 -4.478 1.00 0.14 H new ATOM 0 HD11 ILE A 18 4.425 4.648 -0.385 1.00 0.20 H new ATOM 0 HD12 ILE A 18 3.037 3.537 -0.287 1.00 0.20 H new ATOM 0 HD13 ILE A 18 4.316 3.259 -1.493 1.00 0.20 H new ATOM 299 N PRO A 19 1.366 7.434 -3.308 1.00 0.14 N ATOM 300 CA PRO A 19 1.865 8.756 -3.665 1.00 0.17 C ATOM 301 C PRO A 19 3.381 8.857 -3.629 1.00 0.18 C ATOM 302 O PRO A 19 4.037 8.334 -2.722 1.00 0.15 O ATOM 303 CB PRO A 19 1.252 9.668 -2.611 1.00 0.22 C ATOM 304 CG PRO A 19 0.038 8.936 -2.150 1.00 0.22 C ATOM 305 CD PRO A 19 0.409 7.485 -2.192 1.00 0.19 C ATOM 0 HA PRO A 19 1.596 9.014 -4.689 1.00 0.17 H new ATOM 0 HB2 PRO A 19 1.945 9.847 -1.789 1.00 0.22 H new ATOM 0 HB3 PRO A 19 0.995 10.641 -3.029 1.00 0.22 H new ATOM 0 HG2 PRO A 19 -0.245 9.240 -1.142 1.00 0.22 H new ATOM 0 HG3 PRO A 19 -0.815 9.142 -2.797 1.00 0.22 H new ATOM 0 HD2 PRO A 19 0.859 7.154 -1.256 1.00 0.19 H new ATOM 0 HD3 PRO A 19 -0.458 6.849 -2.371 1.00 0.19 H new ATOM 313 N ILE A 20 3.913 9.556 -4.621 1.00 0.24 N ATOM 314 CA ILE A 20 5.341 9.824 -4.732 1.00 0.27 C ATOM 315 C ILE A 20 5.896 10.385 -3.431 1.00 0.27 C ATOM 316 O ILE A 20 7.010 10.075 -3.022 1.00 0.26 O ATOM 317 CB ILE A 20 5.598 10.847 -5.857 1.00 0.39 C ATOM 318 CG1 ILE A 20 4.792 12.137 -5.613 1.00 0.47 C ATOM 319 CG2 ILE A 20 5.252 10.240 -7.206 1.00 0.44 C ATOM 320 CD1 ILE A 20 5.616 13.273 -5.043 1.00 0.51 C ATOM 0 H ILE A 20 3.361 9.957 -5.379 1.00 0.24 H new ATOM 0 HA ILE A 20 5.840 8.881 -4.956 1.00 0.27 H new ATOM 0 HB ILE A 20 6.656 11.107 -5.857 1.00 0.39 H new ATOM 0 HG12 ILE A 20 4.347 12.460 -6.554 1.00 0.47 H new ATOM 0 HG13 ILE A 20 3.971 11.918 -4.931 1.00 0.47 H new ATOM 0 HG21 ILE A 20 5.437 10.972 -7.992 1.00 0.44 H new ATOM 0 HG22 ILE A 20 5.870 9.358 -7.377 1.00 0.44 H new ATOM 0 HG23 ILE A 20 4.200 9.954 -7.217 1.00 0.44 H new ATOM 0 HD11 ILE A 20 4.980 14.147 -4.899 1.00 0.51 H new ATOM 0 HD12 ILE A 20 6.040 12.970 -4.085 1.00 0.51 H new ATOM 0 HD13 ILE A 20 6.422 13.521 -5.734 1.00 0.51 H new ATOM 332 N GLU A 21 5.079 11.185 -2.782 1.00 0.31 N ATOM 333 CA GLU A 21 5.473 11.911 -1.597 1.00 0.35 C ATOM 334 C GLU A 21 5.667 10.966 -0.429 1.00 0.31 C ATOM 335 O GLU A 21 6.575 11.133 0.392 1.00 0.32 O ATOM 336 CB GLU A 21 4.419 12.970 -1.283 1.00 0.42 C ATOM 337 CG GLU A 21 3.009 12.544 -1.672 1.00 0.62 C ATOM 338 CD GLU A 21 2.007 13.666 -1.543 1.00 0.61 C ATOM 339 OE1 GLU A 21 1.878 14.236 -0.439 1.00 1.33 O ATOM 340 OE2 GLU A 21 1.353 13.992 -2.555 1.00 1.17 O ATOM 0 H GLU A 21 4.113 11.351 -3.066 1.00 0.31 H new ATOM 0 HA GLU A 21 6.428 12.406 -1.776 1.00 0.35 H new ATOM 0 HB2 GLU A 21 4.443 13.193 -0.216 1.00 0.42 H new ATOM 0 HB3 GLU A 21 4.671 13.892 -1.807 1.00 0.42 H new ATOM 0 HG2 GLU A 21 3.013 12.182 -2.700 1.00 0.62 H new ATOM 0 HG3 GLU A 21 2.699 11.710 -1.042 1.00 0.62 H new ATOM 347 N LEU A 22 4.836 9.949 -0.371 1.00 0.28 N ATOM 348 CA LEU A 22 4.945 8.977 0.685 1.00 0.27 C ATOM 349 C LEU A 22 6.155 8.094 0.483 1.00 0.24 C ATOM 350 O LEU A 22 6.916 7.865 1.416 1.00 0.26 O ATOM 351 CB LEU A 22 3.682 8.151 0.798 1.00 0.27 C ATOM 352 CG LEU A 22 2.588 8.838 1.592 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.753 9.744 0.710 1.00 0.34 C ATOM 354 CD2 LEU A 22 1.722 7.810 2.289 1.00 0.32 C ATOM 0 H LEU A 22 4.084 9.777 -1.039 1.00 0.28 H new ATOM 0 HA LEU A 22 5.075 9.516 1.624 1.00 0.27 H new ATOM 0 HB2 LEU A 22 3.311 7.928 -0.202 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.920 7.198 1.269 1.00 0.27 H new ATOM 0 HG LEU A 22 3.059 9.465 2.349 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.978 10.221 1.309 1.00 0.34 H new ATOM 0 HD12 LEU A 22 2.391 10.508 0.266 1.00 0.34 H new ATOM 0 HD13 LEU A 22 1.289 9.155 -0.081 1.00 0.34 H new ATOM 0 HD21 LEU A 22 0.941 8.316 2.855 1.00 0.32 H new ATOM 0 HD22 LEU A 22 1.266 7.155 1.547 1.00 0.32 H new ATOM 0 HD23 LEU A 22 2.336 7.217 2.967 1.00 0.32 H new ATOM 366 N ARG A 23 6.377 7.645 -0.747 1.00 0.20 N ATOM 367 CA ARG A 23 7.542 6.824 -1.037 1.00 0.19 C ATOM 368 C ARG A 23 8.789 7.675 -0.873 1.00 0.19 C ATOM 369 O ARG A 23 9.885 7.173 -0.656 1.00 0.20 O ATOM 370 CB ARG A 23 7.444 6.221 -2.453 1.00 0.21 C ATOM 371 CG ARG A 23 7.605 7.233 -3.580 1.00 0.28 C ATOM 372 CD ARG A 23 9.067 7.399 -3.978 1.00 0.31 C ATOM 373 NE ARG A 23 9.383 8.755 -4.423 1.00 0.70 N ATOM 374 CZ ARG A 23 10.628 9.197 -4.616 1.00 0.89 C ATOM 375 NH1 ARG A 23 11.664 8.401 -4.389 1.00 0.91 N ATOM 376 NH2 ARG A 23 10.838 10.444 -5.014 1.00 1.38 N ATOM 0 H ARG A 23 5.774 7.833 -1.548 1.00 0.20 H new ATOM 0 HA ARG A 23 7.591 5.987 -0.340 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.208 5.451 -2.561 1.00 0.21 H new ATOM 0 HB3 ARG A 23 6.478 5.728 -2.559 1.00 0.21 H new ATOM 0 HG2 ARG A 23 7.026 6.911 -4.445 1.00 0.28 H new ATOM 0 HG3 ARG A 23 7.201 8.195 -3.266 1.00 0.28 H new ATOM 0 HD2 ARG A 23 9.701 7.143 -3.129 1.00 0.31 H new ATOM 0 HD3 ARG A 23 9.304 6.695 -4.776 1.00 0.31 H new ATOM 0 HE ARG A 23 8.611 9.398 -4.595 1.00 0.70 H new ATOM 0 HH11 ARG A 23 11.512 7.446 -4.065 1.00 0.91 H new ATOM 0 HH12 ARG A 23 12.613 8.744 -4.538 1.00 0.91 H new ATOM 0 HH21 ARG A 23 10.047 11.068 -5.174 1.00 1.38 H new ATOM 0 HH22 ARG A 23 11.790 10.779 -5.161 1.00 1.38 H new ATOM 390 N ARG A 24 8.583 8.974 -0.949 1.00 0.22 N ATOM 391 CA ARG A 24 9.626 9.952 -0.725 1.00 0.25 C ATOM 392 C ARG A 24 9.841 10.133 0.765 1.00 0.26 C ATOM 393 O ARG A 24 10.915 10.534 1.215 1.00 0.30 O ATOM 394 CB ARG A 24 9.202 11.252 -1.389 1.00 0.32 C ATOM 395 CG ARG A 24 10.021 12.466 -1.013 1.00 0.35 C ATOM 396 CD ARG A 24 9.423 13.164 0.197 1.00 0.69 C ATOM 397 NE ARG A 24 10.104 14.414 0.509 1.00 0.77 N ATOM 398 CZ ARG A 24 11.151 14.514 1.326 1.00 1.12 C ATOM 399 NH1 ARG A 24 11.705 13.417 1.842 1.00 1.94 N ATOM 400 NH2 ARG A 24 11.650 15.711 1.607 1.00 1.19 N ATOM 0 H ARG A 24 7.676 9.384 -1.171 1.00 0.22 H new ATOM 0 HA ARG A 24 10.571 9.623 -1.156 1.00 0.25 H new ATOM 0 HB2 ARG A 24 9.251 11.122 -2.470 1.00 0.32 H new ATOM 0 HB3 ARG A 24 8.159 11.446 -1.138 1.00 0.32 H new ATOM 0 HG2 ARG A 24 11.046 12.166 -0.796 1.00 0.35 H new ATOM 0 HG3 ARG A 24 10.062 13.158 -1.854 1.00 0.35 H new ATOM 0 HD2 ARG A 24 8.368 13.364 0.013 1.00 0.69 H new ATOM 0 HD3 ARG A 24 9.476 12.499 1.059 1.00 0.69 H new ATOM 0 HE ARG A 24 9.756 15.268 0.073 1.00 0.77 H new ATOM 0 HH11 ARG A 24 11.327 12.498 1.611 1.00 1.94 H new ATOM 0 HH12 ARG A 24 12.507 13.496 2.467 1.00 1.94 H new ATOM 0 HH21 ARG A 24 11.232 16.547 1.198 1.00 1.19 H new ATOM 0 HH22 ARG A 24 12.452 15.795 2.232 1.00 1.19 H new ATOM 414 N THR A 25 8.802 9.835 1.528 1.00 0.28 N ATOM 415 CA THR A 25 8.882 9.899 2.968 1.00 0.34 C ATOM 416 C THR A 25 9.756 8.773 3.487 1.00 0.32 C ATOM 417 O THR A 25 10.583 8.969 4.378 1.00 0.36 O ATOM 418 CB THR A 25 7.491 9.817 3.621 1.00 0.39 C ATOM 419 OG1 THR A 25 6.678 10.919 3.186 1.00 0.43 O ATOM 420 CG2 THR A 25 7.603 9.831 5.137 1.00 0.48 C ATOM 0 H THR A 25 7.893 9.546 1.167 1.00 0.28 H new ATOM 0 HA THR A 25 9.321 10.861 3.233 1.00 0.34 H new ATOM 0 HB THR A 25 7.026 8.880 3.316 1.00 0.39 H new ATOM 0 HG1 THR A 25 6.647 10.936 2.207 1.00 0.43 H new ATOM 0 HG21 THR A 25 6.607 9.772 5.576 1.00 0.48 H new ATOM 0 HG22 THR A 25 8.196 8.977 5.466 1.00 0.48 H new ATOM 0 HG23 THR A 25 8.087 10.754 5.458 1.00 0.48 H new ATOM 428 N LEU A 26 9.573 7.592 2.911 1.00 0.29 N ATOM 429 CA LEU A 26 10.381 6.443 3.292 1.00 0.32 C ATOM 430 C LEU A 26 11.714 6.498 2.554 1.00 0.30 C ATOM 431 O LEU A 26 12.695 5.871 2.955 1.00 0.38 O ATOM 432 CB LEU A 26 9.676 5.117 2.977 1.00 0.38 C ATOM 433 CG LEU A 26 8.215 4.965 3.435 1.00 0.47 C ATOM 434 CD1 LEU A 26 7.860 5.902 4.580 1.00 0.58 C ATOM 435 CD2 LEU A 26 7.274 5.154 2.266 1.00 0.56 C ATOM 0 H LEU A 26 8.880 7.406 2.186 1.00 0.29 H new ATOM 0 HA LEU A 26 10.540 6.487 4.369 1.00 0.32 H new ATOM 0 HB2 LEU A 26 9.708 4.967 1.898 1.00 0.38 H new ATOM 0 HB3 LEU A 26 10.256 4.312 3.428 1.00 0.38 H new ATOM 0 HG LEU A 26 8.101 3.951 3.819 1.00 0.47 H new ATOM 0 HD11 LEU A 26 6.818 5.752 4.863 1.00 0.58 H new ATOM 0 HD12 LEU A 26 8.502 5.691 5.435 1.00 0.58 H new ATOM 0 HD13 LEU A 26 8.005 6.935 4.263 1.00 0.58 H new ATOM 0 HD21 LEU A 26 6.244 5.043 2.606 1.00 0.56 H new ATOM 0 HD22 LEU A 26 7.412 6.150 1.845 1.00 0.56 H new ATOM 0 HD23 LEU A 26 7.486 4.405 1.503 1.00 0.56 H new ATOM 447 N GLY A 27 11.730 7.265 1.470 1.00 0.24 N ATOM 448 CA GLY A 27 12.915 7.394 0.644 1.00 0.26 C ATOM 449 C GLY A 27 13.117 6.190 -0.258 1.00 0.30 C ATOM 450 O GLY A 27 14.212 5.956 -0.769 1.00 0.42 O ATOM 0 H GLY A 27 10.930 7.808 1.145 1.00 0.24 H new ATOM 0 HA2 GLY A 27 12.835 8.294 0.034 1.00 0.26 H new ATOM 0 HA3 GLY A 27 13.790 7.519 1.283 1.00 0.26 H new ATOM 454 N ILE A 28 12.051 5.419 -0.435 1.00 0.28 N ATOM 455 CA ILE A 28 12.034 4.313 -1.382 1.00 0.32 C ATOM 456 C ILE A 28 11.772 4.855 -2.786 1.00 0.26 C ATOM 457 O ILE A 28 12.004 6.034 -3.057 1.00 0.29 O ATOM 458 CB ILE A 28 10.937 3.291 -1.019 1.00 0.38 C ATOM 459 CG1 ILE A 28 9.568 