USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 808 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 160:sc= -0.592 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0141) USER MOD Single : A 18 MET CE :methyl -142:sc= -6.4! (180deg=-9.57!) USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= 1.37 (180deg=0.383) USER MOD Single : A 33 SER OG : rot -13:sc= 0.416 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.84) USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= 0.00979 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -128:sc= 1.93 (180deg=0.205) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 150:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ -173:sc= -0.769 (180deg=-1.06) USER MOD Single : B 18 MET CE :methyl 140:sc= -1.52 (180deg=-5.14!) USER MOD Single : B 31 LYS NZ :NH3+ 142:sc= 1.12 (180deg=0.264) USER MOD Single : B 33 SER OG : rot -20:sc= 0.563 USER MOD Single : B 42 LYS NZ :NH3+ -147:sc= -1.25 (180deg=-2.68!) USER MOD Single : B 46 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.12) USER MOD Single : B 47 LYS NZ :NH3+ -170:sc= 2.28 (180deg=2.06) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -3.129 6.729 -11.060 1.00 0.41 N ATOM 43 CA SER A 3 -1.883 6.743 -11.800 1.00 0.39 C ATOM 44 C SER A 3 -1.552 5.335 -12.273 1.00 0.37 C ATOM 45 O SER A 3 -1.193 5.120 -13.430 1.00 0.48 O ATOM 46 CB SER A 3 -0.761 7.283 -10.920 1.00 0.37 C ATOM 47 OG SER A 3 0.416 7.499 -11.670 1.00 1.00 O ATOM 0 HA SER A 3 -1.988 7.393 -12.669 1.00 0.39 H new ATOM 0 HB2 SER A 3 -1.077 8.217 -10.456 1.00 0.37 H new ATOM 0 HB3 SER A 3 -0.557 6.579 -10.113 1.00 0.37 H new ATOM 0 HG SER A 3 0.999 8.124 -11.191 1.00 1.00 H new ATOM 53 N ILE A 4 -1.682 4.378 -11.366 1.00 0.29 N ATOM 54 CA ILE A 4 -1.449 2.983 -11.695 1.00 0.27 C ATOM 55 C ILE A 4 -2.748 2.367 -12.200 1.00 0.29 C ATOM 56 O ILE A 4 -2.746 1.466 -13.038 1.00 0.34 O ATOM 57 CB ILE A 4 -0.939 2.191 -10.471 1.00 0.25 C ATOM 58 CG1 ILE A 4 -0.002 3.063 -9.626 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.220 0.928 -10.927 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.472 2.400 -8.350 1.00 0.26 C ATOM 0 H ILE A 4 -1.948 4.544 -10.395 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.682 2.934 -12.468 1.00 0.27 H new ATOM 0 HB ILE A 4 -1.793 1.905 -9.857 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.866 3.334 -10.227 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.516 3.990 -9.372 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.135 0.377 -10.056 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.908 0.303 -11.496 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.628 1.199 -11.556 1.00 0.26 H new ATOM 0 HD11 ILE A 4 1.130 3.080 -7.809 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.388 2.154 -7.727 1.00 0.26 H new ATOM 0 HD13 ILE A 4 1.016 1.487 -8.594 1.00 0.26 H new ATOM 72 N GLY A 5 -3.859 2.881 -11.676 1.00 0.31 N ATOM 73 CA GLY A 5 -5.170 2.459 -12.126 1.00 0.35 C ATOM 74 C GLY A 5 -5.563 1.100 -11.600 1.00 0.33 C ATOM 75 O GLY A 5 -6.436 0.437 -12.164 1.00 0.51 O ATOM 0 H GLY A 5 -3.871 3.588 -10.941 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -5.911 3.193 -11.810 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.186 2.440 -13.216 1.00 0.35 H new ATOM 79 N VAL A 6 -4.935 0.685 -10.515 1.00 0.18 N ATOM 80 CA VAL A 6 -5.187 -0.629 -9.961 1.00 0.15 C ATOM 81 C VAL A 6 -5.723 -0.548 -8.537 1.00 0.14 C ATOM 82 O VAL A 6 -5.204 0.182 -7.685 1.00 0.17 O ATOM 83 CB VAL A 6 -3.916 -1.509 -9.980 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.493 -1.816 -11.407 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.782 -0.837 -9.229 1.00 0.17 C ATOM 0 H VAL A 6 -4.249 1.239 -10.002 1.00 0.18 H new ATOM 0 HA VAL A 6 -5.945 -1.089 -10.596 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.152 -2.448 -9.480 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.597 -2.436 -11.395 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.296 -2.348 -11.918 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.283 -0.885 -11.933 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.899 -1.475 -9.256 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.552 0.120 -9.697 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.079 -0.672 -8.193 1.00 0.17 H new ATOM 95 N VAL A 7 -6.782 -1.310 -8.318 1.00 0.14 N ATOM 96 CA VAL A 7 -7.357 -1.495 -7.007 1.00 0.13 C ATOM 97 C VAL A 7 -7.107 -2.930 -6.566 1.00 0.14 C ATOM 98 O VAL A 7 -7.158 -3.858 -7.377 1.00 0.17 O ATOM 99 CB VAL A 7 -8.875 -1.174 -6.990 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.655 -2.105 -7.908 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.422 -1.231 -5.570 1.00 0.13 C ATOM 0 H VAL A 7 -7.267 -1.820 -9.056 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.882 -0.801 -6.313 1.00 0.13 H new ATOM 0 HB VAL A 7 -9.002 -0.159 -7.368 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.714 -1.850 -7.870 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.292 -1.996 -8.930 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.518 -3.136 -7.582 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.488 -1.003 -5.581 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.269 -2.230 -5.161 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.901 -0.501 -4.950 1.00 0.13 H new ATOM 111 N ARG A 8 -6.803 -3.110 -5.301 1.00 0.14 N ATOM 112 CA ARG A 8 -6.452 -4.416 -4.789 1.00 0.15 C ATOM 113 C ARG A 8 -7.481 -4.891 -3.800 1.00 0.14 C ATOM 114 O ARG A 8 -8.195 -4.096 -3.201 1.00 0.17 O ATOM 115 CB ARG A 8 -5.074 -4.402 -4.134 1.00 0.18 C ATOM 116 CG ARG A 8 -3.986 -5.012 -5.001 1.00 0.28 C ATOM 117 CD ARG A 8 -4.032 -4.453 -6.414 1.00 0.34 C ATOM 118 NE ARG A 8 -2.978 -4.986 -7.273 1.00 0.67 N ATOM 119 CZ ARG A 8 -3.101 -5.123 -8.594 1.00 0.56 C ATOM 120 NH1 ARG A 8 -4.231 -4.760 -9.193 1.00 0.87 N ATOM 121 NH2 ARG A 8 -2.095 -5.620 -9.309 1.00 1.21 N ATOM 0 H ARG A 8 -6.792 -2.365 -4.604 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.425 -5.104 -5.634 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -4.804 -3.373 -3.896 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.123 -4.945 -3.190 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.010 -4.811 -4.559 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.106 -6.095 -5.031 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -5.002 -4.678 -6.857 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -3.945 -3.367 -6.372 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.099 -5.269 -6.839 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -5.000 -4.378 -8.643 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -4.329 -4.863 -10.203 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -1.229 -5.897 -8.847 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -2.190 -5.724 -10.319 1.00 1.21 H new ATOM 135 N LYS A 9 -7.567 -6.189 -3.663 1.00 0.14 N ATOM 136 CA LYS A 9 -8.484 -6.796 -2.733 1.00 0.15 C ATOM 137 C LYS A 9 -7.683 -7.514 -1.663 1.00 0.17 C ATOM 138 O LYS A 9 -6.870 -8.386 -1.974 1.00 0.22 O ATOM 139 CB LYS A 9 -9.426 -7.763 -3.466 1.00 0.22 C ATOM 140 CG LYS A 9 -10.715 -7.128 -3.999 1.00 0.51 C ATOM 141 CD LYS A 9 -10.479 -5.872 -4.841 1.00 0.36 C ATOM 142 CE LYS A 9 -9.605 -6.142 -6.065 1.00 0.98 C ATOM 143 NZ LYS A 9 -10.256 -7.062 -7.034 1.00 1.13 N ATOM 0 H LYS A 9 -7.004 -6.855 -4.192 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.103 -6.031 -2.264 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -8.886 -8.210 -4.301 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -9.691 -8.573 -2.787 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -11.250 -7.863 -4.601 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -11.360 -6.875 -3.157 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.439 -5.471 -5.166 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.007 -5.108 -4.223 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -9.377 -5.198 -6.561 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -8.656 -6.570 -5.743 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -9.639 -7.187 -7.862 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -10.420 -7.984 -6.581 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -11.165 -6.659 -7.338 1.00 1.13 H new ATOM 157 N VAL A 10 -7.888 -7.115 -0.417 1.00 0.16 N ATOM 158 CA VAL A 10 -7.177 -7.692 0.713 1.00 0.18 C ATOM 159 C VAL A 10 -7.346 -9.205 0.727 1.00 0.20 C ATOM 160 O VAL A 10 -8.404 -9.718 0.384 1.00 0.24 O ATOM 161 CB VAL A 10 -7.673 -7.070 2.044 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.384 -7.966 3.235 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.030 -5.711 2.254 1.00 0.18 C ATOM 0 H VAL A 10 -8.551 -6.383 -0.161 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.116 -7.466 0.608 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.755 -6.959 1.969 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.749 -7.490 4.145 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.886 -8.924 3.100 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.309 -8.128 3.316 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.384 -5.282 3.191 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -5.946 -5.823 2.293 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.297 -5.051 1.429 1.00 0.18 H new ATOM 173 N ASP A 11 -6.289 -9.909 1.080 1.00 0.17 N ATOM 174 CA ASP A 11 -6.323 -11.360 1.128 1.00 0.21 C ATOM 175 C ASP A 11 -7.309 -11.795 2.199 1.00 0.22 C ATOM 176 O ASP A 11 -8.436 -12.179 1.894 1.00 0.24 O ATOM 177 CB ASP A 11 -4.927 -11.917 1.416 1.00 0.24 C ATOM 178 CG ASP A 11 -4.810 -13.394 1.108 1.00 0.58 C ATOM 179 OD1 ASP A 11 -4.482 -13.736 -0.046 1.00 1.30 O ATOM 180 OD2 ASP A 11 -5.029 -14.215 2.025 1.00 1.31 O ATOM 0 H ASP A 11 -5.392 -9.499 1.339 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.645 -11.752 0.163 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.193 -11.368 0.826 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.683 -11.749 2.465 1.00 0.24 H new ATOM 185 N GLU A 12 -6.877 -11.714 3.450 1.00 0.23 N ATOM 186 CA GLU A 12 -7.758 -11.897 4.603 1.00 0.25 C ATOM 187 C GLU A 12 -7.201 -11.090 5.776 1.00 0.26 C ATOM 188 O GLU A 12 -7.943 -10.523 6.577 1.00 0.30 O ATOM 189 CB GLU A 12 -7.866 -13.376 5.009 1.00 0.29 C ATOM 190 CG GLU A 12 -8.212 -14.322 3.870 1.00 0.33 C ATOM 191 CD GLU A 12 -8.500 -15.728 4.348 1.00 0.40 C ATOM 192 OE1 GLU A 12 -7.535 -16.481 4.600 1.00 1.23 O ATOM 193 OE2 GLU A 12 -9.690 -16.089 4.470 1.00 1.10 O ATOM 0 H GLU A 12 -5.907 -11.520 3.698 1.00 0.23 H new ATOM 0 HA GLU A 12 -8.756 -11.553 4.332 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -6.919 -13.689 5.448 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.624 -13.471 5.786 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.081 -13.939 3.336 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.386 -14.346 3.159 1.00 0.33 H new ATOM 200 N LEU A 13 -5.872 -11.053 5.857 1.00 0.26 N ATOM 201 CA LEU A 13 -5.162 -10.332 6.916 1.00 0.27 C ATOM 202 C LEU A 13 -4.942 -8.871 6.552 1.00 0.26 C ATOM 203 O LEU A 13 -4.670 -8.040 7.415 1.00 0.41 O ATOM 204 CB LEU A 13 -3.792 -10.962 7.132 1.00 0.30 C ATOM 205 CG LEU A 13 -3.766 -12.479 7.223 1.00 0.31 C ATOM 206 CD1 LEU A 13 -2.352 -12.972 6.990 1.00 0.85 C ATOM 207 CD2 LEU A 13 -4.288 -12.943 8.572 1.00 0.72 C ATOM 0 H LEU A 13 -5.256 -11.521 5.192 1.00 0.26 H new ATOM 0 HA LEU A 13 -5.775 -10.392 7.815 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.139 -10.655 6.315 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.367 -10.555 8.049 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.417 -12.897 6.455 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -2.331 -14.060 7.055 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -2.017 -12.661 6.001 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -1.690 -12.550 7.747 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -4.261 -14.032 8.618 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -3.664 -12.531 9.365 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -5.314 -12.599 8.703 1.00 0.72 H new ATOM 219 N GLY A 14 -5.038 -8.567 5.274 1.00 0.17 N ATOM 220 CA GLY A 14 -4.682 -7.243 4.804 1.00 0.16 C ATOM 221 C GLY A 14 -3.633 -7.310 3.721 1.00 0.12 C ATOM 222 O GLY A 14 -3.288 -6.307 3.109 1.00 0.12 O ATOM 0 H GLY A 14 -5.356 -9.210 4.549 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.570 -6.739 4.423 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.310 -6.647 5.637 1.00 0.16 H new ATOM 226 N ARG A 15 -3.130 -8.509 3.483 1.00 0.12 N ATOM 227 CA ARG A 15 -2.122 -8.729 2.458 1.00 0.11 C ATOM 228 C ARG A 15 -2.715 -8.493 1.071 1.00 0.10 C ATOM 229 O ARG A 15 -3.733 -9.084 0.725 1.00 0.14 O