3.943 -1.140 1.00 0.41 C ATOM 460 CG2 ILE A 28 11.158 2.745 0.384 1.00 0.70 C ATOM 461 CD1 ILE A 28 8.428 2.970 -1.031 1.00 0.49 C ATOM 0 H ILE A 28 11.176 5.543 0.074 1.00 0.28 H new ATOM 0 HA ILE A 28 13.001 3.811 -1.345 1.00 0.32 H new ATOM 0 HB ILE A 28 10.987 2.453 -1.714 1.00 0.38 H new ATOM 0 HG12 ILE A 28 9.465 4.700 -0.362 1.00 0.41 H new ATOM 0 HG13 ILE A 28 9.504 4.460 -2.098 1.00 0.41 H new ATOM 0 HG21 ILE A 28 10.374 2.026 0.622 1.00 0.70 H new ATOM 0 HG22 ILE A 28 12.129 2.253 0.434 1.00 0.70 H new ATOM 0 HG23 ILE A 28 11.129 3.564 1.102 1.00 0.70 H new ATOM 0 HD11 ILE A 28 7.483 3.505 -1.126 1.00 0.49 H new ATOM 0 HD12 ILE A 28 8.506 2.227 -1.825 1.00 0.49 H new ATOM 0 HD13 ILE A 28 8.467 2.471 -0.063 1.00 0.49 H new ATOM 473 N ALA A 29 11.254 4.014 -3.666 1.00 0.23 N ATOM 474 CA ALA A 29 10.998 4.417 -5.036 1.00 0.25 C ATOM 475 C ALA A 29 10.021 3.474 -5.713 1.00 0.25 C ATOM 476 O ALA A 29 9.591 2.487 -5.133 1.00 0.28 O ATOM 477 CB ALA A 29 12.299 4.484 -5.823 1.00 0.31 C ATOM 0 H ALA A 29 11.003 3.048 -3.455 1.00 0.23 H new ATOM 0 HA ALA A 29 10.548 5.410 -5.014 1.00 0.25 H new ATOM 0 HB1 ALA A 29 12.089 4.788 -6.848 1.00 0.31 H new ATOM 0 HB2 ALA A 29 12.968 5.209 -5.360 1.00 0.31 H new ATOM 0 HB3 ALA A 29 12.774 3.503 -5.825 1.00 0.31 H new ATOM 483 N GLU A 30 9.675 3.807 -6.941 1.00 0.24 N ATOM 484 CA GLU A 30 8.787 2.992 -7.758 1.00 0.26 C ATOM 485 C GLU A 30 9.427 1.648 -8.079 1.00 0.24 C ATOM 486 O GLU A 30 8.786 0.603 -8.034 1.00 0.26 O ATOM 487 CB GLU A 30 8.482 3.753 -9.052 1.00 0.35 C ATOM 488 CG GLU A 30 9.754 4.196 -9.772 1.00 0.44 C ATOM 489 CD GLU A 30 9.513 5.064 -10.984 1.00 1.17 C ATOM 490 OE1 GLU A 30 9.273 6.277 -10.808 1.00 2.00 O ATOM 491 OE2 GLU A 30 9.608 4.550 -12.117 1.00 1.68 O ATOM 0 H GLU A 30 10.002 4.654 -7.406 1.00 0.24 H new ATOM 0 HA GLU A 30 7.865 2.799 -7.209 1.00 0.26 H new ATOM 0 HB2 GLU A 30 7.893 3.119 -9.715 1.00 0.35 H new ATOM 0 HB3 GLU A 30 7.873 4.627 -8.823 1.00 0.35 H new ATOM 0 HG2 GLU A 30 10.384 4.741 -9.069 1.00 0.44 H new ATOM 0 HG3 GLU A 30 10.311 3.311 -10.079 1.00 0.44 H new ATOM 498 N LYS A 31 10.707 1.687 -8.378 1.00 0.25 N ATOM 499 CA LYS A 31 11.453 0.492 -8.708 1.00 0.25 C ATOM 500 C LYS A 31 11.759 -0.289 -7.442 1.00 0.23 C ATOM 501 O LYS A 31 12.355 -1.363 -7.488 1.00 0.28 O ATOM 502 CB LYS A 31 12.751 0.880 -9.411 1.00 0.30 C ATOM 503 CG LYS A 31 12.583 1.994 -10.433 1.00 0.41 C ATOM 504 CD LYS A 31 12.170 1.480 -11.803 1.00 0.50 C ATOM 505 CE LYS A 31 10.728 0.997 -11.827 1.00 0.44 C ATOM 506 NZ LYS A 31 10.260 0.723 -13.211 1.00 0.67 N ATOM 0 H LYS A 31 11.259 2.545 -8.399 1.00 0.25 H new ATOM 0 HA LYS A 31 10.859 -0.135 -9.374 1.00 0.25 H new ATOM 0 HB2 LYS A 31 13.480 1.192 -8.663 1.00 0.30 H new ATOM 0 HB3 LYS A 31 13.161 0.001 -9.909 1.00 0.30 H new ATOM 0 HG2 LYS A 31 11.834 2.700 -10.074 1.00 0.41 H new ATOM 0 HG3 LYS A 31 13.521 2.542 -10.523 1.00 0.41 H new ATOM 0 HD2 LYS A 31 12.298 2.273 -12.540 1.00 0.50 H new ATOM 0 HD3 LYS A 31 12.829 0.663 -12.096 1.00 0.50 H new ATOM 0 HE2 LYS A 31 10.638 0.091 -11.227 1.00 0.44 H new ATOM 0 HE3 LYS A 31 10.085 1.748 -11.368 1.00 0.44 H new ATOM 0 HZ1 LYS A 31 9.348 0.224 -13.177 1.00 0.67 H new ATOM 0 HZ2 LYS A 31 10.144 1.621 -13.722 1.00 0.67 H new ATOM 0 HZ3 LYS A 31 10.960 0.132 -13.703 1.00 0.67 H new ATOM 520 N ASP A 32 11.334 0.255 -6.308 1.00 0.20 N ATOM 521 CA ASP A 32 11.624 -0.335 -5.033 1.00 0.19 C ATOM 522 C ASP A 32 10.584 -1.397 -4.705 1.00 0.18 C ATOM 523 O ASP A 32 9.635 -1.602 -5.466 1.00 0.25 O ATOM 524 CB ASP A 32 11.661 0.759 -3.970 1.00 0.20 C ATOM 525 CG ASP A 32 12.435 0.365 -2.730 1.00 0.64 C ATOM 526 OD1 ASP A 32 13.666 0.582 -2.707 1.00 1.00 O ATOM 527 OD2 ASP A 32 11.825 -0.158 -1.786 1.00 1.65 O ATOM 0 H ASP A 32 10.783 1.112 -6.260 1.00 0.20 H new ATOM 0 HA ASP A 32 12.599 -0.822 -5.059 1.00 0.19 H new ATOM 0 HB2 ASP A 32 12.107 1.657 -4.398 1.00 0.20 H new ATOM 0 HB3 ASP A 32 10.640 1.015 -3.686 1.00 0.20 H new ATOM 532 N ALA A 33 10.771 -2.078 -3.595 1.00 0.16 N ATOM 533 CA ALA A 33 9.861 -3.126 -3.181 1.00 0.15 C ATOM 534 C ALA A 33 9.412 -2.842 -1.763 1.00 0.17 C ATOM 535 O ALA A 33 10.172 -2.331 -0.948 1.00 0.26 O ATOM 536 CB ALA A 33 10.525 -4.497 -3.266 1.00 0.18 C ATOM 0 H ALA A 33 11.552 -1.923 -2.958 1.00 0.16 H new ATOM 0 HA ALA A 33 9.000 -3.140 -3.849 1.00 0.15 H new ATOM 0 HB1 ALA A 33 9.818 -5.264 -2.949 1.00 0.18 H new ATOM 0 HB2 ALA A 33 10.832 -4.689 -4.294 1.00 0.18 H new ATOM 0 HB3 ALA A 33 11.399 -4.519 -2.616 1.00 0.18 H new ATOM 542 N LEU A 34 8.188 -3.174 -1.467 1.00 0.14 N ATOM 543 CA LEU A 34 7.632 -2.897 -0.174 1.00 0.14 C ATOM 544 C LEU A 34 7.149 -4.185 0.422 1.00 0.13 C ATOM 545 O LEU A 34 6.440 -4.944 -0.230 1.00 0.13 O ATOM 546 CB LEU A 34 6.487 -1.902 -0.301 1.00 0.15 C ATOM 547 CG LEU A 34 6.917 -0.483 -0.664 1.00 0.15 C ATOM 548 CD1 LEU A 34 5.703 0.375 -0.990 1.00 0.22 C ATOM 549 CD2 LEU A 34 7.701 0.124 0.487 1.00 0.27 C ATOM 0 H LEU A 34 7.550 -3.642 -2.111 1.00 0.14 H new ATOM 0 HA LEU A 34 8.390 -2.457 0.474 1.00 0.14 H new ATOM 0 HB2 LEU A 34 5.792 -2.262 -1.059 1.00 0.15 H new ATOM 0 HB3 LEU A 34 5.942 -1.873 0.643 1.00 0.15 H new ATOM 0 HG LEU A 34 7.554 -0.521 -1.548 1.00 0.15 H new ATOM 0 HD11 LEU A 34 6.028 1.383 -1.246 1.00 0.22 H new ATOM 0 HD12 LEU A 34 5.167 -0.059 -1.834 1.00 0.22 H new ATOM 0 HD13 LEU A 34 5.043 0.416 -0.123 1.00 0.22 H new ATOM 0 HD21 LEU A 34 8.007 1.137 0.225 1.00 0.27 H new ATOM 0 HD22 LEU A 34 7.075 0.153 1.379 1.00 0.27 H new ATOM 0 HD23 LEU A 34 8.585 -0.482 0.685 1.00 0.27 H new ATOM 561 N GLU A 35 7.533 -4.431 1.644 1.00 0.15 N ATOM 562 CA GLU A 35 7.165 -5.632 2.317 1.00 0.15 C ATOM 563 C GLU A 35 5.847 -5.386 3.006 1.00 0.13 C ATOM 564 O GLU A 35 5.771 -4.709 4.036 1.00 0.14 O ATOM 565 CB GLU A 35 8.252 -6.029 3.302 1.00 0.21 C ATOM 566 CG GLU A 35 8.178 -7.482 3.694 1.00 0.27 C ATOM 567 CD GLU A 35 9.385 -7.938 4.489 1.00 0.42 C ATOM 568 OE1 GLU A 35 9.379 -7.787 5.726 1.00 1.06 O ATOM 569 OE2 GLU A 35 10.345 -8.447 3.876 1.00 1.11 O ATOM 0 H GLU A 35 8.111 -3.799 2.197 1.00 0.15 H new ATOM 0 HA GLU A 35 7.055 -6.458 1.615 1.00 0.15 H new ATOM 0 HB2 GLU A 35 9.228 -5.825 2.862 1.00 0.21 H new ATOM 0 HB3 GLU A 35 8.170 -5.411 4.196 1.00 0.21 H new ATOM 0 HG2 GLU A 35 7.276 -7.649 4.283 1.00 0.27 H new ATOM 0 HG3 GLU A 35 8.089 -8.092 2.795 1.00 0.27 H new ATOM 576 N ILE A 36 4.803 -5.879 2.380 1.00 0.11 N ATOM 577 CA ILE A 36 3.457 -5.594 2.817 1.00 0.10 C ATOM 578 C ILE A 36 2.960 -6.600 3.852 1.00 0.10 C ATOM 579 O ILE A 36 3.124 -7.814 3.718 1.00 0.11 O ATOM 580 CB ILE A 36 2.499 -5.571 1.619 1.00 0.10 C ATOM 581 CG1 ILE A 36 2.873 -4.448 0.653 1.00 0.12 C ATOM 582 CG2 ILE A 36 1.060 -5.425 2.084 1.00 0.11 C ATOM 583 CD1 ILE A 36 3.405 -4.955 -0.666 1.00 0.11 C ATOM 0 H ILE A 36 4.862 -6.484 1.561 1.00 0.11 H new ATOM 0 HA ILE A 36 3.478 -4.612 3.290 1.00 0.10 H new ATOM 0 HB ILE A 36 2.590 -6.520 1.090 1.00 0.10 H new ATOM 0 HG12 ILE A 36 1.996 -3.827 0.470 1.00 0.12 H new ATOM 0 HG13 ILE A 36 3.623 -3.810 1.120 1.00 0.12 H new ATOM 0 HG21 ILE A 36 0.398 -5.411 1.218 1.00 0.11 H new ATOM 0 HG22 ILE A 36 0.799 -6.265 2.727 1.00 0.11 H new ATOM 0 HG23 ILE A 36 0.950 -4.494 2.640 1.00 0.11 H new ATOM 0 HD11 ILE A 36 3.652 -4.109 -1.308 1.00 0.11 H new ATOM 0 HD12 ILE A 36 4.300 -5.552 -0.492 1.00 0.11 H new ATOM 0 HD13 ILE A 36 2.647 -5.570 -1.152 1.00 0.11 H new ATOM 595 N TYR A 37 2.346 -6.061 4.882 1.00 0.11 N ATOM 596 CA TYR A 37 1.768 -6.837 5.960 1.00 0.14 C ATOM 597 C TYR A 37 0.322 -6.402 6.128 1.00 0.14 C ATOM 598 O TYR A 37 -0.154 -5.547 5.389 1.00 0.13 O ATOM 599 CB TYR A 37 2.503 -6.594 7.283 1.00 0.20 C ATOM 600 CG TYR A 37 4.003 -6.439 7.188 1.00 0.40 C ATOM 601 CD1 TYR A 37 4.845 -7.541 7.100 1.00 1.39 C ATOM 602 CD2 TYR A 37 4.576 -5.178 7.233 1.00 1.18 C ATOM 603 CE1 TYR A 37 6.218 -7.385 7.054 1.00 1.54 C ATOM 604 CE2 TYR A 37 5.943 -5.014 7.180 1.00 1.25 C ATOM 605 CZ TYR A 37 6.761 -6.116 7.095 1.00 0.87 C ATOM 606 OH TYR A 37 8.125 -5.949 7.064 1.00 1.11 O ATOM 0 H TYR A 37 2.232 -5.054 4.997 1.00 0.11 H new ATOM 0 HA TYR A 37 1.847 -7.896 5.712 1.00 0.14 H new ATOM 0 HB2 TYR A 37 2.093 -5.695 7.744 1.00 0.20 H new ATOM 0 HB3 TYR A 37 2.285 -7.424 7.955 1.00 0.20 H new ATOM 0 HD1 TYR A 37 4.421 -8.534 7.067 1.00 1.39 H new ATOM 0 HD2 TYR A 37 3.940 -4.309 7.311 1.00 1.18 H new ATOM 0 HE1 TYR A 37 6.861 -8.250 6.986 1.00 1.54 H new ATOM 0 HE2 TYR A 37 6.371 -4.023 7.205 1.00 1.25 H new ATOM 0 HH TYR A 37 8.492 -6.403 6.277 1.00 1.11 H new ATOM 616 N VAL A 38 -0.369 -7.001 7.081 1.00 0.16 N ATOM 617 CA VAL A 38 -1.712 -6.572 7.462 1.00 0.17 C ATOM 618 C VAL A 38 -1.934 -6.807 8.950 1.00 0.20 C ATOM 619 O VAL A 38 -1.556 -7.841 9.494 1.00 0.26 O ATOM 620 CB VAL A 38 -2.829 -7.282 6.643 1.00 0.18 C ATOM 621 CG1 VAL A 38 -4.176 -7.203 7.355 1.00 0.21 C ATOM 622 CG2 VAL A 38 -2.946 -6.693 5.244 1.00 0.21 C ATOM 0 H VAL A 38 -0.020 -7.797 7.615 