ATOM 230 CB ARG A 15 -1.587 -10.164 2.546 1.00 0.15 C ATOM 231 CG ARG A 15 -1.254 -10.615 3.961 1.00 0.25 C ATOM 232 CD ARG A 15 -0.614 -11.991 3.972 1.00 0.40 C ATOM 233 NE ARG A 15 0.669 -12.019 3.277 1.00 1.45 N ATOM 234 CZ ARG A 15 1.004 -12.939 2.378 1.00 1.87 C ATOM 235 NH1 ARG A 15 0.133 -13.877 2.021 1.00 1.51 N ATOM 236 NH2 ARG A 15 2.218 -12.923 1.836 1.00 3.03 N ATOM 0 H ARG A 15 -3.405 -9.351 3.989 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.305 -8.027 2.621 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.328 -10.843 2.124 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.692 -10.245 1.930 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.579 -9.895 4.424 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.163 -10.631 4.562 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -0.471 -12.313 5.004 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -1.291 -12.706 3.506 1.00 0.40 H new ATOM 0 HE ARG A 15 1.348 -11.290 3.494 1.00 1.45 H new ATOM 0 HH11 ARG A 15 -0.798 -13.893 2.437 1.00 1.51 H new ATOM 0 HH12 ARG A 15 0.395 -14.580 1.331 1.00 1.51 H new ATOM 0 HH21 ARG A 15 2.890 -12.206 2.110 1.00 3.03 H new ATOM 0 HH22 ARG A 15 2.478 -13.628 1.146 1.00 3.03 H new ATOM 250 N ILE A 16 -2.095 -7.619 0.290 1.00 0.09 N ATOM 251 CA ILE A 16 -2.553 -7.353 -1.071 1.00 0.09 C ATOM 252 C ILE A 16 -1.357 -7.411 -2.017 1.00 0.10 C ATOM 253 O ILE A 16 -0.219 -7.552 -1.573 1.00 0.12 O ATOM 254 CB ILE A 16 -3.276 -5.981 -1.206 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.293 -4.869 -1.568 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.021 -5.630 0.076 1.00 0.13 C ATOM 257 CD1 ILE A 16 -2.908 -3.484 -1.553 1.00 0.13 C ATOM 0 H ILE A 16 -1.275 -7.082 0.573 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.285 -8.118 -1.332 1.00 0.09 H new ATOM 0 HB ILE A 16 -4.001 -6.071 -2.015 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.457 -4.893 -0.869 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.885 -5.065 -2.560 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.518 -4.667 -0.044 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.765 -6.398 0.287 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.314 -5.573 0.904 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.151 -2.747 -1.820 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.726 -3.441 -2.273 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.291 -3.267 -0.556 1.00 0.13 H new ATOM 269 N VAL A 17 -1.607 -7.290 -3.308 1.00 0.10 N ATOM 270 CA VAL A 17 -0.546 -7.403 -4.294 1.00 0.11 C ATOM 271 C VAL A 17 -0.140 -6.026 -4.820 1.00 0.12 C ATOM 272 O VAL A 17 -0.847 -5.420 -5.627 1.00 0.19 O ATOM 273 CB VAL A 17 -0.948 -8.343 -5.462 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.306 -7.972 -6.050 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.127 -8.351 -6.541 1.00 0.17 C ATOM 0 H VAL A 17 -2.533 -7.114 -3.698 1.00 0.10 H new ATOM 0 HA VAL A 17 0.316 -7.847 -3.796 1.00 0.11 H new ATOM 0 HB VAL A 17 -1.037 -9.350 -5.054 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.549 -8.655 -6.864 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -3.070 -8.045 -5.276 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.271 -6.951 -6.431 1.00 0.19 H new ATOM 0 HG21 VAL A 17 -0.175 -9.016 -7.350 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.259 -7.342 -6.931 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.067 -8.701 -6.115 1.00 0.17 H new ATOM 285 N MET A 18 0.983 -5.520 -4.330 1.00 0.11 N ATOM 286 CA MET A 18 1.518 -4.254 -4.820 1.00 0.12 C ATOM 287 C MET A 18 2.134 -4.464 -6.192 1.00 0.11 C ATOM 288 O MET A 18 2.626 -5.551 -6.494 1.00 0.13 O ATOM 289 CB MET A 18 2.552 -3.677 -3.855 1.00 0.15 C ATOM 290 CG MET A 18 1.918 -2.999 -2.662 1.00 0.28 C ATOM 291 SD MET A 18 0.984 -1.542 -3.148 1.00 0.84 S ATOM 292 CE MET A 18 -0.107 -1.401 -1.749 1.00 0.80 C ATOM 0 H MET A 18 1.539 -5.962 -3.598 1.00 0.11 H new ATOM 0 HA MET A 18 0.701 -3.537 -4.893 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.206 -4.477 -3.508 1.00 0.15 H new ATOM 0 HB3 MET A 18 3.178 -2.960 -4.385 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.259 -3.701 -2.152 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.693 -2.714 -1.950 1.00 0.28 H new ATOM 0 HE1 MET A 18 -1.094 -1.086 -2.088 1.00 0.80 H new ATOM 0 HE2 MET A 18 -0.186 -2.367 -1.250 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.290 -0.664 -1.051 1.00 0.80 H new ATOM 302 N PRO A 19 2.118 -3.438 -7.045 1.00 0.12 N ATOM 303 CA PRO A 19 2.539 -3.585 -8.423 1.00 0.13 C ATOM 304 C PRO A 19 4.050 -3.533 -8.602 1.00 0.13 C ATOM 305 O PRO A 19 4.787 -2.944 -7.793 1.00 0.13 O ATOM 306 CB PRO A 19 1.868 -2.401 -9.115 1.00 0.15 C ATOM 307 CG PRO A 19 1.768 -1.346 -8.067 1.00 0.16 C ATOM 308 CD PRO A 19 1.707 -2.057 -6.735 1.00 0.15 C ATOM 0 HA PRO A 19 2.259 -4.557 -8.829 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.456 -2.057 -9.966 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.884 -2.673 -9.496 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.628 -0.677 -8.109 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.879 -0.733 -8.219 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.374 -1.597 -6.007 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.703 -2.025 -6.312 1.00 0.15 H new ATOM 316 N ILE A 20 4.511 -4.151 -9.677 1.00 0.15 N ATOM 317 CA ILE A 20 5.903 -4.052 -10.069 1.00 0.16 C ATOM 318 C ILE A 20 6.270 -2.581 -10.236 1.00 0.16 C ATOM 319 O ILE A 20 7.384 -2.170 -9.950 1.00 0.16 O ATOM 320 CB ILE A 20 6.166 -4.823 -11.385 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.597 -4.603 -11.888 1.00 0.24 C ATOM 322 CG2 ILE A 20 5.156 -4.420 -12.451 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.665 -5.151 -10.968 1.00 0.26 C ATOM 0 H ILE A 20 3.938 -4.727 -10.294 1.00 0.15 H new ATOM 0 HA ILE A 20 6.522 -4.500 -9.292 1.00 0.16 H new ATOM 0 HB ILE A 20 6.048 -5.886 -11.176 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.702 -5.069 -12.868 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.763 -3.534 -12.024 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.356 -4.972 -13.369 1.00 0.22 H new ATOM 0 HG22 ILE A 20 4.149 -4.648 -12.103 1.00 0.22 H new ATOM 0 HG23 ILE A 20 5.239 -3.351 -12.645 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.649 -4.955 -11.395 