1.00 0.16 H new ATOM 0 HA VAL A 38 -1.778 -5.507 7.238 1.00 0.17 H new ATOM 0 HB VAL A 38 -2.545 -8.331 6.556 1.00 0.18 H new ATOM 0 HG11 VAL A 38 -4.934 -7.708 6.757 1.00 0.21 H new ATOM 0 HG12 VAL A 38 -4.101 -7.686 8.329 1.00 0.21 H new ATOM 0 HG13 VAL A 38 -4.456 -6.158 7.489 1.00 0.21 H new ATOM 0 HG21 VAL A 38 -3.734 -7.210 4.697 1.00 0.21 H new ATOM 0 HG22 VAL A 38 -3.188 -5.633 5.315 1.00 0.21 H new ATOM 0 HG23 VAL A 38 -1.999 -6.815 4.718 1.00 0.21 H new ATOM 632 N ASP A 39 -2.538 -5.832 9.597 1.00 0.20 N ATOM 633 CA ASP A 39 -2.845 -5.909 11.011 1.00 0.23 C ATOM 634 C ASP A 39 -4.344 -5.792 11.200 1.00 0.28 C ATOM 635 O ASP A 39 -4.939 -4.788 10.812 1.00 0.35 O ATOM 636 CB ASP A 39 -2.114 -4.801 11.774 1.00 0.37 C ATOM 637 CG ASP A 39 -2.379 -4.852 13.263 1.00 0.98 C ATOM 638 OD1 ASP A 39 -1.929 -5.815 13.923 1.00 1.74 O ATOM 639 OD2 ASP A 39 -3.042 -3.933 13.783 1.00 1.60 O ATOM 0 H ASP A 39 -2.831 -4.960 9.156 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.509 -6.867 11.407 1.00 0.23 H new ATOM 0 HB2 ASP A 39 -1.042 -4.887 11.596 1.00 0.37 H new ATOM 0 HB3 ASP A 39 -2.424 -3.831 11.386 1.00 0.37 H new ATOM 644 N ASP A 40 -4.947 -6.837 11.768 1.00 0.42 N ATOM 645 CA ASP A 40 -6.403 -6.947 11.882 1.00 0.57 C ATOM 646 C ASP A 40 -7.040 -7.047 10.507 1.00 0.48 C ATOM 647 O ASP A 40 -7.307 -8.137 10.002 1.00 0.58 O ATOM 648 CB ASP A 40 -7.014 -5.753 12.627 1.00 0.73 C ATOM 649 CG ASP A 40 -6.978 -5.908 14.130 1.00 1.26 C ATOM 650 OD1 ASP A 40 -7.794 -6.682 14.666 1.00 1.73 O ATOM 651 OD2 ASP A 40 -6.143 -5.247 14.781 1.00 2.01 O ATOM 0 H ASP A 40 -4.441 -7.630 12.162 1.00 0.42 H new ATOM 0 HA ASP A 40 -6.606 -7.852 12.454 1.00 0.57 H new ATOM 0 HB2 ASP A 40 -6.477 -4.846 12.349 1.00 0.73 H new ATOM 0 HB3 ASP A 40 -8.048 -5.623 12.306 1.00 0.73 H new ATOM 656 N GLU A 41 -7.249 -5.891 9.903 1.00 0.41 N ATOM 657 CA GLU A 41 -7.900 -5.790 8.616 1.00 0.45 C ATOM 658 C GLU A 41 -7.271 -4.669 7.804 1.00 0.37 C ATOM 659 O GLU A 41 -7.862 -4.177 6.843 1.00 0.44 O ATOM 660 CB GLU A 41 -9.389 -5.501 8.814 1.00 0.65 C ATOM 661 CG GLU A 41 -9.645 -4.274 9.674 1.00 0.76 C ATOM 662 CD GLU A 41 -11.076 -3.786 9.590 1.00 1.05 C ATOM 663 OE1 GLU A 41 -11.386 -2.989 8.678 1.00 1.67 O ATOM 664 OE2 GLU A 41 -11.899 -4.187 10.440 1.00 1.40 O ATOM 0 H GLU A 41 -6.969 -4.993 10.297 1.00 0.41 H new ATOM 0 HA GLU A 41 -7.780 -6.732 8.082 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -9.859 -5.361 7.841 1.00 0.65 H new ATOM 0 HB3 GLU A 41 -9.864 -6.367 9.275 1.00 0.65 H new ATOM 0 HG2 GLU A 41 -9.406 -4.507 10.712 1.00 0.76 H new ATOM 0 HG3 GLU A 41 -8.974 -3.473 9.364 1.00 0.76 H new ATOM 671 N LYS A 42 -6.074 -4.250 8.190 1.00 0.27 N ATOM 672 CA LYS A 42 -5.443 -3.139 7.515 1.00 0.25 C ATOM 673 C LYS A 42 -4.062 -3.481 7.016 1.00 0.19 C ATOM 674 O LYS A 42 -3.357 -4.285 7.600 1.00 0.19 O ATOM 675 CB LYS A 42 -5.390 -1.907 8.419 1.00 0.30 C ATOM 676 CG LYS A 42 -4.422 -2.042 9.585 1.00 0.32 C ATOM 677 CD LYS A 42 -4.081 -0.694 10.192 1.00 0.50 C ATOM 678 CE LYS A 42 -2.976 -0.820 11.228 1.00 0.40 C ATOM 679 NZ LYS A 42 -3.492 -1.204 12.568 1.00 0.75 N ATOM 0 H LYS A 42 -5.533 -4.657 8.953 1.00 0.27 H new ATOM 0 HA LYS A 42 -6.058 -2.912 6.644 1.00 0.25 H new ATOM 0 HB2 LYS A 42 -5.105 -1.041 7.821 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -6.389 -1.711 8.809 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -4.860 -2.684 10.349 1.00 0.32 H new ATOM 0 HG3 LYS A 42 -3.508 -2.529 9.245 1.00 0.32 H new ATOM 0 HD2 LYS A 42 -3.769 -0.007 9.406 1.00 0.50 H new ATOM 0 HD3 LYS A 42 -4.970 -0.266 10.655 1.00 0.50 H new ATOM 0 HE2 LYS A 42 -2.253 -1.564 10.894 1.00 0.40 H new ATOM 0 HE3 LYS A 42 -2.445 0.129 11.305 1.00 0.40 H new ATOM 0 HZ1 LYS A 42 -3.108 -0.557 13.286 1.00 0.75 H new ATOM 0 HZ2 LYS A 42 -4.530 -1.146 12.570 1.00 0.75 H new ATOM 0 HZ3 LYS A 42 -3.199 -2.178 12.787 1.00 0.75 H new ATOM 693 N ILE A 43 -3.683 -2.812 5.954 1.00 0.15 N ATOM 694 CA ILE A 43 -2.478 -3.115 5.215 1.00 0.12 C ATOM 695 C ILE A 43 -1.306 -2.285 5.730 1.00 0.11 C ATOM 696 O ILE A 43 -1.457 -1.107 6.035 1.00 0.12 O ATOM 697 CB ILE A 43 -2.721 -2.806 3.729 1.00 0.10 C ATOM 698 CG1 ILE A 43 -4.038 -3.438 3.274 1.00 0.14 C ATOM 699 CG2 ILE A 43 -1.573 -3.304 2.881 1.00 0.10 C ATOM 700 CD1 ILE A 43 -4.598 -2.829 2.009 1.00 0.16 C ATOM 0 H ILE A 43 -4.211 -2.028 5.571 1.00 0.15 H new ATOM 0 HA ILE A 43 -2.231 -4.169 5.345 1.00 0.12 H new ATOM 0 HB ILE A 43 -2.786 -1.725 3.605 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -3.883 -4.505 3.115 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -4.774 -3.338 4.072 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.768 -3.074 1.834 1.00 0.10 H new ATOM 0 HG22 ILE A 43 -0.650 -2.815 3.194 1.00 0.10 H new ATOM 0 HG23 ILE A 43 -1.472 -4.382 3.003 1.00 0.10 H new ATOM 0 HD11 ILE A 43 -5.532 -3.327 1.748 1.00 0.16 H new ATOM 0 HD12 ILE A 43 -4.786 -1.767 2.168 1.00 0.16 H new ATOM 0 HD13 ILE A 43 -3.881 -2.953 1.197 1.00 0.16 H new ATOM 712 N ILE A 44 -0.145 -2.907 5.841 1.00 0.12 N ATOM 713 CA ILE A 44 1.036 -2.236 6.362 1.00 0.12 C ATOM 714 C ILE A 44 2.176 -2.361 5.365 1.00 0.11 C ATOM 715 O ILE A 44 2.791 -3.416 5.249 1.00 0.11 O ATOM 716 CB ILE A 44 1.524 -2.815 7.721 1.00 0.15 C ATOM 717 CG1 ILE A 44 0.474 -3.731 8.372 1.00 0.16 C ATOM 718 CG2 ILE A 44 1.905 -1.676 8.667 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.767 -3.027 8.872 1.00 0.18 C ATOM 0 H ILE A 44 0.006 -3.880 5.576 1.00 0.12 H new ATOM 0 HA ILE A 44 0.750 -1.196 6.522 1.00 0.12 H new ATOM 0 HB ILE A 44 2.403 -3.429 7.523 1.00 0.15 H new ATOM 0 HG12 ILE A 44 0.176 -4.489 7.648 1.00 0.16 H new ATOM 0 HG13 ILE A 44 0.938 -4.254 9.208 1.00 0.16 H new ATOM 0 HG21 ILE A 44 2.246 -2.090 9.616 1.00 0.19 H new ATOM 0 HG22 ILE A 44 2.705 -1.085 8.221 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.037 -1.040 8.839 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.446 -3.756 9.314 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.488 -2.289 9.624 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.262 -2.528 8.039 1.00 0.18 H new ATOM 731 N LEU A 45 2.448 -1.297 4.637 1.00 0.11 N ATOM 732 CA LEU A 45 3.524 -1.310 3.665 1.00 0.10 C ATOM 733 C LEU A 45 4.813 -0.814 4.295 1.00 0.11 C ATOM 734 O LEU A 45 4.949 0.364 4.613 1.00 0.13 O ATOM 735 CB LEU A 45 3.185 -0.443 2.447 1.00 0.10 C ATOM 736 CG LEU A 45 2.394 -1.134 1.338 1.00 0.09 C ATOM 737 CD1 LEU A 45 1.009 -1.521 1.821 1.00 0.09 C ATOM 738 CD2 LEU A 45 2.297 -0.230 0.120 1.00 0.10 C ATOM 0 H LEU A 45 1.941 -0.414 4.699 1.00 0.11 H new ATOM 0 HA LEU A 45 3.654 -2.340 3.333 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.616 0.422 2.788 1.00 0.10 H new ATOM 0 HB3 LEU A 45 4.116 -0.066 2.023 1.00 0.10 H new ATOM 0 HG LEU A 45 2.922 -2.046 1.058 1.00 0.09 H new ATOM 0 HD11 LEU A 45 0.466 -2.011 1.013 1.00 0.09 H new ATOM 0 HD12 LEU A 45 1.096 -2.204 2.666 1.00 0.09 H new ATOM 0 HD13 LEU A 45 0.469 -0.627 2.131 1.00 0.09 H new ATOM 0 HD21 LEU A 45 1.731 -0.734 -0.663 1.00 0.10 H new ATOM 0 HD22 LEU A 45 1.792 0.696 0.394 1.00 0.10 H new ATOM 0 HD23 LEU A 45 3.299 -0.003 -0.245 1.00 0.10 H new ATOM 750 N LYS A 46 5.743 -1.715 4.496 1.00 0.12 N ATOM 751 CA LYS A 46 7.068 -1.344 4.943 1.00 0.14 C ATOM 752 C LYS A 46 7.992 -1.512 3.769 1.00 0.19 C ATOM 753 O LYS A 46 7.646 -2.186 2.820 1.00 0.45 O ATOM 754 CB LYS A 46 7.501 -2.230 6.118 1.00 0.29 C ATOM 755 CG LYS A 46 8.755 -1.753 6.831 1.00 0.89 C ATOM 756 CD LYS A 46 9.138 -2.690 7.963 1.00 0.95 C ATOM 757 CE LYS A 46 8.103 -2.668 9.074 1.00 1.75 C ATOM 758 NZ LYS A 46 8.545 -3.437 10.268 1.00 2.11 N ATOM 0 H LYS A 46 5.608 -2.716 4.357 1.00 0.12 H new ATOM 0 HA LYS A 46 7.089 -0.313 5.296 1.00 0.14 H new ATOM 0 HB2 LYS A 46 6.685 -2.282 6.839 1.00 0.29 H new ATOM 0 HB3 LYS A 46 7.668 -3.243 5.752 1.00 0.29 H new ATOM 0 HG2 LYS A 46 9.577 -1.685 6.119 1.00 0.89 H new ATOM 0 HG3 LYS A 46 8.592 -0.750 7.226 1.00 0.89 H new ATOM 0 HD2 LYS A 46 9.240 -3.705 7.579 1.00 0.95 H new ATOM 0 HD3 LYS A 46 10.110 -2.401 8.363 1.00 0.95 H new ATOM 0 HE2 LYS A 46 7.903 -1.636 9.362 1.00 1.75 H new ATOM 0 HE3 LYS A 46 7.166 -3.083 8.703 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 7.808 -3.395 11.001 1.00 2.11 H new ATOM 0 HZ2 LYS A 46 8.711 -4.428 10.001 1.00 2.11 H new ATOM 0 HZ3 LYS A 46 9.426 -3.026 10.639 1.00 2.11 H new ATOM 772 N LYS A 47 9.129 -0.870 3.797 1.00 0.19 N ATOM 773 CA LYS A 47 10.107 -1.060 2.740 1.00 0.25 C ATOM 774 C LYS A 47 10.627 -2.489 2.810 1.00 0.24 C ATOM 775 O LYS A 47 10.631 -3.091 3.889 1.00 0.28 O ATOM 776 CB LYS A 47 11.248 -0.048 2.878 1.00 0.38 C ATOM 777 CG LYS A 47 12.171 -0.306 4.060 1.00 0.48 C ATOM 778 CD LYS A 47 13.307 0.698 4.098 1.00 0.83 C ATOM 779 CE LYS A 47 12.891 1.978 4.803 1.00 1.57 C ATOM 780 NZ LYS A 47 13.149 1.913 6.270 1.00 2.48 N ATOM 0 H LYS A 47 9.407 -0.216 4.529 1.00 0.19 H new ATOM 0 HA LYS A 47 9.642 -0.895 1.768 