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.589 -4.667 -9.994 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.528 -6.226 -10.851 1.00 0.26 H new ATOM 335 N GLU A 21 5.284 -1.796 -10.654 1.00 0.16 N ATOM 336 CA GLU A 21 5.426 -0.354 -10.820 1.00 0.17 C ATOM 337 C GLU A 21 5.823 0.315 -9.513 1.00 0.16 C ATOM 338 O GLU A 21 6.525 1.316 -9.511 1.00 0.19 O ATOM 339 CB GLU A 21 4.098 0.214 -11.302 1.00 0.18 C ATOM 340 CG GLU A 21 3.515 -0.572 -12.455 1.00 0.21 C ATOM 341 CD GLU A 21 4.347 -0.449 -13.709 1.00 0.28 C ATOM 342 OE1 GLU A 21 4.283 0.607 -14.374 1.00 1.03 O ATOM 343 OE2 GLU A 21 5.085 -1.405 -14.027 1.00 1.08 O ATOM 0 H GLU A 21 4.355 -2.145 -10.889 1.00 0.16 H new ATOM 0 HA GLU A 21 6.213 -0.159 -11.549 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.388 0.220 -10.475 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.240 1.250 -11.608 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.438 -1.622 -12.174 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.503 -0.221 -12.657 1.00 0.21 H new ATOM 350 N LEU A 22 5.384 -0.259 -8.402 1.00 0.14 N ATOM 351 CA LEU A 22 5.730 0.257 -7.090 1.00 0.15 C ATOM 352 C LEU A 22 7.164 -0.120 -6.790 1.00 0.15 C ATOM 353 O LEU A 22 7.952 0.682 -6.282 1.00 0.17 O ATOM 354 CB LEU A 22 4.769 -0.304 -6.032 1.00 0.18 C ATOM 355 CG LEU A 22 5.390 -0.658 -4.677 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.437 -0.306 -3.549 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.726 -2.141 -4.624 1.00 0.20 C ATOM 0 H LEU A 22 4.786 -1.085 -8.386 1.00 0.14 H new ATOM 0 HA LEU A 22 5.636 1.343 -7.072 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.977 0.427 -5.866 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.297 -1.199 -6.437 1.00 0.18 H new ATOM 0 HG LEU A 22 6.307 -0.081 -4.557 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.893 -0.564 -2.593 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.224 0.763 -3.573 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.508 -0.864 -3.670 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.167 -2.380 -3.656 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.816 -2.725 -4.763 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.436 -2.382 -5.415 1.00 0.20 H new ATOM 369 N ARG A 23 7.503 -1.349 -7.153 1.00 0.13 N ATOM 370 CA ARG A 23 8.868 -1.835 -6.998 1.00 0.16 C ATOM 371 C ARG A 23 9.820 -1.027 -7.880 1.00 0.20 C ATOM 372 O ARG A 23 10.991 -0.842 -7.547 1.00 0.25 O ATOM 373 CB ARG A 23 8.966 -3.332 -7.340 1.00 0.18 C ATOM 374 CG ARG A 23 8.059 -4.226 -6.500 1.00 0.17 C ATOM 375 CD ARG A 23 8.451 -5.696 -6.613 1.00 0.24 C ATOM 376 NE ARG A 23 7.798 -6.378 -7.731 1.00 0.69 N ATOM 377 CZ ARG A 23 8.320 -7.433 -8.368 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.544 -7.853 -8.075 1.00 0.46 N ATOM 379 NH2 ARG A 23 7.622 -8.060 -9.305 1.00 1.05 N ATOM 0 H ARG A 23 6.855 -2.026 -7.555 1.00 0.13 H new ATOM 0 HA ARG A 23 9.156 -1.707 -5.955 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.719 -3.470 -8.393 1.00 0.18 H new ATOM 0 HB3 ARG A 23 9.999 -3.656 -7.210 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.108 -3.916 -5.456 1.00 0.17 H new ATOM 0 HG3 ARG A 23 7.025 -4.100 -6.822 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.532 -5.770 -6.731 1.00 0.24 H new ATOM 0 HD3 ARG A 23 8.196 -6.207 -5.684 1.00 0.24 H new ATOM 0 HE ARG A 23 6.892 -6.029 -8.043 1.00 0.69 H new ATOM 0 HH11 ARG A 23 10.091 -7.371 -7.362 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.938 -8.657 -8.563 1.00 0.46 H new ATOM 0 HH21 ARG A 23 6.684 -7.739 -9.543 1.00 1.05 H new ATOM 0 HH22 ARG A 23 8.024 -8.864 -9.788 1.00 1.05 H new ATOM 393 N ARG A 24 9.288 -0.536 -8.989 1.00 0.18 N ATOM 394 CA ARG A 24 10.058 0.220 -9.967 1.00 0.21 C ATOM 395 C ARG A 24 10.126 1.690 -9.580 1.00 0.23 C ATOM 396 O ARG A 24 11.139 2.353 -9.795 1.00 0.27 O ATOM 397 CB ARG A 24 9.421 0.072 -11.348 1.00 0.22 C ATOM 398 CG ARG A 24 9.462 -1.349 -11.882 1.00 0.23 C ATOM 399 CD ARG A 24 8.645 -1.486 -13.159 1.00 0.25 C ATOM 400 NE ARG A 24 9.226 -0.716 -14.254 1.00 0.35 N ATOM 401 CZ ARG A 24 8.529 -0.185 -15.258 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.215 -0.352 -15.335 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.158 0.510 -16.195 1.00 0.71 N ATOM 0 H ARG A 24 8.305 -0.651 -9.238 1.00 0.18 H new ATOM 0 HA ARG A 24 11.074 -0.175 -9.992 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.384 0.404 -11.299 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.934 0.731 -12.049 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.495 -1.636 -12.077 1.00 0.23 H new ATOM 0 HG3 ARG A 24 9.077 -2.034 -11.127 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.587 -2.537 -13.443 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.625 -1.148 -12.977 1.00 0.25 H new ATOM 0 HE ARG A 24 10.236 -0.574 -14.251 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.727 -0.892 -14.621 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.693 0.060 -16.109 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.169 0.635 -16.145 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.631 0.919 -16.966 1.00 0.71 H new ATOM 417 N ALA A 25 9.034 2.187 -9.008 1.00 0.21 N ATOM 418 CA ALA A 25 8.947 3.582 -8.597 1.00 0.23 C ATOM 419 C ALA A 25 9.944 3.856 -7.495 1.00 0.25 C ATOM 420 O ALA A 25 10.613 4.891 -7.472 1.00 0.26 O ATOM 421 CB ALA A 25 7.544 3.911 -8.118 1.00 0.23 C ATOM 0 H ALA A 25 8.194 1.641 -8.818 1.00 0.21 H new ATOM 0 HA ALA A 25 9.177 4.212 -9.456 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.499 4.957 -7.815 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.833 3.736 -8.926 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.291 3.276 -7.269 1.00 0.23 H new ATOM 427 N LEU A 26 10.035 2.907 -6.588 1.00 0.30 N ATOM 428 CA LEU A 26 10.962 2.989 -5.490 1.00 0.36 C ATOM 429 C LEU A 26 12.274 2.309 -5.856 1.00 0.39 C ATOM 430 O LEU A 26 13.066 2.840 -6.637 1.00 0.52 O ATOM 431 CB LEU A 26 10.329 2.342 -4.262 1.00 0.33 C ATOM 432 CG LEU A 26 9.091 3.064 -3.732 1.00 0.37 C ATOM 433 CD1 LEU A 26 8.356 2.202 -2.718 1.00 0.37 C ATOM 434 CD2 LEU A 26 9.483 4.396 -3.110 1.00 0.47 C ATOM 0 H LEU A 26 9.467 2.060 -6.595 1.00 0.30 H new ATOM 0 HA LEU A 26 11.184 4.033 -5.267 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.058 1.315 -4.507 1.00 0.33 H new ATOM 0 HB3 LEU A 26 11.074 2.294 -3.468 1.00 0.33 H new ATOM 0 HG LEU A 26 8.419 3.252 -4.570 1.00 0.37 H new ATOM 0 HD11 LEU A 26 7.478 2.736 -2.354 1.00 0.37 H new ATOM 0 HD12 LEU A 26 8.044 1.271 -3.190 1.00 0.37 H new ATOM 0 HD13 LEU A 26 9.018 1.980 -1.881 1.00 0.37 H new ATOM 0 HD21 LEU A 26 8.591 4.900 -2.737 1.00 0.47 H new ATOM 0 HD22 LEU A 26 10.174 4.223 -2.285 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.965 5.021 -3.862 1.00 0.47 H new ATOM 446 N ASP A 27 12.476 1.125 -5.304 1.00 0.32 N ATOM 447 CA ASP A 27 13.662 0.321 -5.564 1.00 0.41 C ATOM 448 C ASP A 27 13.518 -1.026 -4.881 1.00 0.35 C ATOM 449 O ASP A 27 14.401 -1.475 -4.154 1.00 0.57 O ATOM 450 CB ASP A 27 14.961 1.009 -5.113 1.00 0.60 C ATOM 451 CG ASP A 27 14.807 1.907 -3.903 1.00 0.85 C ATOM 452 OD1 ASP A 27 14.411 1.411 -2.835 1.00 1.72 O ATOM 453 OD2 ASP A 27 15.122 3.112 -4.016 1.00 1.36 O ATOM 0 H ASP A 27 11.818 0.690 -4.658 1.00 0.32 H new ATOM 0 HA ASP A 27 13.738 0.190 -6.643 1.00 0.41 H new ATOM 0 HB2 ASP A 27 15.704 0.244 -4.890 1.00 0.60 H new ATOM 0 HB3 ASP A 27 15.351 1.600 -5.942 1.00 0.60 H new ATOM 458 N ILE A 28 12.380 -1.655 -5.113 1.00 0.22 N ATOM 459 CA ILE A 28 12.118 -2.983 -4.583 1.00 0.18 C ATOM 460 C ILE A 28 12.516 -4.026 -5.610 1.00 0.22 C ATOM 461 O ILE A 28 12.145 -3.929 -6.779 1.00 0.28 O ATOM 462 CB ILE A 28 10.631 -3.188 -4.202 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.244 -2.362 -2.970 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.341 -4.658 -3.951 1.00 0.16 C ATOM 465 CD1 ILE A 28 10.104 -0.882 -3.235 1.00 0.19 C ATOM 0 H ILE A 28 11.618 -1.266 -5.668 1.00 0.22 H new ATOM 0 HA ILE A 28 12.710 -3.090 -3.674 1.00 0.18 H new ATOM 0 HB ILE A 28 10.030 -2.843 -5.043 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.301 -2.740 -2.575 1.00 0.14 H new ATOM 0 HG13 ILE A 28 10.996 -2.511 -2.196 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.291 -4.781 -3.685 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.556 -5.231 -4.853 1.00 0.16 H new ATOM 0 HG23 ILE A 28 10.967 -5.018 -3.135 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.829 -0.372 -2.312 1.00 0.19 H new ATOM 0 HD12 ILE A 28 11.052 -0.486 -3.600 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.330 -0.718 -3.985 1.00 0.19 H new ATOM 477 N ALA A 29 13.260 -5.024 -5.176 1.00 0.21 N ATOM 478 CA ALA A 29 13.748 -6.043 -6.082 1.00 0.25 C ATOM 479 C ALA A 29 12.830 -7.243 -6.076 1.00 0.25 C ATOM 480 O ALA A 29 12.271 -7.627 -7.104 1.00 0.30 O ATOM 481 CB ALA A 29 15.161 -6.459 -5.704 1.00 0.30 C ATOM 0 H ALA A 29 13.539 -5.151 -4.203 1.00 0.21 H new ATOM 0 HA ALA A 29 13.766 -5.625 -7.089 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.512 -7.225 -6.395 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.821 -5.593 -5.756 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.164 -6.857 -4.689 1.00 0.30 H new ATOM 487 N ILE A 30 12.656 -7.805 -4.899 1.00 0.23 N ATOM 488 CA ILE A 30 11.880 -9.023 -4.739 1.00 0.25 C ATOM 489 C ILE A 30 11.166 -9.001 -3.394 1.00 0.22 C ATOM 490 O ILE A 30 10.101 -9.582 -3.235 1.00 0.22 O ATOM 491 CB ILE A 30 12.791 -10.275 -4.879 1.00 0.29 C ATOM 492 CG1 ILE A 30 11.973 -11.582 -4.920 1.00 0.32 C ATOM 493 CG2 ILE A 30 13.835 -10.307 -3.764 1.00 0.30 C ATOM 494 CD1 ILE A 30 11.750 -12.236 -3.572 1.00 0.33 C ATOM 0 H ILE A 30 13.044 -7.437 -4.030 1.00 0.23 H new ATOM 0 HA ILE A 30 11.129 -9.078 -5.527 1.00 0.25 H new ATOM 0 HB ILE A 30 13.312 -10.199 -5.833 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.003 -11.373 -5.371 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.482 -12.292 -5.572 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.463 -11.190 -3.879 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.454 -9.412 -3.820 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.333 -10.342 -2.797 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.166 -13.147 -3.702 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.712 -12.483 -3.124 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.211 -11.549 -2.919 1.00 0.33 H new ATOM 506 N LYS A 31 11.767 -8.305 -2.434 1.00 0.21 N ATOM 507 CA LYS A 31 11.173 -8.108 -1.122 1.00 0.19 C ATOM 508 C LYS A 31 11.434 -6.678 -0.665 1.00 0.17 C ATOM 509 O LYS A 31 10.510 -5.940 -0.332 1.00 0.17 O ATOM 510 CB LYS A 31 11.756 -9.106 -0.107 1.00 0.22 C ATOM 511 CG LYS A 31 11.719 -10.552 -0.588 1.00 0.26 C ATOM 512 CD LYS A 31 11.912 -11.551 0.542 1.00 0.35 C ATOM 513 CE LYS A 31 10.694 -11.614 1.451 1.00 0.47 C ATOM 514 NZ LYS A 31 9.448 -11.913 0.701 1.00 1.46 N ATOM 0 H LYS A 31 12.679 -7.863 -2.547 1.00 0.21 H new ATOM 0 HA LYS A 31 10.099 -8.281 -1.186 1.00 0.19 H new ATOM 0 HB2 LYS A 31 12.788 -8.830 0.111 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.201 -9.028 0.828 1.00 0.22 H new ATOM 0 HG2 LYS A 31 10.764 -10.743 -1.078 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.497 -10.702 -1.337 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.106 -12.539 0.125 1.00 0.35 H new ATOM 0 HD3 LYS A 31 12.789 -11.274 1.127 1.00 0.35 H new ATOM 0 HE2 LYS A 31 10.850 -12.379 2.212 1.00 0.47 H new ATOM 0 HE3 LYS A 31 10.583 -10.663 1.973 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 8.861 -12.571 1.252 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 8.921 -11.032 0.539 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 9.689 -12.346 -0.214 1.00 1.46 H new ATOM 528 N ASP A 32 12.706 -6.295 -0.712 1.00 0.17 N ATOM 529 CA ASP A 32 13.167 -4.967 -0.301 1.00 0.16 C ATOM 530 C ASP A 32 12.440 -4.404 0.927 1.00 0.17 C ATOM 531 O ASP A 32 12.574 -4.962 2.009 1.00 0.25 O ATOM 532 CB ASP A 32 13.130 -4.016 -1.485 1.00 0.16 C ATOM 533 CG ASP A 32 14.467 -4.003 -2.181 1.00 0.20 C ATOM 534 OD1 ASP A 32 14.708 -4.915 -2.992 1.00 1.18 O ATOM 535 OD2 ASP A 32 15.283 -3.107 -1.901 1.00 1.05 O ATOM 0 H ASP A 32 13.457 -6.903 -1.040 1.00 0.17 H new ATOM 0 HA ASP A 32 14.200 -5.077 0.029 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.351 -4.322 -2.183 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.878 -3.011 -1.146 1.00 0.16 H new ATOM 540 N SER A 33 11.691 -3.304 0.776 1.00 0.13 N ATOM 541 CA SER A 33 11.011 -2.660 1.916 1.00 0.13 C ATOM 542 C SER A 33 9.973 -1.641 1.434 1.00 0.14 C ATOM 543 O SER A 33 10.236 -0.885 0.501 1.00 0.18 O ATOM 544 CB SER A 33 12.016 -1.916 2.809 1.00 0.17 C ATOM 545 OG SER A 33 13.042 -2.767 3.282 1.00 0.21 O ATOM 0 H