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.838 -0.056 1.962 1.00 0.38 H new ATOM 0 HB3 LYS A 47 10.823 0.951 2.975 1.00 0.38 H new ATOM 0 HG2 LYS A 47 11.602 -0.251 4.988 1.00 0.48 H new ATOM 0 HG3 LYS A 47 12.576 -1.316 3.995 1.00 0.48 H new ATOM 0 HD2 LYS A 47 14.164 0.261 4.610 1.00 0.83 H new ATOM 0 HD3 LYS A 47 13.626 0.928 3.081 1.00 0.83 H new ATOM 0 HE2 LYS A 47 13.434 2.821 4.376 1.00 1.57 H new ATOM 0 HE3 LYS A 47 11.831 2.161 4.628 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 12.775 2.769 6.727 1.00 2.48 H new ATOM 0 HZ2 LYS A 47 12.679 1.075 6.668 1.00 2.48 H new ATOM 0 HZ3 LYS A 47 14.173 1.849 6.440 1.00 2.48 H new ATOM 794 N TYR A 48 11.028 -3.045 1.674 1.00 0.26 N ATOM 795 CA TYR A 48 11.526 -4.407 1.645 1.00 0.33 C ATOM 796 C TYR A 48 12.753 -4.530 2.541 1.00 0.48 C ATOM 797 O TYR A 48 13.399 -3.530 2.865 1.00 0.58 O ATOM 798 CB TYR A 48 11.850 -4.832 0.209 1.00 0.35 C ATOM 799 CG TYR A 48 13.119 -4.235 -0.376 1.00 0.88 C ATOM 800 CD1 TYR A 48 13.090 -3.032 -1.067 1.00 1.81 C ATOM 801 CD2 TYR A 48 14.341 -4.884 -0.252 1.00 1.68 C ATOM 802 CE1 TYR A 48 14.237 -2.492 -1.616 1.00 2.49 C ATOM 803 CE2 TYR A 48 15.494 -4.353 -0.800 1.00 2.32 C ATOM 804 CZ TYR A 48 15.436 -3.154 -1.479 1.00 2.51 C ATOM 805 OH TYR A 48 16.581 -2.620 -2.029 1.00 3.33 O ATOM 0 H TYR A 48 11.017 -2.575 0.769 1.00 0.26 H new ATOM 0 HA TYR A 48 10.752 -5.075 2.024 1.00 0.33 H new ATOM 0 HB2 TYR A 48 11.932 -5.918 0.179 1.00 0.35 H new ATOM 0 HB3 TYR A 48 11.011 -4.558 -0.431 1.00 0.35 H new ATOM 0 HD1 TYR A 48 12.152 -2.508 -1.178 1.00 1.81 H new ATOM 0 HD2 TYR A 48 14.391 -5.821 0.283 1.00 1.68 H new ATOM 0 HE1 TYR A 48 14.193 -1.554 -2.150 1.00 2.49 H new ATOM 0 HE2 TYR A 48 16.434 -4.874 -0.697 1.00 2.32 H new ATOM 0 HH TYR A 48 17.340 -3.210 -1.841 1.00 3.33 H new ATOM 939 N SER B 3 -2.096 -10.441 7.077 1.00 0.29 N ATOM 940 CA SER B 3 -0.693 -10.138 6.863 1.00 0.22 C ATOM 941 C SER B 3 -0.036 -11.255 6.108 1.00 0.24 C ATOM 942 O SER B 3 -0.452 -12.414 6.163 1.00 0.40 O ATOM 943 CB SER B 3 0.024 -9.964 8.193 1.00 0.28 C ATOM 944 OG SER B 3 1.174 -9.156 8.053 1.00 1.17 O ATOM 0 HA SER B 3 -0.630 -9.212 6.291 1.00 0.22 H new ATOM 0 HB2 SER B 3 -0.654 -9.513 8.918 1.00 0.28 H new ATOM 0 HB3 SER B 3 0.308 -10.940 8.586 1.00 0.28 H new ATOM 0 HG SER B 3 1.777 -9.311 8.810 1.00 1.17 H new ATOM 950 N THR B 4 1.009 -10.898 5.429 1.00 0.20 N ATOM 951 CA THR B 4 1.686 -11.824 4.579 1.00 0.22 C ATOM 952 C THR B 4 3.190 -11.670 4.729 1.00 0.23 C ATOM 953 O THR B 4 3.929 -12.653 4.769 1.00 0.28 O ATOM 954 CB THR B 4 1.289 -11.609 3.109 1.00 0.23 C ATOM 955 OG1 THR B 4 1.421 -10.221 2.766 1.00 0.24 O ATOM 956 CG2 THR B 4 -0.136 -12.073 2.851 1.00 0.22 C ATOM 0 H THR B 4 1.414 -9.962 5.448 1.00 0.20 H new ATOM 0 HA THR B 4 1.394 -12.832 4.875 1.00 0.22 H new ATOM 0 HB THR B 4 1.957 -12.203 2.486 1.00 0.23 H new ATOM 0 HG1 THR B 4 0.925 -10.039 1.941 1.00 0.24 H new ATOM 0 HG21 THR B 4 -0.388 -11.908 1.803 1.00 0.22 H new ATOM 0 HG22 THR B 4 -0.220 -13.135 3.082 1.00 0.22 H new ATOM 0 HG23 THR B 4 -0.822 -11.509 3.482 1.00 0.22 H new ATOM 964 N GLY B 5 3.631 -10.421 4.842 1.00 0.20 N ATOM 965 CA GLY B 5 5.048 -10.135 4.817 1.00 0.21 C ATOM 966 C GLY B 5 5.558 -10.256 3.400 1.00 0.19 C ATOM 967 O GLY B 5 6.717 -10.588 3.155 1.00 0.29 O ATOM 0 H GLY B 5 3.030 -9.604 4.950 1.00 0.20 H new ATOM 0 HA2 GLY B 5 5.235 -9.131 5.198 1.00 0.21 H new ATOM 0 HA3 GLY B 5 5.582 -10.827 5.468 1.00 0.21 H new ATOM 971 N ILE B 6 4.647 -9.992 2.477 1.00 0.12 N ATOM 972 CA ILE B 6 4.866 -10.184 1.059 1.00 0.12 C ATOM 973 C ILE B 6 5.282 -8.867 0.411 1.00 0.11 C ATOM 974 O ILE B 6 4.603 -7.854 0.563 1.00 0.11 O ATOM 975 CB ILE B 6 3.562 -10.745 0.422 1.00 0.13 C ATOM 976 CG1 ILE B 6 3.674 -12.262 0.210 1.00 0.17 C ATOM 977 CG2 ILE B 6 3.218 -10.058 -0.896 1.00 0.16 C ATOM 978 CD1 ILE B 6 3.970 -13.046 1.469 1.00 0.20 C ATOM 0 H ILE B 6 3.719 -9.632 2.700 1.00 0.12 H new ATOM 0 HA ILE B 6 5.672 -10.899 0.895 1.00 0.12 H new ATOM 0 HB ILE B 6 2.753 -10.536 1.122 1.00 0.13 H new ATOM 0 HG12 ILE B 6 2.741 -12.627 -0.220 1.00 0.17 H new ATOM 0 HG13 ILE B 6 4.460 -12.458 -0.519 1.00 0.17 H new ATOM 0 HG21 ILE B 6 2.300 -10.485 -1.300 1.00 0.16 H new ATOM 0 HG22 ILE B 6 3.077 -8.991 -0.724 1.00 0.16 H new ATOM 0 HG23 ILE B 6 4.031 -10.207 -1.607 1.00 0.16 H new ATOM 0 HD11 ILE B 6 4.033 -14.108 1.230 1.00 0.20 H new ATOM 0 HD12 ILE B 6 4.918 -12.712 1.891 1.00 0.20 H new ATOM 0 HD13 ILE B 6 3.173 -12.884 2.195 1.00 0.20 H new ATOM 990 N VAL B 7 6.411 -8.863 -0.285 1.00 0.13 N ATOM 991 CA VAL B 7 6.906 -7.626 -0.872 1.00 0.12 C ATOM 992 C VAL B 7 6.430 -7.474 -2.319 1.00 0.13 C ATOM 993 O VAL B 7 6.240 -8.465 -3.030 1.00 0.17 O ATOM 994 CB VAL B 7 8.454 -7.510 -0.825 1.00 0.15 C ATOM 995 CG1 VAL B 7 9.016 -8.072 0.471 1.00 0.20 C ATOM 996 CG2 VAL B 7 9.120 -8.159 -2.033 1.00 0.18 C ATOM 0 H VAL B 7 6.991 -9.685 -0.455 1.00 0.13 H new ATOM 0 HA VAL B 7 6.494 -6.822 -0.263 1.00 0.12 H new ATOM 0 HB VAL B 7 8.687 -6.446 -0.861 1.00 0.15 H new ATOM 0 HG11 VAL B 7 10.102 -7.974 0.469 1.00 0.20 H new ATOM 0 HG12 VAL B 7 8.603 -7.521 1.316 1.00 0.20 H new ATOM 0 HG13 VAL B 7 8.747 -9.125 0.558 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.202 -8.051 -1.954 1.00 0.18 H new ATOM 0 HG22 VAL B 7 8.862 -9.218 -2.066 1.00 0.18 H new ATOM 0 HG23 VAL B 7 8.773 -7.673 -2.945 1.00 0.18 H new ATOM 1006 N ARG B 8 6.225 -6.230 -2.736 1.00 0.12 N ATOM 1007 CA ARG B 8 5.811 -5.912 -4.098 1.00 0.13 C ATOM 1008 C ARG B 8 6.532 -4.673 -4.600 1.00 0.14 C ATOM 1009 O ARG B 8 6.964 -3.840 -3.811 1.00 0.14 O ATOM 1010 CB ARG B 8 4.300 -5.689 -4.151 1.00 0.13 C ATOM 1011 CG ARG B 8 3.513 -6.963 -3.961 1.00 0.15 C ATOM 1012 CD ARG B 8 3.836 -7.917 -5.084 1.00 0.21 C ATOM 1013 NE ARG B 8 3.311 -9.261 -4.851 1.00 0.27 N ATOM 1014 CZ ARG B 8 2.251 -9.772 -5.474 1.00 0.90 C ATOM 1015 NH1 ARG B 8 1.571 -9.041 -6.350 1.00 1.94 N ATOM 1016 NH2 ARG B 8 1.868 -11.015 -5.211 1.00 0.79 N ATOM 0 H ARG B 8 6.341 -5.412 -2.138 1.00 0.12 H new ATOM 0 HA ARG B 8 6.071 -6.753 -4.741 1.00 0.13 H new ATOM 0 HB2 ARG B 8 4.016 -4.973 -3.379 1.00 0.13 H new ATOM 0 HB3 ARG B 8 4.037 -5.244 -5.111 1.00 0.13 H new ATOM 0 HG2 ARG B 8 3.758 -7.416 -3.001 1.00 0.15 H new ATOM 0 HG3 ARG B 8 2.445 -6.746 -3.948 1.00 0.15 H new ATOM 0 HD2 ARG B 8 3.425 -7.527 -6.016 1.00 0.21 H new ATOM 0 HD3 ARG B 8 4.917 -7.971 -5.210 1.00 0.21 H new ATOM 0 HE ARG B 8 3.788 -9.846 -4.166 1.00 0.27 H new ATOM 0 HH11 ARG B 8 1.860 -8.083 -6.548 1.00 1.94 H new ATOM 0 HH12 ARG B 8 0.760 -9.438 -6.824 1.00 1.94 H new ATOM 0 HH21 ARG B 8 2.385 -11.575 -4.534 1.00 0.79 H new ATOM 0 HH22 ARG B 8 1.056 -11.410 -5.686 1.00 0.79 H new ATOM 1030 N LYS B 9 6.662 -4.567 -5.914 1.00 0.15 N ATOM 1031 CA LYS B 9 7.285 -3.403 -6.532 1.00 0.15 C ATOM 1032 C LYS B 9 6.290 -2.253 -6.602 1.00 0.15 C ATOM 1033 O LYS B 9 5.076 -2.468 -6.655 1.00 0.19 O ATOM 1034 CB LYS B 9 7.763 -3.739 -7.950 1.00 0.17 C ATOM 1035 CG LYS B 9 8.681 -4.950 -8.043 1.00 0.25 C ATOM 1036 CD LYS B 9 10.152 -4.553 -8.126 1.00 0.37 C ATOM 1037 CE LYS B 9 10.789 -4.380 -6.756 1.00 0.44 C ATOM 1038 NZ LYS B 9 12.228 -4.006 -6.857 1.00 1.37 N ATOM 0 H LYS B 9 6.344 -5.275 -6.576 1.00 0.15 H new ATOM 0 HA LYS B 9 8.141 -3.111 -5.924 1.00 0.15 H new ATOM 0 HB2 LYS B 9 6.891 -3.912 -8.581 1.00 0.17 H new ATOM 0 HB3 LYS B 9 8.285 -2.873 -8.357 1.00 0.17 H new ATOM 0 HG2 LYS B 9 8.527 -5.588 -7.173 1.00 0.25 H new ATOM 0 HG3 LYS B 9 8.415 -5.539 -8.921 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.699 -5.313 -8.683 1.00 0.37 H new ATOM 0 HD3 LYS B 9 10.242 -3.622 -8.685 1.00 0.37 H new ATOM 0 HE2 LYS B 9 10.252 -3.611 -6.200 1.00 0.44 H new ATOM 0 HE3 LYS B 9 10.693 -5.307 -6.191 1.00 0.44 H new ATOM 0 HZ1 LYS B 9 12.639 -3.947 -5.904 1.00 1.37 H new ATOM 0 HZ2 LYS B 9 12.736 -4.726 -7.409 1.00 1.37 H new ATOM 0 HZ3 LYS B 9 12.315 -3.083 -7.329 1.00 1.37 H new ATOM 1052 N VAL B 10 6.815 -1.038 -6.618 1.00 0.14 N ATOM 1053 CA VAL B 10 5.983 0.163 -6.648 1.00 0.15 C ATOM 1054 C VAL B 10 5.753 0.624 -8.098 1.00 0.18 C ATOM 1055 O VAL B 10 5.378 1.770 -8.364 1.00 0.21 O ATOM 1056 CB VAL B 10 6.631 1.282 -5.796 1.00 0.18 C ATOM 1057 CG1 VAL B 10 5.705 2.475 -5.643 1.00 0.22 C ATOM 1058 CG2 VAL B 10 7.024 0.744 -4.430 1.00 0.19 C ATOM 0 H VAL B 10 7.818 -0.853 -6.611 1.00 0.14 H new ATOM 0 HA VAL B 10 5.009 -0.070 -6.217 1.00 0.15 H new ATOM 0 HB VAL B 10 7.526 1.620 -6.318 1.00 0.18 H new ATOM 0 HG11 VAL B 10 6.194 3.240 -5.039 1.00 0.22 H new ATOM 0 HG12 VAL B 10 5.472 2.883 -6.626 1.00 0.22 H new ATOM 0 HG13 VAL B 10 4.784 2.160 -5.153 1.00 0.22 H new ATOM 0 HG21 VAL B 10 7.478 1.541 -3.842 1.00 0.19 H new ATOM 0 HG22 VAL B 10 6.137 0.374 -3.916 1.00 0.19 H new ATOM 0 HG23 VAL B 10 7.739 -0.070 -4.551 1.00 0.19 H new ATOM 1068 N ASP B 11 5.979 -0.296 -9.036 1.00 0.21 N ATOM 1069 CA ASP B 11 5.689 -0.070 -10.448 1.00 0.30 C ATOM 1070 C ASP B 11 6.616 0.994 -11.009 1.00 0.38 C ATOM 1071 O ASP B 11 7.820 0.998 -10.750 1.00 0.66 O ATOM 1072 CB ASP B 11 4.216 0.353 -10.629 1.00 0.33 C ATOM 1073 CG ASP B 11 3.707 0.308 -12.058 1.00 0.35 C ATOM 1074 OD1 ASP B 11 3.589 -0.797 -12.621 1.00 1.17 O ATOM 1075 OD2 ASP B 11 3.394 1.393 -12.605 1.00 1.11 O ATOM 0 H ASP B 11 6.368 -1.218 -8.836 1.00 0.21 H new ATOM 0 HA ASP B 11 5.854 -0.999 -10.993 1.00 0.30 H new ATOM 0 HB2 ASP B 11 3.590 -0.295 -10.016 1.00 0.33 H new ATOM 0 HB3 ASP B 11 4.095 1.367 -10.248 1.00 0.33 H new ATOM 1080 N GLU B 12 6.035 1.874 -11.783 1.00 0.30 N ATOM 1081 CA GLU B 12 6.749 2.979 -12.399 1.00 0.31 C ATOM 1082 C GLU B 12 5.979 4.257 -12.165 1.00 0.25 C ATOM 1083 O GLU B 12 6.543 5.304 -11.860 1.00 0.28 O ATOM 1084 CB GLU B 12 6.915 2.768 -13.906 1.00 0.41 C ATOM 1085 CG GLU B 12 6.066 1.646 -14.472 1.00 0.51 C ATOM 1086 CD GLU B 12 6.780 0.303 -14.496 1.00 1.03 C ATOM 1087 OE1 GLU B 12 7.693 0.076 -13.673 1.00 2.09 O ATOM 1088 OE2 GLU B 12 6.440 -0.524 -15.364 1.00 1.00 O ATOM 0 H GLU B 12 5.041 1.849 -12.010 1.00 0.30 H new ATOM 0 HA GLU B 12 7.740 3.037 -11.949 1.00 0.31 H new ATOM 0 HB2 GLU B 12 6.663 3.695 -14.422 1.00 0.41 H new ATOM 0 HB3 GLU B 12 7.963 2.559 -14.119 1.00 0.41 H new ATOM 0 HG2 GLU B 12 5.155 1.555 -13.880 1.00 0.51 H new ATOM 0 HG3 GLU B 12 5.762 1.906 -15.486 1.00 0.51 H new ATOM 1095 N LEU B 13 4.674 4.158 -12.319 1.00 0.24 N ATOM 1096 CA LEU B 13 3.799 5.296 -12.112 1.00 0.24 C ATOM 1097 C LEU B 13 3.668 5.591 -10.623 1.00 0.23 C ATOM 1098 O LEU B 13 3.377 6.717 -10.225 1.00 0.32 O ATOM 1099 CB LEU B 13 2.431 5.044 -12.752 1.00 0.32 C ATOM 1100 CG LEU B 13 2.402 5.123 -14.285 1.00 0.42 C ATOM 1101 CD1 LEU B 13 2.874 6.491 -14.757 1.00 0.49 C ATOM 1102 CD2 LEU B 13 3.247 4.016 -14.908 1.00 0.40 C ATOM 0 H LEU B 13 4.194 3.299 -12.588 1.00 0.24 H new ATOM 0 HA LEU B 13 4.235 6.171 -12.594 1.00 0.24 H new ATOM 0 HB2 LEU B 13 2.082 4.057 -12.448 1.00 0.32 H new ATOM 0 HB3 LEU B 13 1.722 5.770 -12.353 1.00 0.32 H new ATOM 0 HG LEU B 13 1.372 4.981 -14.612 1.00 0.42 H new ATOM 0 HD11 LEU B 13 2.847 6.529 -15.846 1.00 0.49 H new ATOM 0 HD12 LEU B 13 2.219 7.262 -14.350 1.00 0.49 H new ATOM 0 HD13 LEU B 13 3.894 6.663 -14.413 1.00 0.49 H new ATOM 0 HD21 LEU B 13 3.208 4.096 -15.994 1.00 0.40 H new ATOM 0 HD22 LEU B 13 4.280 4.115 -14.574 1.00 0.40 H new ATOM 0 HD23 LEU B 13 2.858 3.045 -14.602 1.00 0.40 H new ATOM 1114 N GLY B 14 3.898 4.570 -9.808 1.00 0.17 N ATOM 1115 CA GLY B 14 3.920 4.760 -8.371 1.00 0.15 C ATOM 1116 C GLY B 14 2.896 3.908 -7.682 1.00 0.14 C ATOM 1117 O GLY B 14 2.551 4.148 -6.541 1.00 0.15 O ATOM 0 H GLY B 14 4.070 3.613 -10.117 1.00 0.17 H new ATOM 0 HA2 GLY B 14 4.911 4.519 -7.987 1.00 0.15 H new ATOM 0 HA3 GLY B 14 3.735 5.809 -8.140 1.00 0.15 H new ATOM 1121 N ARG B 15 2.396 2.918 -8.385 1.00 0.16 N ATOM 1122 CA ARG B 15 1.397 2.038 -7.833 1.00 0.14 C ATOM 1123 C ARG B 15 1.985 0.687 -7.437 1.00 0.16 C ATOM 1124 O ARG B 15 2.524 -0.034 -8.269 1.00 0.20 O ATOM 1125 CB ARG B 15 0.249 1.886 -8.827 1.00 0.16 C ATOM 1126 CG ARG B 15 0.691 1.569 -10.242 1.00 0.25 C ATOM 1127 CD ARG B 15 -0.272 2.153 -11.256 1.00 0.48 C ATOM 1128 NE ARG B 15 0.241 2.048 -12.625 1.00 0.87 N ATOM 1129 CZ ARG B 15 -0.493 2.283 -13.717 1.00 1.14 C ATOM 1130 NH1 ARG B 15 -1.798 2.519 -13.615 1.00 1.00 N ATOM 1131 NH2 ARG B 15 0.070 2.231 -14.919 1.00 1.72 N ATOM 0 H ARG B 15 2.667 2.703 -9.344 1.00 0.16 H new ATOM 0 HA ARG B 15 1.011 2.482 -6.915 1.00 0.14 H new ATOM 0 HB2 ARG B 15 -0.415 1.095 -8.480 1.00 0.16 H new ATOM 0 HB3 ARG B 15 -0.332 2.808 -8.838 1.00 0.16 H new ATOM 0 HG2 ARG B 15 1.691 1.969 -10.413 1.00 0.25 H new ATOM 0 HG3 ARG B 15 0.753 0.489 -10.374 1.00 0.25 H new ATOM 0 HD2 ARG B 15 -1.229 1.636 -11.187 1.00 0.48 H new ATOM 0 HD3 ARG B 15 -0.458 3.200 -11.018 1.00 0.48 H new ATOM 0 HE ARG B 15 1.217 1.779 -12.752 1.00 0.87 H new ATOM 0 HH11 ARG B 15 -2.246 2.522 -12.699 1.00 1.00 H new ATOM 0 HH12 ARG B 15 -2.351 2.697 -14.453 1.00 1.00 H new ATOM 0 HH21 ARG B 15 1.062 2.012 -15.008 1.00 1.72 H new ATOM 0 HH22 ARG B 15 -0.490 2.410 -15.753 1.00 1.72 H new ATOM 1145 N VAL B 16 1.850 0.337 -6.163 1.00 0.14 N ATOM 1146 CA VAL B 16 2.361 -0.933 -5.670 1.00 0.14 C ATOM 1147 C VAL B 16 1.330 -2.004 -5.955 1.00 0.12 C ATOM 1148 O VAL B 16 0.156 -1.837 -5.640 1.00 0.11 O ATOM 1149 CB VAL B 16 2.667 -0.905 -4.147 1.00 0.16 C ATOM 1150 CG1 VAL B 16 1.399 -0.909 -3.310 1.00 0.15 C ATOM 1151 CG2 VAL B 16 3.571 -2.063 -3.762 1.00 0.17 C ATOM 0 H VAL B 16 1.393 0.913 -5.457 1.00 0.14 H new ATOM 0 HA VAL B 16 3.302 -1.139 -6.180 1.00 0.14 H new ATOM 0 HB VAL B 16 3.188 0.029 -3.937 1.00 0.16 H new ATOM 0 HG11 VAL B 16 1.661 -0.889 -2.252 1.00 0.15 H new ATOM 0 HG12 VAL B 16 0.800 -0.031 -3.552 1.00 0.15 H new ATOM 0 HG13 VAL B 16 0.824 -1.810 -3.524 1.00 0.15 H new ATOM 0 HG21 VAL B 16 3.774 -2.026 -2.692 1.00 0.17 H new ATOM 0 HG22 VAL B 16 3.080 -3.005 -4.006 1.00 0.17 H new ATOM 0 HG23 VAL B 16 4.509 -1.990 -4.312 1.00 0.17 H new ATOM 1161 N VAL B 17 1.740 -3.085 -6.582 1.00 0.11 N ATOM 1162 CA VAL B 17 0.786 -4.114 -6.934 1.00 0.10 C ATOM 1163 C VAL B 17 0.428 -4.916 -5.699 1.00 0.10 C ATOM 1164 O VAL B 17 1.032 -5.951 -5.413 1.00 0.10 O ATOM 1165 CB VAL B 17 1.311 -5.052 -8.040 1.00 0.10 C ATOM 1166 CG1 VAL B 17 0.202 -5.964 -8.546 1.00 0.14 C ATOM 1167 CG2 VAL B 17 1.915 -4.255 -9.187 1.00 0.12 C ATOM 0 H VAL B 17 2.705 -3.273 -6.854 1.00 0.11 H new ATOM 0 HA VAL B 17 -0.101 -3.619 -7.330 1.00 0.10 H new ATOM 0 HB VAL B 17 2.095 -5.674 -7.609 1.00 0.10 H new ATOM 0 HG11 VAL B 17 0.595 -6.617 -9.325 1.00 0.14 H new ATOM 0 HG12 VAL B 17 -0.176 -6.569 -7.722 1.00 0.14 H new ATOM 0 HG13 VAL B 17 -0.609 -5.360 -8.953 1.00 0.14 H new ATOM 0 HG21 VAL B 17 2.278 -4.939 -9.954 1.00 0.12 H new ATOM 0 HG22 VAL B 17 1.156 -3.600 -9.615 1.00 0.12 H new ATOM 0 HG23 VAL B 17 2.745 -3.654 -8.815 1.00 0.12 H new ATOM 1177 N ILE B 18 -0.535 -4.398 -4.951 1.00 0.10 N ATOM 1178 CA ILE B 18 -1.006 -5.058 -3.762 1.00 0.10 C ATOM 1179 C ILE B 18 -1.794 -6.295 -4.156 1.00 0.09 C ATOM 1180 O ILE B 18 -2.770 -6.203 -4.903 1.00 0.10 O ATOM 1181 CB ILE B 18 -1.859 -4.141 -2.860 1.00 0.12 C ATOM 1182 CG1 ILE B 18 -2.677 -4.969 -1.861 1.00 0.12 C ATOM 1183 CG2 ILE B 18 -2.763 -3.229 -3.675 1.00 0.12 C ATOM 1184 CD1 ILE B 18 -3.344 -4.139 -0.790 1.00 0.16 C ATOM 0 H ILE B 18 -1.003 -3.515 -5.156 1.00 0.10 H new ATOM 0 HA ILE B 18 -0.132 -5.338 -3.174 1.00 0.10 H new ATOM 0 HB ILE B 18 -1.174 -3.504 -2.301 1.00 0.12 H new ATOM 0 HG12 ILE B 18 -3.440 -5.528 -2.404 1.00 0.12 H new ATOM 0 HG13 ILE B 18 -2.023 -5.701 -1.387 1.00 0.12 H new ATOM 0 HG21 ILE B 18 -3.346 -2.600 -3.003 1.00 0.12 H new ATOM 0 HG22 ILE B 18 -2.155 -2.600 -4.324 1.00 0.12 H new ATOM 0 HG23 ILE B 18 -3.437 -3.833 -4.283 1.00 0.12 H new ATOM 0 HD11 ILE B 18 -3.904 -4.791 -0.120 1.00 0.16 H new ATOM 0 HD12 ILE B 18 -2.585 -3.601 -0.222 1.00 0.16 H new ATOM 0 HD13 ILE B 18 -4.024 -3.425 -1.254 1.00 0.16 H new ATOM 1196 N PRO B 19 -1.372 -7.472 -3.687 1.00 0.11 N ATOM 1197 CA PRO B 19 -1.984 -8.734 -4.087 1.00 0.15 C ATOM 1198 C PRO B 19 -3.500 -8.742 -3.926 1.00 0.17 C ATOM 1199 O PRO B 19 -4.038 -8.234 -2.935 1.00 0.16 O ATOM 1200 CB PRO B 19 -1.350 -9.755 -3.150 1.00 0.19 C ATOM 1201 CG PRO B 19 -0.036 -9.155 -2.783 1.00 0.17 C ATOM 1202 CD PRO B 19 -0.263 -7.670 -2.740 1.00 0.14 C ATOM 0 HA PRO B 19 -1.815 -8.936 -5.145 1.00 0.15 H new ATOM 0 HB2 PRO B 19 -1.969 -9.924 -2.269 1.00 0.19 H new ATOM 0 HB3 PRO B 19 -1.223 -10.720 -3.641 1.00 0.19 H new ATOM 0 HG2 PRO B 19 0.308 -9.526 -1.818 1.00 0.17 H new ATOM 0 HG3 PRO B 19 0.730 -9.413 -3.515 1.00 0.17 H new ATOM 0 HD2 PRO B 19 -0.524 -7.331 -1.737 1.00 0.14 H new ATOM 0 HD3 PRO B 19 0.627 -7.118 -3.041 1.00 0.14 H new ATOM 1210 N ILE B 20 -4.181 -9.346 -4.900 1.00 0.23 N ATOM 1211 CA ILE B 20 -5.633 -9.470 -4.868 1.00 0.27 C ATOM 1212 C ILE B 20 -6.066 -10.188 -3.611 1.00 0.28 C ATOM 1213 O ILE B 20 -7.158 -9.983 -3.111 1.00 0.28 O ATOM 1214 CB ILE B 20 -6.176 -10.230 -6.097 1.00 0.35 C ATOM 1215 CG1 ILE B 20 -5.646 -11.674 -6.142 1.00 0.40 C ATOM 1216 CG2 ILE B 20 -5.820 -9.475 -7.365 1.00 0.38 C ATOM 1217 CD1 ILE B 20 -6.575 -12.693 -5.509 1.00 0.43 C ATOM 0 H ILE B 20 -3.744 -9.758 -5.724 1.00 0.23 H new ATOM 0 HA ILE B 20 -6.043 -8.460 -4.884 1.00 0.27 H new ATOM 0 HB ILE B 20 -7.261 -10.290 -6.017 1.00 0.35 H new ATOM 0 HG12 ILE B 20 -5.471 -11.953 -7.181 1.00 0.40 H new ATOM 0 HG13 ILE B 20 -4.682 -11.712 -5.635 1.00 0.40 H new ATOM 0 HG21 ILE B 20 -6.205 -10.015 -8.230 1.00 0.38 H new ATOM 0 HG22 ILE B 20 -6.263 -8.479 -7.332 1.00 0.38 H new ATOM 0 HG23 ILE B 20 -4.736 -9.388 -7.445 1.00 0.38 H new ATOM 0 HD11 ILE B 20 -6.130 -13.685 -5.581 1.00 0.43 H new ATOM 0 HD12 ILE B 20 -6.731 -12.441 -4.460 1.00 0.43 H new ATOM 0 HD13 ILE B 20 -7.532 -12.686 -6.030 1.00 0.43 H new ATOM 1229 N GLU B 21 -5.167 -11.007 -3.109 1.00 0.30 N ATOM 1230 CA GLU B 21 -5.411 -11.843 -1.956 1.00 0.33 C ATOM 1231 C GLU B 21 -5.590 -10.991 -0.711 1.00 0.30 C ATOM 1232 O GLU B 21 -6.477 -11.230 0.119 1.00 0.30 O ATOM 1233 CB GLU B 21 -4.227 -12.780 -1.789 1.00 0.38 C ATOM 1234 CG GLU B 21 -3.535 -13.093 -3.112 1.00 0.37 C ATOM 1235 CD GLU B 21 -2.346 -14.005 -2.956 1.00 0.44 C ATOM 1236 OE1 GLU B 21 -2.463 -15.025 -2.249 1.00 1.06 O ATOM 1237 OE2 GLU B 21 -1.293 -13.718 -3.560 1.00 1.27 O ATOM 0 H GLU B 21 -4.230 -11.111 -3.498 1.00 0.30 H new ATOM 0 HA GLU B 21 -6.325 -12.418 -2.101 1.00 0.33 H new ATOM 0 HB2 GLU B 21 -3.507 -12.332 -1.104 1.00 0.38 H new ATOM 0 HB3 GLU B 21 -4.566 -13.710 -1.332 1.00 0.38 H new ATOM 0 HG2 GLU B 21 -4.253 -13.554 -3.790 1.00 0.37 H new ATOM 0 HG3 GLU B 21 -3.212 -12.161 -3.576 1.00 0.37 H new ATOM 1244 N LEU B 22 -4.758 -9.973 -0.590 1.00 0.28 N ATOM 1245 CA LEU B 22 -4.847 -9.081 0.538 1.00 0.27 C ATOM 1246 C LEU B 22 -6.080 -8.204 0.421 1.00 0.23 C ATOM 1247 O LEU B 22 -6.828 -8.052 1.383 1.00 0.25 O ATOM 1248 CB LEU B 22 -3.584 -8.243 0.672 1.00 0.28 C ATOM 1249 CG LEU B 22 -2.393 -9.002 1.244 1.00 0.30 C ATOM 1250 CD1 LEU B 22 -1.680 -9.788 0.165 1.00 0.52 C ATOM 1251 CD2 LEU B 22 -1.437 -8.056 1.946 1.00 0.41 C ATOM 0 H LEU B 22 -4.020 -9.749 -1.257 1.00 0.28 H new ATOM 0 HA LEU B 22 -4.940 -9.679 1.444 1.00 0.27 H new ATOM 0 HB2 LEU B 22 -3.315 -7.851 -0.309 1.00 0.28 H new ATOM 0 HB3 LEU B 22 -3.796 -7.385 1.311 1.00 0.28 H new ATOM 0 HG LEU B 22 -2.769 -9.711 1.981 1.00 0.30 H new ATOM 0 HD11 LEU B 22 -0.834 -10.320 0.601 1.00 0.52 H new ATOM 0 HD12 LEU B 22 -2.370 -10.505 -0.279 1.00 0.52 H new ATOM 0 HD13 LEU B 22 -1.321 -9.105 -0.605 1.00 0.52 H new ATOM 0 HD21 LEU B 22 -0.595 -8.621 2.346 1.00 0.41 H new ATOM 0 HD22 LEU B 22 -1.072 -7.314 1.236 1.00 0.41 H new ATOM 0 HD23 LEU B 22 -1.956 -7.553 2.761 1.00 0.41 H new ATOM 1263 N ARG B 23 -6.337 -7.680 -0.775 1.00 0.20 N ATOM 1264 CA ARG B 23 -7.526 -6.861 -0.981 1.00 0.19 C ATOM 1265 C ARG B 23 -8.772 -7.734 -0.898 1.00 0.20 C ATOM 1266 O ARG B 23 -9.879 -7.249 -0.674 1.00 0.21 O ATOM 1267 CB ARG B 23 -7.458 -6.078 -2.306 1.00 0.22 C ATOM 1268 CG ARG B 23 -7.377 -6.899 -3.571 1.00 0.33 C ATOM 1269 CD ARG B 23 -8.742 -6.967 -4.214 1.00 0.48 C ATOM 1270 NE ARG B 23 -8.702 -7.410 -5.609 1.00 0.71 N ATOM 1271 CZ ARG B 23 -9.688 -8.085 -6.205 1.00 0.94 C ATOM 1272 NH1 ARG B 23 -10.713 -8.548 -5.500 1.00 1.10 N ATOM 1273 NH2 ARG B 23 -9.640 -8.325 -7.509 1.00 1.20 N ATOM 0 H ARG B 23 -5.751 -7.805 -1.600 1.00 0.20 H new ATOM 0 HA ARG B 23 -7.576 -6.114 -0.189 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.339 -5.439 -2.370 1.00 0.22 H new ATOM 0 HB3 ARG B 23 -6.589 -5.421 -2.270 1.00 0.22 H new ATOM 0 HG2 ARG B 23 -6.660 -6.454 -4.261 1.00 0.33 H new ATOM 0 HG3 ARG B 23 -7.020 -7.903 -3.343 1.00 0.33 H new ATOM 0 HD2 ARG B 23 -9.372 -7.647 -3.642 1.00 0.48 H new ATOM 0 HD3 ARG B 23 -9.209 -5.983 -4.165 1.00 0.48 H new ATOM 0 HE ARG B 23 -7.871 -7.190 -6.158 1.00 0.71 H new ATOM 0 HH11 ARG B 23 -10.753 -8.389 -4.493 1.00 1.10 H new ATOM 0 HH12 ARG B 23 -11.461 -9.062 -5.965 1.00 1.10 H new ATOM 0 HH21 ARG B 23 -8.848 -7.994 -8.060 1.00 1.20 H new ATOM 0 HH22 ARG B 23 -10.395 -8.841 -7.961 1.00 1.20 H new ATOM 1287 N ARG B 24 -8.552 -9.029 -1.038 1.00 0.24 N ATOM 1288 CA ARG B 24 -9.577 -10.032 -0.840 1.00 0.27 C ATOM 1289 C ARG B 24 -9.802 -10.202 0.652 1.00 0.29 C ATOM 1290 O ARG B 24 -10.904 -10.504 1.107 1.00 0.33 O ATOM 1291 CB ARG B 24 -9.108 -11.342 -1.484 1.00 0.30 C ATOM 1292 CG ARG B 24 -10.054 -12.519 -1.340 1.00 0.38 C ATOM 1293 CD ARG B 24 -9.868 -13.226 -0.010 1.00 0.65 C ATOM 1294 NE ARG B 24 -10.542 -14.513 0.023 1.00 0.70 N ATOM 1295 CZ ARG B 24 -11.580 -14.792 0.806 1.00 1.25 C ATOM 1296 NH1 ARG B 24 -12.148 -13.837 1.535 1.00 2.11 N ATOM 1297 NH2 ARG B 24 -12.069 -16.023 0.841 1.00 1.28 N ATOM 0 H ARG B 24 -7.644 -9.416 -1.296 1.00 0.24 H new ATOM 0 HA ARG B 24 -10.518 -9.735 -1.303 1.00 0.27 H new ATOM 0 HB2 ARG B 24 -8.938 -11.163 -2.546 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -8.147 -11.616 -1.049 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -11.084 -12.172 -1.427 1.00 0.38 H new ATOM 0 HG3 ARG B 24 -9.885 -13.224 -2.154 1.00 0.38 H new ATOM 0 HD2 ARG B 24 -8.804 -13.369 0.178 1.00 0.65 H new ATOM 0 HD3 ARG B 24 -10.252 -12.596 0.792 1.00 0.65 H new ATOM 0 HE ARG B 24 -10.197 -15.249 -0.593 1.00 0.70 H new ATOM 0 HH11 ARG B 24 -11.788 -12.883 1.496 1.00 2.11 H new ATOM 0 HH12 ARG B 24 -12.944 -14.058 2.134 1.00 2.11 H new ATOM 0 HH21 ARG B 24 -11.649 -16.755 0.268 1.00 1.28 H new ATOM 0 HH22 ARG B 24 -12.865 -16.239 1.441 1.00 1.28 H new ATOM 1311 N THR B 25 -8.737 -9.995 1.408 1.00 0.29 N ATOM 1312 CA THR B 25 -8.800 -10.085 2.850 1.00 0.35 C ATOM 1313 C THR B 25 -9.640 -8.948 3.420 1.00 0.33 C ATOM 1314 O THR B 25 -10.445 -9.153 4.326 1.00 0.37 O ATOM 1315 CB THR B 25 -7.393 -10.059 3.478 1.00 0.41 C ATOM 1316 OG1 THR B 25 -6.616 -11.164 2.988 1.00 0.45 O ATOM 1317 CG2 THR B 25 -7.477 -10.129 4.994 1.00 0.51 C ATOM 0 H THR B 25 -7.814 -9.762 1.040 1.00 0.29 H new ATOM 0 HA THR B 25 -9.268 -11.037 3.099 1.00 0.35 H new ATOM 0 HB THR B 25 -6.911 -9.122 3.198 1.00 0.41 H new ATOM 0 HG1 THR B 25 -6.560 -11.117 2.011 1.00 0.45 H new ATOM 0 HG21 THR B 25 -6.472 -10.109 5.415 1.00 0.51 H new ATOM 0 HG22 THR B 25 -8.044 -9.276 5.367 1.00 0.51 H new ATOM 0 HG23 THR B 25 -7.976 -11.052 5.289 1.00 0.51 H new ATOM 1325 N LEU B 26 -9.465 -7.754 2.866 1.00 0.30 N ATOM 1326 CA LEU B 26 -10.173 -6.582 3.374 1.00 0.33 C ATOM 1327 C LEU B 26 -11.576 -6.487 2.788 1.00 0.32 C ATOM 1328 O LEU B 26 -12.439 -5.794 3.326 1.00 0.43 O ATOM 1329 CB LEU B 26 -9.418 -5.285 3.068 1.00 0.40 C ATOM 1330 CG LEU B 26 -7.938 -5.211 3.481 1.00 0.50 C ATOM 1331 CD1 LEU B 26 -7.579 -6.233 4.556 1.00 0.59 C ATOM 1332 CD2 LEU B 26 -7.042 -5.344 2.265 1.00 0.54 C ATOM 0 H LEU B 26 -8.848 -7.571 2.075 1.00 0.30 H new ATOM 0 HA LEU B 26 -10.239 -6.706 4.455 1.00 0.33 H new ATOM 0 HB2 LEU B 26 -9.477 -5.107 1.994 1.00 0.40 H new ATOM 0 HB3 LEU B 26 -9.945 -4.466 3.557 1.00 0.40 H new ATOM 0 HG LEU B 26 -7.772 -4.230 3.927 1.00 0.50 H new ATOM 0 HD11 LEU B 26 -6.523 -6.138 4.811 1.00 0.59 H new ATOM 0 HD12 LEU B 26 -8.184 -6.054 5.445 1.00 0.59 H new ATOM 0 HD13 LEU B 26 -7.773 -7.238 4.182 1.00 0.59 H new ATOM 0 HD21 LEU B 26 -5.998 -5.290 2.574 1.00 0.54 H new ATOM 0 HD22 LEU B 26 -7.227 -6.302 1.780 1.00 0.54 H new ATOM 0 HD23 LEU B 26 -7.256 -4.536 1.565 1.00 0.54 H new ATOM 1344 N GLY B 27 -11.789 -7.171 1.672 1.00 0.24 N ATOM 1345 CA GLY B 27 -13.082 -7.146 1.020 1.00 0.27 C ATOM 1346 C GLY B 27 -13.218 -5.982 0.059 1.00 0.33 C ATOM 1347 O GLY B 27 -14.298 -5.726 -0.474 1.00 0.52 O ATOM 0 H GLY B 27 -11.086 -7.745 1.206 1.00 0.24 H new ATOM 0 HA2 GLY B 27 -13.232 -8.080 0.479 1.00 0.27 H new ATOM 0 HA3 GLY B 27 -13.866 -7.085 1.775 1.00 0.27 H new ATOM 1351 N ILE B 28 -12.121 -5.272 -0.150 1.00 0.32 N ATOM 1352 CA ILE B 28 -12.072 -4.168 -1.101 1.00 0.36 C ATOM 1353 C ILE B 28 -11.886 -4.699 -2.519 1.00 0.32 C ATOM 1354 O ILE B 28 -12.203 -5.854 -2.810 1.00 0.35 O ATOM 1355 CB ILE B 28 -10.911 -3.213 -0.761 1.00 0.42 C ATOM 1356 CG1 ILE B 28 -9.583 -3.933 -0.938 1.00 0.42 C ATOM 1357 CG2 ILE B 28 -11.054 -2.685 0.659 1.00 0.73 C ATOM 1358 CD1 ILE B 28 -8.390 -3.028 -0.818 1.00 0.50 C ATOM 0 H ILE B 28 -11.239 -5.443 0.333 1.00 0.32 H new ATOM 0 HA ILE B 28 -13.014 -3.624 -1.038 1.00 0.36 H new ATOM 0 HB ILE B 28 -10.941 -2.362 -1.441 1.00 0.42 H new ATOM 0 HG12 ILE B 28 -9.505 -4.724 -0.192 1.00 0.42 H new ATOM 0 HG13 ILE B 28 -9.567 -4.414 -1.916 1.00 0.42 H new ATOM 0 HG21 ILE B 28 -10.226 -2.012 0.882 1.00 0.73 H new ATOM 0 HG22 ILE B 28 -11.996 -2.145 0.753 1.00 0.73 H new ATOM 0 HG23 ILE B 28 -11.043 -3.519 1.360 1.00 0.73 H new ATOM 0 HD11 ILE B 28 -7.478 -3.609 -0.955 1.00 0.50 H new ATOM 0 HD12 ILE B 28 -8.444 -2.252 -1.581 1.00 0.50 H new ATOM 0 HD13 ILE B 28 -8.381 -2.566 0.169 1.00 0.50 H new ATOM 1370 N ALA B 29 -11.353 -3.863 -3.394 1.00 0.30 N ATOM 1371 CA ALA B 29 -11.162 -4.231 -4.781 1.00 0.33 C ATOM 1372 C ALA B 29 -10.135 -3.339 -5.441 1.00 0.43 C ATOM 1373 O ALA B 29 -9.590 -2.442 -4.813 1.00 0.92 O ATOM 1374 CB ALA B 29 -12.482 -4.172 -5.538 1.00 0.36 C ATOM 0 H ALA B 29 -11.044 -2.919 -3.163 1.00 0.30 H new ATOM 0 HA ALA B 29 -10.791 -5.256 -4.809 1.00 0.33 H new ATOM 0 HB1 ALA B 29 -12.318 -4.452 -6.579 1.00 0.36 H new ATOM 0 HB2 ALA B 29 -13.193 -4.863 -5.084 1.00 0.36 H new ATOM 0 HB3 ALA B 29 -12.882 -3.159 -5.494 1.00 0.36 H new ATOM 1380 N GLU B 30 -9.878 -3.602 -6.707 1.00 0.31 N ATOM 1381 CA GLU B 30 -8.936 -2.815 -7.483 1.00 0.29 C ATOM 1382 C GLU B 30 -9.555 -1.475 -7.848 1.00 0.28 C ATOM 1383 O GLU B 30 -8.900 -0.439 -7.830 1.00 0.36 O ATOM 1384 CB GLU B 30 -8.540 -3.605 -8.731 1.00 0.36 C ATOM 1385 CG GLU B 30 -9.745 -4.046 -9.548 1.00 0.47 C ATOM 1386 CD GLU B 30 -9.485 -5.289 -10.370 1.00 0.78 C ATOM 1387 OE1 GLU B 30 -9.291 -6.369 -9.771 