SER A 33 11.539 -2.840 -0.119 1.00 0.13 H new ATOM 0 HA SER A 33 10.523 -3.455 2.480 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.459 -1.093 2.248 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.490 -1.477 3.657 1.00 0.17 H new ATOM 0 HG SER A 33 12.798 -3.700 3.111 1.00 0.21 H new ATOM 551 N ILE A 34 8.802 -1.624 2.072 1.00 0.13 N ATOM 552 CA ILE A 34 7.783 -0.609 1.802 1.00 0.15 C ATOM 553 C ILE A 34 7.145 -0.156 3.117 1.00 0.13 C ATOM 554 O ILE A 34 6.441 -0.924 3.765 1.00 0.14 O ATOM 555 CB ILE A 34 6.654 -1.107 0.861 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.204 -1.795 -0.392 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.773 0.060 0.454 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.520 -3.264 -0.195 1.00 0.19 C ATOM 0 H ILE A 34 8.535 -2.305 2.783 1.00 0.13 H new ATOM 0 HA ILE A 34 8.296 0.213 1.302 1.00 0.15 H new ATOM 0 HB ILE A 34 6.071 -1.844 1.413 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.478 -1.694 -1.199 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.109 -1.278 -0.711 1.00 0.19 H new ATOM 0 HG21 ILE A 34 4.982 -0.294 -0.207 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.330 0.509 1.343 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.374 0.805 -0.067 1.00 0.28 H new ATOM 0 HD11 ILE A 34 7.905 -3.681 -1.126 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.270 -3.373 0.589 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.613 -3.796 0.094 1.00 0.19 H new ATOM 570 N GLU A 35 7.399 1.084 3.509 1.00 0.14 N ATOM 571 CA GLU A 35 6.920 1.614 4.785 1.00 0.13 C ATOM 572 C GLU A 35 5.790 2.623 4.558 1.00 0.15 C ATOM 573 O GLU A 35 5.929 3.550 3.754 1.00 0.20 O ATOM 574 CB GLU A 35 8.101 2.260 5.514 1.00 0.16 C ATOM 575 CG GLU A 35 7.738 3.075 6.732 1.00 0.28 C ATOM 576 CD GLU A 35 8.886 3.961 7.163 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.135 4.977 6.471 1.00 1.31 O ATOM 578 OE2 GLU A 35 9.528 3.662 8.186 1.00 1.08 O ATOM 0 H GLU A 35 7.939 1.751 2.958 1.00 0.14 H new ATOM 0 HA GLU A 35 6.514 0.808 5.396 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.794 1.475 5.816 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.633 2.902 4.812 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.864 3.689 6.514 1.00 0.28 H new ATOM 0 HG3 GLU A 35 7.464 2.408 7.550 1.00 0.28 H new ATOM 585 N PHE A 36 4.680 2.453 5.279 1.00 0.16 N ATOM 586 CA PHE A 36 3.470 3.232 5.006 1.00 0.17 C ATOM 587 C PHE A 36 3.059 4.157 6.161 1.00 0.18 C ATOM 588 O PHE A 36 3.363 3.917 7.333 1.00 0.19 O ATOM 589 CB PHE A 36 2.293 2.318 4.612 1.00 0.20 C ATOM 590 CG PHE A 36 2.463 0.871 4.962 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.276 0.048 4.198 1.00 1.16 C ATOM 592 CD2 PHE A 36 1.787 0.326 6.035 1.00 1.25 C ATOM 593 CE1 PHE A 36 3.413 -1.288 4.507 1.00 1.13 C ATOM 594 CE2 PHE A 36 1.921 -1.008 6.347 1.00 1.33 C ATOM 595 CZ PHE A 36 2.733 -1.815 5.583 1.00 0.41 C ATOM 0 H PHE A 36 4.593 1.790 6.049 1.00 0.16 H new ATOM 0 HA PHE A 36 3.723 3.876 4.164 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.389 2.688 5.095 1.00 0.20 H new ATOM 0 HB3 PHE A 36 2.135 2.399 3.536 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.807 0.458 3.352 1.00 1.16 H new ATOM 0 HD2 PHE A 36 1.146 0.953 6.636 1.00 1.25 H new ATOM 0 HE1 PHE A 36 4.051 -1.920 3.907 1.00 1.13 H new ATOM 0 HE2 PHE A 36 1.389 -1.421 7.191 1.00 1.33 H new ATOM 0 HZ PHE A 36 2.837 -2.862 5.827 1.00 0.41 H new ATOM 605 N PHE A 37 2.363 5.227 5.780 1.00 0.21 N ATOM 606 CA PHE A 37 1.865 6.260 6.688 1.00 0.25 C ATOM 607 C PHE A 37 0.390 6.485 6.399 1.00 0.32 C ATOM 608 O PHE A 37 0.012 6.618 5.246 1.00 0.65 O ATOM 609 CB PHE A 37 2.651 7.563 6.441 1.00 0.36 C ATOM 610 CG PHE A 37 2.198 8.763 7.235 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.096 9.506 6.837 1.00 1.71 C ATOM 612 CD2 PHE A 37 2.890 9.165 8.363 1.00 1.41 C ATOM 613 CE1 PHE A 37 0.692 10.617 7.550 1.00 2.22 C ATOM 614 CE2 PHE A 37 2.490 10.275 9.085 1.00 1.87 C ATOM 615 CZ PHE A 37 1.389 11.002 8.677 1.00 2.02 C ATOM 0 H PHE A 37 2.123 5.404 4.805 1.00 0.21 H new ATOM 0 HA PHE A 37 1.993 5.953 7.726 1.00 0.25 H new ATOM 0 HB2 PHE A 37 3.702 7.379 6.664 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.588 7.808 5.381 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.546 9.211 5.956 1.00 1.71 H new ATOM 0 HD2 PHE A 37 3.755 8.604 8.685 1.00 1.41 H new ATOM 0 HE1 PHE A 37 -0.168 11.184 7.226 1.00 2.22 H new ATOM 0 HE2 PHE A 37 3.038 10.573 9.967 1.00 1.87 H new ATOM 0 HZ PHE A 37 1.074 11.869 9.238 1.00 2.02 H new ATOM 625 N VAL A 38 -0.443 6.517 7.417 1.00 0.20 N ATOM 626 CA VAL A 38 -1.856 6.759 7.185 1.00 0.18 C ATOM 627 C VAL A 38 -2.223 8.205 7.477 1.00 0.18 C ATOM 628 O VAL A 38 -1.849 8.771 8.504 1.00 0.23 O ATOM 629 CB VAL A 38 -2.766 5.784 7.966 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.392 5.723 9.439 1.00 0.27 C ATOM 631 CG2 VAL A 38 -4.232 6.167 7.800 1.00 0.23 C ATOM 0 H VAL A 38 -0.178 6.382 8.393 1.00 0.20 H new ATOM 0 HA VAL A 38 -2.032 6.569 6.126 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.616 4.789 7.547 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -3.054 5.027 9.954 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.361 5.384 9.539 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.492 6.714 9.881 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.856 5.468 8.357 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.390 7.177 8.179 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.500 6.130 6.744 1.00 0.23 H new ATOM 641 N ASP A 39 -2.947 8.790 6.540 1.00 0.17 N ATOM 642 CA ASP A 39 -3.326 10.191 6.599 1.00 0.21 C ATOM 643 C ASP A 39 -4.832 10.315 6.467 1.00 0.23 C ATOM 644 O ASP A 39 -5.382 10.217 5.366 1.00 0.25 O ATOM 645 CB ASP A 39 -2.623 10.981 5.490 1.00 0.25 C ATOM 646 CG ASP A 39 -3.082 12.423 5.412 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.895 13.167 6.398 1.00 1.13 O ATOM 648 OD2 ASP A 39 -3.636 12.820 4.363 1.00 1.16 O ATOM 0 H ASP A 39 -3.291 8.304 5.712 1.00 0.17 H new ATOM 0 HA ASP A 39 -3.018 10.605 7.559 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.547 10.956 5.660 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.806 10.494 4.532 1.00 0.25 H new ATOM 653 N GLY A 40 -5.493 10.487 7.601 1.00 0.26 N ATOM 654 CA GLY A 40 -6.940 10.508 7.626 1.00 0.31 C ATOM 655 C GLY A 40 -7.516 9.135 7.356 