1.00 1.44 O ATOM 1388 OE2 GLU B 30 -9.514 -5.204 -11.612 1.00 1.50 O ATOM 0 H GLU B 30 -10.314 -4.364 -7.227 1.00 0.31 H new ATOM 0 HA GLU B 30 -8.040 -2.616 -6.896 1.00 0.29 H new ATOM 0 HB2 GLU B 30 -7.888 -2.992 -9.353 1.00 0.36 H new ATOM 0 HB3 GLU B 30 -7.965 -4.482 -8.434 1.00 0.36 H new ATOM 0 HG2 GLU B 30 -10.583 -4.231 -8.876 1.00 0.47 H new ATOM 0 HG3 GLU B 30 -10.042 -3.235 -10.212 1.00 0.47 H new ATOM 1395 N LYS B 31 -10.840 -1.499 -8.141 1.00 0.24 N ATOM 1396 CA LYS B 31 -11.576 -0.282 -8.410 1.00 0.25 C ATOM 1397 C LYS B 31 -11.885 0.434 -7.106 1.00 0.24 C ATOM 1398 O LYS B 31 -12.453 1.527 -7.105 1.00 0.28 O ATOM 1399 CB LYS B 31 -12.871 -0.593 -9.153 1.00 0.27 C ATOM 1400 CG LYS B 31 -12.678 -1.415 -10.419 1.00 0.30 C ATOM 1401 CD LYS B 31 -12.180 -0.575 -11.590 1.00 0.40 C ATOM 1402 CE LYS B 31 -10.684 -0.323 -11.510 1.00 0.37 C ATOM 1403 NZ LYS B 31 -10.155 0.361 -12.721 1.00 0.46 N ATOM 0 H LYS B 31 -11.397 -2.352 -8.199 1.00 0.24 H new ATOM 0 HA LYS B 31 -10.963 0.364 -9.038 1.00 0.25 H new ATOM 0 HB2 LYS B 31 -13.542 -1.130 -8.483 1.00 0.27 H new ATOM 0 HB3 LYS B 31 -13.363 0.345 -9.413 1.00 0.27 H new ATOM 0 HG2 LYS B 31 -11.966 -2.217 -10.223 1.00 0.30 H new ATOM 0 HG3 LYS B 31 -13.623 -1.886 -10.690 1.00 0.30 H new ATOM 0 HD2 LYS B 31 -12.413 -1.083 -12.526 1.00 0.40 H new ATOM 0 HD3 LYS B 31 -12.709 0.378 -11.604 1.00 0.40 H new ATOM 0 HE2 LYS B 31 -10.468 0.284 -10.631 1.00 0.37 H new ATOM 0 HE3 LYS B 31 -10.166 -1.273 -11.378 1.00 0.37 H new ATOM 0 HZ1 LYS B 31 -9.116 0.388 -12.678 1.00 0.46 H new ATOM 0 HZ2 LYS B 31 -10.453 -0.159 -13.571 1.00 0.46 H new ATOM 0 HZ3 LYS B 31 -10.526 1.332 -12.761 1.00 0.46 H new ATOM 1417 N ASP B 32 -11.493 -0.182 -5.992 1.00 0.21 N ATOM 1418 CA ASP B 32 -11.756 0.372 -4.692 1.00 0.21 C ATOM 1419 C ASP B 32 -10.682 1.384 -4.336 1.00 0.22 C ATOM 1420 O ASP B 32 -9.771 1.641 -5.129 1.00 0.40 O ATOM 1421 CB ASP B 32 -11.830 -0.759 -3.670 1.00 0.21 C ATOM 1422 CG ASP B 32 -12.347 -0.322 -2.316 1.00 1.19 C ATOM 1423 OD1 ASP B 32 -13.579 -0.151 -2.180 1.00 1.85 O ATOM 1424 OD2 ASP B 32 -11.533 -0.160 -1.394 1.00 2.05 O ATOM 0 H ASP B 32 -10.990 -1.069 -5.978 1.00 0.21 H new ATOM 0 HA ASP B 32 -12.713 0.894 -4.692 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -12.476 -1.547 -4.059 1.00 0.21 H new ATOM 0 HB3 ASP B 32 -10.837 -1.192 -3.548 1.00 0.21 H new ATOM 1429 N ALA B 33 -10.787 1.952 -3.160 1.00 0.21 N ATOM 1430 CA ALA B 33 -9.904 3.017 -2.749 1.00 0.17 C ATOM 1431 C ALA B 33 -9.419 2.741 -1.349 1.00 0.15 C ATOM 1432 O ALA B 33 -10.162 2.232 -0.514 1.00 0.25 O ATOM 1433 CB ALA B 33 -10.605 4.367 -2.804 1.00 0.21 C ATOM 0 H ALA B 33 -11.484 1.691 -2.463 1.00 0.21 H new ATOM 0 HA ALA B 33 -9.058 3.056 -3.435 1.00 0.17 H new ATOM 0 HB1 ALA B 33 -9.914 5.149 -2.489 1.00 0.21 H new ATOM 0 HB2 ALA B 33 -10.935 4.564 -3.824 1.00 0.21 H new ATOM 0 HB3 ALA B 33 -11.468 4.356 -2.139 1.00 0.21 H new ATOM 1439 N LEU B 34 -8.191 3.093 -1.086 1.00 0.11 N ATOM 1440 CA LEU B 34 -7.589 2.810 0.183 1.00 0.12 C ATOM 1441 C LEU B 34 -7.083 4.095 0.775 1.00 0.12 C ATOM 1442 O LEU B 34 -6.394 4.856 0.106 1.00 0.14 O ATOM 1443 CB LEU B 34 -6.448 1.816 0.009 1.00 0.14 C ATOM 1444 CG LEU B 34 -6.889 0.420 -0.410 1.00 0.15 C ATOM 1445 CD1 LEU B 34 -5.684 -0.422 -0.794 1.00 0.23 C ATOM 1446 CD2 LEU B 34 -7.651 -0.238 0.726 1.00 0.33 C ATOM 0 H LEU B 34 -7.583 3.582 -1.743 1.00 0.11 H new ATOM 0 HA LEU B 34 -8.326 2.367 0.853 1.00 0.12 H new ATOM 0 HB2 LEU B 34 -5.755 2.204 -0.737 1.00 0.14 H new ATOM 0 HB3 LEU B 34 -5.899 1.744 0.948 1.00 0.14 H new ATOM 0 HG LEU B 34 -7.543 0.500 -1.278 1.00 0.15 H new ATOM 0 HD11 LEU B 34 -6.015 -1.417 -1.091 1.00 0.23 H new ATOM 0 HD12 LEU B 34 -5.161 0.050 -1.626 1.00 0.23 H new ATOM 0 HD13 LEU B 34 -5.010 -0.504 0.059 1.00 0.23 H new ATOM 0 HD21 LEU B 34 -7.965 -1.237 0.423 1.00 0.33 H new ATOM 0 HD22 LEU B 34 -7.007 -0.311 1.602 1.00 0.33 H new ATOM 0 HD23 LEU B 34 -8.529 0.360 0.970 1.00 0.33 H new ATOM 1458 N GLU B 35 -7.433 4.335 2.011 1.00 0.14 N ATOM 1459 CA GLU B 35 -7.017 5.515 2.695 1.00 0.16 C ATOM 1460 C GLU B 35 -5.687 5.221 3.346 1.00 0.13 C ATOM 1461 O GLU B 35 -5.596 4.481 4.330 1.00 0.14 O ATOM 1462 CB GLU B 35 -8.069 5.926 3.714 1.00 0.25 C ATOM 1463 CG GLU B 35 -7.957 7.377 4.115 1.00 0.33 C ATOM 1464 CD GLU B 35 -9.120 7.842 4.970 1.00 0.47 C ATOM 1465 OE1 GLU B 35 -10.242 7.974 4.439 1.00 1.29 O ATOM 1466 OE2 GLU B 35 -8.918 8.081 6.176 1.00 1.01 O ATOM 0 H GLU B 35 -8.017 3.711 2.568 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.903 6.351 2.005 1.00 0.16 H new ATOM 0 HB2 GLU B 35 -9.061 5.743 3.300 1.00 0.25 H new ATOM 0 HB3 GLU B 35 -7.974 5.300 4.601 1.00 0.25 H new ATOM 0 HG2 GLU B 35 -7.027 7.527 4.663 1.00 0.33 H new ATOM 0 HG3 GLU B 35 -7.902 7.994 3.218 1.00 0.33 H new ATOM 1473 N ILE B 36 -4.655 5.731 2.718 1.00 0.11 N ATOM 1474 CA ILE B 36 -3.298 5.430 3.113 1.00 0.09 C ATOM 1475 C ILE B 36 -2.754 6.418 4.147 1.00 0.10 C ATOM 1476 O ILE B 36 -2.878 7.637 4.011 1.00 0.12 O ATOM 1477 CB ILE B 36 -2.380 5.411 1.886 1.00 0.11 C ATOM 1478 CG1 ILE B 36 -2.822 4.324 0.908 1.00 0.10 C ATOM 1479 CG2 ILE B 36 -0.932 5.212 2.301 1.00 0.14 C ATOM 1480 CD1 ILE B 36 -3.371 4.875 -0.385 1.00 0.13 C ATOM 0 H ILE B 36 -4.730 6.364 1.922 1.00 0.11 H new ATOM 0 HA ILE B 36 -3.316 4.445 3.579 1.00 0.09 H new ATOM 0 HB ILE B 36 -2.455 6.375 1.383 1.00 0.11 H new ATOM 0 HG12 ILE B 36 -1.974 3.676 0.688 1.00 0.10 H new ATOM 0 HG13 ILE B 36 -3.582 3.704 1.383 1.00 0.10 H new ATOM 0 HG21 ILE B 36 -0.298 5.202 1.415 1.00 0.14 H new ATOM 0 HG22 ILE B 36 -0.626 6.027 2.957 1.00 0.14 H new ATOM 0 HG23 ILE B 36 -0.832 4.264 2.830 1.00 0.14 H new ATOM 0 HD11 ILE B 36 -3.667 4.051 -1.035 1.00 0.13 H new ATOM 0 HD12 ILE B 36 -4.238 5.501 -0.175 1.00 0.13 H new ATOM 0 HD13 ILE B 36 -2.605 5.472 -0.881 1.00 0.13 H new ATOM 1492 N TYR B 37 -2.134 5.861 5.169 1.00 0.11 N ATOM 1493 CA TYR B 37 -1.514 6.618 6.244 1.00 0.12 C ATOM 1494 C TYR B 37 -0.071 6.157 6.377 1.00 0.11 C ATOM 1495 O TYR B 37 0.377 5.315 5.606 1.00 0.11 O ATOM 1496 CB TYR B 37 -2.224 6.376 7.579 1.00 0.16 C ATOM 1497 CG TYR B 37 -3.737 6.292 7.524 1.00 0.39 C ATOM 1498 CD1 TYR B 37 -4.525 7.434 7.602 1.00 1.43 C ATOM 1499 CD2 TYR B 37 -4.377 5.063 7.432 1.00 1.12 C ATOM 1500 CE1 TYR B 37 -5.907 7.349 7.591 1.00 1.59 C ATOM 1501 CE2 TYR B 37 -5.756 4.970 7.413 1.00 1.19 C ATOM 1502 CZ TYR B 37 -6.517 6.116 7.494 1.00 0.88 C ATOM 1503 OH TYR B 37 -7.892 6.022 7.491 1.00 1.13 O ATOM 0 H TYR B 37 -2.044 4.851 5.279 1.00 0.11 H new ATOM 0 HA TYR B 37 -1.578 7.680 6.006 1.00 0.12 H new ATOM 0 HB2 TYR B 37 -1.844 5.448 8.006 1.00 0.16 H new ATOM 0 HB3 TYR B 37 -1.950 7.178 8.264 1.00 0.16 H new ATOM 0 HD1 TYR B 37 -4.052 8.403 7.672 1.00 1.43 H new ATOM 0 HD2 TYR B 37 -3.785 4.161 7.374 1.00 1.12 H new ATOM 0 HE1 TYR B 37 -6.505 8.246 7.658 1.00 1.59 H new ATOM 0 HE2 TYR B 37 -6.234 4.005 7.335 1.00 1.19 H new ATOM 0 HH TYR B 37 -8.280 6.908 7.335 1.00 1.13 H new ATOM 1513 N VAL B 38 0.657 6.725 7.329 1.00 0.12 N ATOM 1514 CA VAL B 38 2.010 6.270 7.649 1.00 0.13 C ATOM 1515 C VAL B 38 2.309 6.454 9.138 1.00 0.14 C ATOM 1516 O VAL B 38 1.963 7.468 9.740 1.00 0.17 O ATOM 1517 CB VAL B 38 3.092 6.989 6.795 1.00 0.15 C ATOM 1518 CG1 VAL B 38 4.467 6.896 7.440 1.00 0.16 C ATOM 1519 CG2 VAL B 38 3.150 6.423 5.381 1.00 0.19 C ATOM 0 H VAL B 38 0.333 7.507 7.898 1.00 0.12 H new ATOM 0 HA VAL B 38 2.050 5.208 7.405 1.00 0.13 H new ATOM 0 HB VAL B 38 2.804 8.039 6.742 1.00 0.15 H new ATOM 0 HG11 VAL B 38 5.198 7.410 6.815 1.00 0.16 H new ATOM 0 HG12 VAL B 38 4.439 7.363 8.424 1.00 0.16 H new ATOM 0 HG13 VAL B 38 4.750 5.849 7.543 1.00 0.16 H new ATOM 0 HG21 VAL B 38 3.916 6.947 4.810 1.00 0.19 H new ATOM 0 HG22 VAL B 38 3.392 5.361 5.424 1.00 0.19 H new ATOM 0 HG23 VAL B 38 2.183 6.555 4.896 1.00 0.19 H new ATOM 1529 N ASP B 39 2.948 5.456 9.719 1.00 0.16 N ATOM 1530 CA ASP B 39 3.330 5.485 11.121 1.00 0.20 C ATOM 1531 C ASP B 39 4.837 5.374 11.228 1.00 0.24 C ATOM 1532 O ASP B 39 5.422 4.411 10.737 1.00 0.35 O ATOM 1533 CB ASP B 39 2.644 4.354 11.890 1.00 0.37 C ATOM 1534 CG ASP B 39 3.078 4.290 13.339 1.00 0.99 C ATOM 1535 OD1 ASP B 39 2.972 5.316 14.040 1.00 1.49 O ATOM 1536 OD2 ASP B 39 3.536 3.217 13.780 1.00 1.71 O ATOM 0 H ASP B 39 3.218 4.601 9.233 1.00 0.16 H new ATOM 0 HA ASP B 39 3.009 6.428 11.564 1.00 0.20 H new ATOM 0 HB2 ASP B 39 1.564 4.491 11.844 1.00 0.37 H new ATOM 0 HB3 ASP B 39 2.866 3.403 11.406 1.00 0.37 H new ATOM 1541 N ASP B 40 5.453 6.372 11.859 1.00 0.33 N ATOM 1542 CA ASP B 40 6.907 6.519 11.876 1.00 0.46 C ATOM 1543 C ASP B 40 7.437 6.688 10.464 1.00 0.51 C ATOM 1544 O ASP B 40 7.572 7.804 9.964 1.00 0.90 O ATOM 1545 CB ASP B 40 7.595 5.321 12.539 1.00 0.71 C ATOM 1546 CG ASP B 40 7.853 5.530 14.016 1.00 1.40 C ATOM 1547 OD1 ASP B 40 6.932 5.299 14.828 1.00 2.08 O ATOM 1548 OD2 ASP B 40 8.987 5.912 14.373 1.00 1.98 O ATOM 0 H ASP B 40 4.958 7.101 12.373 1.00 0.33 H new ATOM 0 HA ASP B 40 7.134 7.409 12.464 1.00 0.46 H new ATOM 0 HB2 ASP B 40 6.976 4.434 12.406 1.00 0.71 H new ATOM 0 HB3 ASP B 40 8.542 5.128 12.034 1.00 0.71 H new ATOM 1553 N GLU B 41 7.698 5.566 9.823 1.00 0.40 N ATOM 1554 CA GLU B 41 8.189 5.547 8.463 1.00 0.60 C ATOM 1555 C GLU B 41 7.600 4.352 7.722 1.00 0.45 C ATOM 1556 O GLU B 41 8.220 3.805 6.809 1.00 0.48 O ATOM 1557 CB GLU B 41 9.719 5.486 8.454 1.00 1.02 C ATOM 1558 CG GLU B 41 10.290 4.350 9.289 1.00 1.19 C ATOM 1559 CD GLU B 41 11.790 4.221 9.130 1.00 1.70 C ATOM 1560 OE1 GLU B 41 12.236 3.542 8.178 1.00 2.39 O ATOM 1561 OE2 GLU B 41 12.536 4.802 9.951 1.00 1.96 O ATOM 0 H GLU B 41 7.575 4.640 10.233 1.00 0.40 H new ATOM 0 HA GLU B 41 7.881 6.462 7.957 1.00 0.60 H new ATOM 0 HB2 GLU B 41 10.064 5.378 7.426 1.00 1.02 H new ATOM 0 HB3 GLU B 41 10.114 6.432 8.825 1.00 1.02 H new ATOM 0 HG2 GLU B 41 10.051 4.518 10.339 1.00 1.19 H new ATOM 0 HG3 GLU B 41 9.814 3.413 8.999 1.00 1.19 H new ATOM 1568 N LYS B 42 6.400 3.945 8.114 1.00 0.32 N ATOM 1569 CA LYS B 42 5.757 2.815 7.471 1.00 0.28 C ATOM 1570 C LYS B 42 4.359 3.162 7.010 1.00 0.20 C ATOM 1571 O LYS B 42 3.668 3.961 7.620 1.00 0.18 O ATOM 1572 CB LYS B 42 5.738 1.597 8.405 1.00 0.35 C ATOM 1573 CG LYS B 42 4.626 1.637 9.441 1.00 0.44 C ATOM 1574 CD LYS B 42 4.840 0.617 10.547 1.00 0.52 C ATOM 1575 CE LYS B 42 3.633 0.554 11.473 1.00 0.41 C ATOM 1576 NZ LYS B 42 3.958 -0.080 12.781 1.00 0.83 N ATOM 0 H LYS B 42 5.861 4.376 8.865 1.00 0.32 H new ATOM 0 HA LYS B 42 6.341 2.560 6.587 1.00 0.28 H new ATOM 0 HB2 LYS B 42 5.632 0.693 7.806 1.00 0.35 H new ATOM 0 HB3 LYS B 42 6.698 1.529 8.918 1.00 0.35 H new ATOM 0 HG2 LYS B 42 4.571 2.635 9.875 1.00 0.44 H new ATOM 0 HG3 LYS B 42 3.670 1.448 8.954 1.00 0.44 H new ATOM 0 HD2 LYS B 42 5.019 -0.366 10.111 1.00 0.52 H new ATOM 0 HD3 LYS B 42 5.729 0.878 11.120 1.00 0.52 H new ATOM 0 HE2 LYS B 42 3.256 1.562 11.644 1.00 0.41 H new ATOM 0 HE3 LYS B 42 2.834 -0.007 10.988 1.00 0.41 H new ATOM 0 HZ1 LYS B 42 3.107 -0.101 13.378 1.00 0.83 H new ATOM 0 HZ2 LYS B 42 4.293 -1.052 12.622 1.00 0.83 H new ATOM 0 HZ3 LYS B 42 4.701 0.469 13.258 1.00 0.83 H new ATOM 1590 N ILE B 43 3.951 2.517 5.941 1.00 0.16 N ATOM 1591 CA ILE B 43 2.732 2.856 5.236 1.00 0.13 C ATOM 1592 C ILE B 43 1.556 2.027 5.749 1.00 0.12 C ATOM 1593 O ILE B 43 1.699 0.840 6.025 1.00 0.13 O ATOM 1594 CB ILE B 43 2.936 2.611 3.732 1.00 0.12 C ATOM 1595 CG1 ILE B 43 4.197 3.328 3.252 1.00 0.20 C ATOM 1596 CG2 ILE B 43 1.728 3.063 2.940 1.00 0.12 C ATOM 1597 CD1 ILE B 43 4.744 2.776 1.957 1.00 0.47 C ATOM 0 H ILE B 43 4.460 1.734 5.531 1.00 0.16 H new ATOM 0 HA ILE B 43 2.502 3.907 5.411 1.00 0.13 H new ATOM 0 HB ILE B 43 3.058 1.540 3.569 1.00 0.12 H new ATOM 0 HG12 ILE B 43 3.977 4.388 3.122 1.00 0.20 H new ATOM 0 HG13 ILE B 43 4.964 3.254 4.023 1.00 0.20 H new ATOM 0 HG21 ILE B 43 1.898 2.878 1.879 1.00 0.12 H new ATOM 0 HG22 ILE B 43 0.849 2.508 3.268 1.00 0.12 H new ATOM 0 HG23 ILE B 43 1.565 4.129 3.101 1.00 0.12 H new ATOM 0 HD11 ILE B 43 5.639 3.331 1.674 1.00 0.47 H new ATOM 0 HD12 ILE B 43 4.996 1.724 2.088 1.00 0.47 H new ATOM 0 HD13 ILE B 43 3.993 2.875 1.173 1.00 0.47 H new ATOM 1609 N ILE B 44 0.403 2.664 5.891 1.00 0.12 N ATOM 1610 CA ILE B 44 -0.781 2.006 6.437 1.00 0.13 C ATOM 1611 C ILE B 44 -1.944 2.141 5.462 1.00 0.12 C ATOM 1612 O ILE B 44 -2.541 3.205 5.352 1.00 0.12 O ATOM 1613 CB ILE B 44 -1.232 2.607 7.798 1.00 0.14 C ATOM 1614 CG1 ILE B 44 -0.144 3.482 8.437 1.00 0.14 C ATOM 1615 CG2 ILE B 44 -1.642 1.493 8.751 1.00 0.18 C ATOM 1616 CD1 ILE B 44 1.062 2.728 8.953 1.00 0.15 C ATOM 0 H ILE B 44 0.259 3.641 5.635 1.00 0.12 H new ATOM 0 HA ILE B 44 -0.507 0.962 6.593 1.00 0.13 H new ATOM 0 HB ILE B 44 -2.089 3.251 7.602 1.00 0.14 H new ATOM 0 HG12 ILE B 44 0.191 4.214 7.702 1.00 0.14 H new ATOM 0 HG13 ILE B 44 -0.586 4.039 9.263 1.00 0.14 H new ATOM 0 HG21 ILE B 44 -1.956 1.924 9.701 1.00 0.18 H new ATOM 0 HG22 ILE B 44 -2.468 0.929 8.318 1.00 0.18 H new ATOM 0 HG23 ILE B 44 -0.796 0.827 8.917 1.00 0.18 H new ATOM 0 HD11 ILE B 44 1.773 3.432 9.385 1.00 0.15 H new ATOM 0 HD12 ILE B 44 0.747 2.016 9.716 1.00 0.15 H new ATOM 0 HD13 ILE B 44 1.536 2.193 8.130 1.00 0.15 H new ATOM 1628 N LEU B 45 -2.257 1.079 4.748 1.00 0.13 N ATOM 1629 CA LEU B 45 -3.363 1.106 3.806 1.00 0.12 C ATOM 1630 C LEU B 45 -4.626 0.564 4.453 1.00 0.12 C ATOM 1631 O LEU B 45 -4.728 -0.625 4.734 1.00 0.12 O ATOM 1632 CB LEU B 45 -3.050 0.279 2.551 1.00 0.12 C ATOM 1633 CG LEU B 45 -2.295 1.008 1.440 1.00 0.11 C ATOM 1634 CD1 LEU B 45 -0.901 1.394 1.893 1.00 0.12 C ATOM 1635 CD2 LEU B 45 -2.224 0.140 0.193 1.00 0.12 C ATOM 0 H LEU B 45 -1.764 0.187 4.800 1.00 0.13 H new ATOM 0 HA LEU B 45 -3.515 2.145 3.514 1.00 0.12 H new ATOM 0 HB2 LEU B 45 -2.466 -0.591 2.850 1.00 0.12 H new ATOM 0 HB3 LEU B 45 -3.989 -0.093 2.141 1.00 0.12 H new ATOM 0 HG LEU B 45 -2.839 1.922 1.203 1.00 0.11 H new ATOM 0 HD11 LEU B 45 -0.386 1.911 1.084 1.00 0.12 H new ATOM 0 HD12 LEU B 45 -0.969 2.052 2.759 1.00 0.12 H new ATOM 0 HD13 LEU B 45 -0.344 0.496 2.163 1.00 0.12 H new ATOM 0 HD21 LEU B 45 -1.684 0.672 -0.590 1.00 0.12 H new ATOM 0 HD22 LEU B 45 -1.704 -0.789 0.426 1.00 0.12 H new ATOM 0 HD23 LEU B 45 -3.233 -0.085 -0.151 1.00 0.12 H new ATOM 1647 N LYS B 46 -5.579 1.433 4.709 1.00 0.15 N ATOM 1648 CA LYS B 46 -6.890 0.996 5.157 1.00 0.18 C ATOM 1649 C LYS B 46 -7.882 1.301 4.065 1.00 0.20 C ATOM 1650 O LYS B 46 -7.632 2.159 3.248 1.00 0.44 O ATOM 1651 CB LYS B 46 -7.279 1.675 6.481 1.00 0.30 C ATOM 1652 CG LYS B 46 -8.715 1.403 6.914 1.00 0.93 C ATOM 1653 CD LYS B 46 -8.943 1.761 8.373 1.00 1.04 C ATOM 1654 CE LYS B 46 -8.417 0.677 9.302 1.00 1.68 C ATOM 1655 NZ LYS B 46 -8.756 0.957 10.721 1.00 1.98 N ATOM 0 H LYS B 46 -5.475 2.443 4.616 1.00 0.15 H new ATOM 0 HA LYS B 46 -6.880 -0.076 5.353 1.00 0.18 H new ATOM 0 HB2 LYS B 46 -6.603 1.335 7.265 1.00 0.30 H new ATOM 0 HB3 LYS B 46 -7.137 2.751 6.382 1.00 0.30 H new ATOM 0 HG2 LYS B 46 -9.398 1.977 6.288 1.00 0.93 H new ATOM 0 HG3 LYS B 46 -8.948 0.350 6.758 1.00 0.93 H new ATOM 0 HD2 LYS B 46 -8.449 2.706 8.598 1.00 1.04 H new ATOM 0 HD3 LYS B 46 -10.008 1.908 8.550 1.00 1.04 H new ATOM 0 HE2 LYS B 46 -8.836 -0.286 9.011 1.00 1.68 H new ATOM 0 HE3 LYS B 46 -7.335 0.599 9.195 1.00 1.68 H new ATOM 0 HZ1 LYS B 46 -8.381 0.197 11.324 1.00 1.98 H new ATOM 0 HZ2 LYS B 46 -8.335 1.864 11.006 1.00 1.98 H new ATOM 0 HZ3 LYS B 46 -9.789 1.006 10.828 1.00 1.98 H new ATOM 1669 N LYS B 47 -8.965 0.561 4.007 1.00 0.18 N ATOM 1670 CA LYS B 47 -10.001 0.828 3.022 1.00 0.22 C ATOM 1671 C LYS B 47 -10.519 2.251 3.201 1.00 0.23 C ATOM 1672 O LYS B 47 -10.591 2.748 4.328 1.00 0.32 O ATOM 1673 CB LYS B 47 -11.143 -0.184 3.163 1.00 0.38 C ATOM 1674 CG LYS B 47 -11.878 -0.105 4.496 1.00 0.54 C ATOM 1675 CD LYS B 47 -13.152 -0.929 4.487 1.00 0.88 C ATOM 1676 CE LYS B 47 -12.865 -2.388 4.780 1.00 1.63 C ATOM 1677 NZ LYS B 47 -12.715 -2.646 6.240 1.00 2.20 N ATOM 0 H LYS B 47 -9.156 -0.228 4.625 1.00 0.18 H new ATOM 0 HA LYS B 47 -9.581 0.727 2.021 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.858 -0.025 2.355 1.00 0.38 H new ATOM 0 HB3 LYS B 47 -10.741 -1.190 3.040 1.00 0.38 H new ATOM 0 HG2 LYS B 47 -11.223 -0.457 5.293 1.00 0.54 H new ATOM 0 HG3 LYS B 47 -12.119 0.935 4.717 1.00 0.54 H new ATOM 0 HD2 LYS B 47 -13.847 -0.536 5.229 1.00 0.88 H new ATOM 0 HD3 LYS B 47 -13.639 -0.840 3.516 1.00 0.88 H new ATOM 0 HE2 LYS B 47 -13.673 -3.003 4.385 1.00 1.63 H new ATOM 0 HE3 LYS B 47 -11.954 -2.689 4.263 1.00 1.63 H new ATOM 0 HZ1 LYS B 47 -13.070 -3.598 6.463 1.00 2.20 H new ATOM 0 HZ2 LYS B 47 -11.711 -2.580 6.503 1.00 2.20 H new ATOM 0 HZ3 LYS B 47 -13.260 -1.940 6.775 1.00 2.20 H new ATOM 1691 N TYR B 48 -10.851 2.913 2.098 1.00 0.23 N ATOM 1692 CA TYR B 48 -11.313 4.290 2.164 1.00 0.31 C ATOM 1693 C TYR B 48 -12.586 4.363 3.000 1.00 0.50 C ATOM 1694 O TYR B 48 -13.342 3.393 3.069 1.00 0.60 O ATOM 1695 CB TYR B 48 -11.532 4.866 0.761 1.00 0.27 C ATOM 1696 CG TYR B 48 -12.913 4.631 0.183 1.00 0.85 C ATOM 1697 CD1 TYR B 48 -13.300 3.382 -0.288 1.00 1.77 C ATOM 1698 CD2 TYR B 48 -13.829 5.674 0.109 1.00 1.70 C ATOM 1699 CE1 TYR B 48 -14.561 3.181 -0.816 1.00 2.45 C ATOM 1700 CE2 TYR B 48 -15.089 5.481 -0.417 1.00 2.36 C ATOM 1701 CZ TYR B 48 -15.452 4.233 -0.876 1.00 2.50 C ATOM 1702 OH TYR B 48 -16.710 4.040 -1.400 1.00 3.32 O ATOM 0 H TYR B 48 -10.809 2.521 1.157 1.00 0.23 H new ATOM 0 HA TYR B 48 -10.546 4.898 2.644 1.00 0.31 H new ATOM 0 HB2 TYR B 48 -11.345 5.939 0.791 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -10.793 4.433 0.087 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -12.605 2.557 -0.241 1.00 1.77 H new ATOM 0 HD2 TYR B 48 -13.549 6.653 0.470 1.00 1.70 H new ATOM 0 HE1 TYR B 48 -14.848 2.205 -1.180 1.00 2.45 H new ATOM 0 HE2 TYR B 48 -15.787 6.303 -0.469 1.00 2.36 H new ATOM 0 HH TYR B 48 -17.211 4.882 -1.367 1.00 3.32 H new