1.00 0.27 C ATOM 656 O GLY A 40 -7.820 8.387 8.285 1.00 0.32 O ATOM 0 H GLY A 40 -5.049 10.613 8.511 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.284 10.864 8.597 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -7.308 11.212 6.880 1.00 0.31 H new ATOM 660 N ASP A 41 -7.644 8.801 6.082 1.00 0.25 N ATOM 661 CA ASP A 41 -8.173 7.507 5.671 1.00 0.25 C ATOM 662 C ASP A 41 -7.180 6.819 4.746 1.00 0.22 C ATOM 663 O ASP A 41 -7.223 5.611 4.549 1.00 0.30 O ATOM 664 CB ASP A 41 -9.505 7.681 4.929 1.00 0.36 C ATOM 665 CG ASP A 41 -10.419 8.701 5.579 1.00 1.20 C ATOM 666 OD1 ASP A 41 -11.032 8.393 6.619 1.00 2.00 O ATOM 667 OD2 ASP A 41 -10.522 9.829 5.046 1.00 1.84 O ATOM 0 H ASP A 41 -7.387 9.413 5.307 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.336 6.902 6.563 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.305 7.984 3.901 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -10.017 6.720 4.884 1.00 0.36 H new ATOM 672 N LYS A 42 -6.258 7.606 4.220 1.00 0.21 N ATOM 673 CA LYS A 42 -5.404 7.181 3.125 1.00 0.24 C ATOM 674 C LYS A 42 -4.103 6.584 3.638 1.00 0.17 C ATOM 675 O LYS A 42 -3.684 6.868 4.754 1.00 0.17 O ATOM 676 CB LYS A 42 -5.119 8.395 2.241 1.00 0.36 C ATOM 677 CG LYS A 42 -3.912 8.244 1.337 1.00 0.31 C ATOM 678 CD LYS A 42 -3.492 9.590 0.772 1.00 0.31 C ATOM 679 CE LYS A 42 -3.189 10.584 1.884 1.00 0.73 C ATOM 680 NZ LYS A 42 -3.933 11.861 1.715 1.00 1.05 N ATOM 0 H LYS A 42 -6.080 8.558 4.540 1.00 0.21 H new ATOM 0 HA LYS A 42 -5.911 6.405 2.552 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.996 8.594 1.625 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -4.973 9.267 2.879 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -3.086 7.805 1.896 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -4.145 7.559 0.522 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.611 9.464 0.143 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -4.284 9.983 0.135 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -3.446 10.140 2.846 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -2.119 10.789 1.904 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -3.931 12.386 2.613 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -3.475 12.434 0.978 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -4.914 11.657 1.436 1.00 1.05 H new ATOM 694 N ILE A 43 -3.459 5.775 2.812 1.00 0.16 N ATOM 695 CA ILE A 43 -2.193 5.170 3.177 1.00 0.14 C ATOM 696 C ILE A 43 -1.095 5.635 2.212 1.00 0.15 C ATOM 697 O ILE A 43 -1.319 5.740 1.005 1.00 0.17 O ATOM 698 CB ILE A 43 -2.274 3.627 3.161 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.427 3.119 4.044 1.00 0.14 C ATOM 700 CG2 ILE A 43 -0.956 3.028 3.624 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.105 3.066 5.528 1.00 0.15 C ATOM 0 H ILE A 43 -3.795 5.523 1.883 1.00 0.16 H new ATOM 0 HA ILE A 43 -1.954 5.487 4.192 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.470 3.311 2.136 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.293 3.764 3.895 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.711 2.121 3.710 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.025 1.940 3.609 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.156 3.350 2.958 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.740 3.363 4.638 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.972 2.697 6.076 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.260 2.397 5.693 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.851 4.065 5.881 1.00 0.15 H new ATOM 713 N ILE A 44 0.082 5.912 2.754 1.00 0.14 N ATOM 714 CA ILE A 44 1.185 6.484 1.988 1.00 0.16 C ATOM 715 C ILE A 44 2.409 5.575 2.053 1.00 0.16 C ATOM 716 O ILE A 44 3.022 5.434 3.109 1.00 0.22 O ATOM 717 CB ILE A 44 1.558 7.875 2.542 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.311 8.762 2.621 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.626 8.524 1.670 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.499 10.004 3.461 1.00 0.27 C ATOM 0 H ILE A 44 0.301 5.747 3.736 1.00 0.14 H new ATOM 0 HA ILE A 44 0.863 6.580 0.951 1.00 0.16 H new ATOM 0 HB ILE A 44 1.963 7.757 3.547 1.00 0.20 H new ATOM 0 HG12 ILE A 44 0.022 9.057 1.612 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.513 8.178 3.031 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.879 9.505 2.073 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.517 7.896 1.658 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.247 8.636 0.654 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.426 10.581 3.469 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.758 9.718 4.481 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.301 10.610 3.040 1.00 0.27 H new ATOM 732 N LEU A 45 2.762 4.969 0.931 1.00 0.15 N ATOM 733 CA LEU A 45 3.851 3.994 0.897 1.00 0.17 C ATOM 734 C LEU A 45 5.126 4.589 0.310 1.00 0.20 C ATOM 735 O LEU A 45 5.079 5.331 -0.672 1.00 0.26 O ATOM 736 CB LEU A 45 3.449 2.761 0.074 1.00 0.21 C ATOM 737 CG LEU A 45 2.619 1.697 0.805 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.271 2.241 1.234 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.432 0.480 -0.082 1.00 0.32 C ATOM 0 H LEU A 45 2.313 5.132 0.030 1.00 0.15 H new ATOM 0 HA LEU A 45 4.047 3.702 1.929 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.884 3.099 -0.795 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.357 2.289 -0.301 1.00 0.21 H new ATOM 0 HG LEU A 45 3.164 1.408 1.704 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.711 1.460 1.748 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.417 3.086 1.907 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.715 2.568 0.356 1.00 0.18 H new ATOM 0 HD21 LEU A 45 1.842 -0.268 0.447 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.914 0.772 -0.996 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.406 0.061 -0.335 1.00 0.32 H new ATOM 751 N LYS A 46 6.262 4.267 0.929 1.00 0.19 N ATOM 752 CA LYS A 46 7.567 4.594 0.368 1.00 0.30 C ATOM 753 C LYS A 46 8.627 3.633 0.909 1.00 0.22 C ATOM 754 O LYS A 46 8.503 3.117 2.022 1.00 0.30 O ATOM 755 CB LYS A 46 7.933 6.072 0.622 1.00 0.52 C ATOM 756 CG LYS A 46 8.199 6.455 2.076 1.00 0.86 C ATOM 757 CD LYS A 46 9.635 6.152 2.480 1.00 1.04 C ATOM 758 CE LYS A 46 10.020 6.814 3.789 1.00 1.30 C ATOM 759 NZ LYS A 46 11.412 6.470 4.193 1.00 2.16 N ATOM 0 H LYS A 46 6.301 3.778 1.823 1.00 0.19 H new ATOM 0 HA LYS A 46 7.525 4.468 -0.714 1.00 0.30 H new ATOM 0 HB2 LYS A 46 8.820 6.312 0.036 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.123 6.696 0.245 1.00 0.52 H new ATOM 0 HG2 LYS A 46 7.997 7.517 2.216 1.00 0.86 H new ATOM 0 HG3 LYS A 46 7.514 5.912 2.727 1.00 0.86 H new ATOM 0 HD2 LYS A 46 9.764 5.073 2.570 1.00 1.04 H new ATOM 0 HD3 LYS A 46 10.310 6.489 1.693 1.00 1.04 H new ATOM 0 HE2 LYS A 46 9.926 7.896 3.691 1.00 1.30 H new ATOM 0 HE3 LYS A 46 9.327 6.504 4.571 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 11.419 6.164 5.187 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 11.768 5.700 3.591 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 12.022 7.305 4.084 1.00 2.16 H new ATOM 773 N LYS A 47 9.647 3.381 0.100 1.00 0.27 N ATOM 774 CA LYS A 47 10.718 2.444 0.447 1.00 0.28 C ATOM 775 C LYS A 47 11.516 2.974 1.644 1.00 0.25 C ATOM 776 O LYS A 47 11.671 4.182 1.802 1.00 0.32 O ATOM 777 CB LYS A 47 11.628 2.243 -0.776 1.00 0.37 C ATOM 778 CG LYS A 47 12.315 0.878 -0.875 1.00 0.41 C ATOM 779 CD LYS A 47 13.408 0.687 0.165 1.00 0.36 C ATOM 780 CE LYS A 47 14.160 -0.616 -0.058 1.00 0.52 C ATOM 781 NZ LYS A 47 14.945 -0.594 -1.320 1.00 0.39 N ATOM 0 H LYS A 47 9.759 3.817 -0.815 1.00 0.27 H new ATOM 0 HA LYS A 47 10.289 1.483 0.730 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.034 2.397 -1.677 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.396 3.016 -0.765 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.569 0.092 -0.758 1.00 0.41 H new ATOM 0 HG3 LYS A 47 12.744 0.765 -1.870 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.105 1.524 0.121 1.00 0.36 H new ATOM 0 HD3 LYS A 47 12.969 0.690 1.163 1.00 0.36 H new ATOM 0 HE2 LYS A 47 14.830 -0.797 0.783 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.452 -1.444 -0.086 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 14.714 -1.435 -1.887 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 14.710 0.263 -1.860 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.961 -0.595 -1.097 1.00 0.39 H new ATOM 795 N TYR A 48 12.028 2.067 2.467 1.00 0.22 N ATOM 796 CA TYR A 48 12.691 2.432 3.716 1.00 0.22 C ATOM 797 C TYR A 48 13.903 3.331 3.459 1.00 0.27 C ATOM 798 O TYR A 48 14.031 4.403 4.054 1.00 0.32 O ATOM 799 CB TYR A 48 13.119 1.159 4.443 1.00 0.23 C ATOM 800 CG TYR A 48 13.414 1.356 5.912 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.380 1.534 6.823 1.00 1.16 C ATOM 802 CD2 TYR A 48 14.716 1.346 6.390 1.00 1.15 C ATOM 803 CE1 TYR A 48 12.637 1.700 8.169 1.00 1.25 C ATOM 804 CE2 TYR A 48 14.981 1.512 7.737 1.00 1.17 C ATOM 805 CZ TYR A 48 13.937 1.688 8.620 1.00 0.58 C ATOM 806 OH TYR A 48 14.196 1.844 9.963 1.00 0.74 O ATOM 0 H TYR A 48 11.997 1.063 2.290 1.00 0.22 H new ATOM 0 HA TYR A 48 11.991 2.994 4.335 1.00 0.22 H new ATOM 0 HB2 TYR A 48 12.332 0.412 4.339 1.00 0.23 H new ATOM 0 HB3 TYR A 48 14.007 0.757 3.956 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.359 1.543 6.472 1.00 1.16 H new ATOM 0 HD2 TYR A 48 15.535 1.206 5.700 1.00 1.15 H new ATOM 0 HE1 TYR A 48 11.822 1.839 8.864 1.00 1.25 H new ATOM 0 HE2 TYR A 48 16.000 1.504 8.095 1.00 1.17 H new ATOM 0 HH TYR A 48 15.163 1.811 10.116 1.00 0.74 H new ATOM 947 N SER B 3 3.313 7.092 10.622 1.00 0.42 N ATOM 948 CA SER B 3 2.051 7.030 11.341 1.00 0.40 C ATOM 949 C SER B 3 1.781 5.617 11.833 1.00 0.37 C ATOM 950 O SER B 3 1.395 5.407 12.985 1.00 0.50 O ATOM 951 CB SER B 3 0.911 7.495 10.435 1.00 0.39 C ATOM 952 OG SER B 3 -0.334 7.452 11.108 1.00 1.00 O ATOM 0 HA SER B 3 2.114 7.690 12.206 1.00 0.40 H new ATOM 0 HB2 SER B 3 1.107 8.511 10.094 1.00 0.39 H new ATOM 0 HB3 SER B 3 0.869 6.863 9.548 1.00 0.39 H new ATOM 0 HG SER B 3 -0.923 8.148 10.750 1.00 1.00 H new ATOM 958 N ILE B 4 1.982 4.649 10.953 1.00 0.27 N ATOM 959 CA ILE B 4 1.781 3.258 11.305 1.00 0.24 C ATOM 960 C ILE B 4 3.083 2.695 11.854 1.00 0.26 C ATOM 961 O ILE B 4 3.094 1.959 12.841 1.00 0.32 O ATOM 962 CB ILE B 4 1.328 2.427 10.084 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.291 3.204 9.270 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.742 1.099 10.544 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.062 2.556 7.947 1.00 0.23 C ATOM 0 H ILE B 4 2.284 4.804 9.991 1.00 0.27 H new ATOM 0 HA ILE B 4 0.995 3.200 12.058 1.00 0.24 H new ATOM 0 HB ILE B 4 2.195 2.232 9.453 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.616 3.312 9.864 1.00 0.27 H new ATOM 0 HG13 ILE B 4 0.670 4.209 9.082 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.426 0.521 9.676 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.497 0.540 11.097 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.117 1.284 11.189 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.802 3.166 7.429 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.834 2.473 7.332 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.472 1.562 8.127 1.00 0.23 H new ATOM 977 N GLY B 5 4.181 3.082 11.211 1.00 0.27 N ATOM 978 CA GLY B 5 5.500 2.679 11.657 1.00 0.32 C ATOM 979 C GLY B 5 5.778 1.221 11.395 1.00 0.31 C ATOM 980 O GLY B 5 6.370 0.530 12.225 1.00 0.43 O ATOM 0 H GLY B 5 4.178 3.674 10.380 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.252 3.285 11.152 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.595 2.878 12.725 1.00 0.32 H new ATOM 984 N VAL B 6 5.335 0.752 10.242 1.00 0.20 N ATOM 985 CA VAL B 6 5.623 -0.600 9.811 1.00 0.16 C ATOM 986 C VAL B 6 6.118 -0.594 8.373 1.00 0.12 C ATOM 987 O VAL B 6 5.538 0.063 7.503 1.00 0.13 O ATOM 988 CB VAL B 6 4.390 -1.531 9.929 1.00 0.19 C ATOM 989 CG1 VAL B 6 4.051 -1.824 11.381 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.190 -0.925 9.235 1.00 0.22 C ATOM 0 H VAL B 6 4.772 1.293 9.586 1.00 0.20 H new ATOM 0 HA VAL B 6 6.397 -0.990 10.472 1.00 0.16 H new ATOM 0 HB VAL B 6 4.646 -2.471 9.440 1.00 0.19 H new ATOM 0 HG11 VAL B 6 3.181 -2.480 11.426 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.899 -2.312 11.861 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.829 -0.891 11.898 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.337 -1.596 9.331 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.950 0.034 9.694 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.417 -0.776 8.179 1.00 0.22 H new ATOM 1000 N VAL B 7 7.207 -1.300 8.135 1.00 0.12 N ATOM 1001 CA VAL B 7 7.719 -1.475 6.792 1.00 0.12 C ATOM 1002 C VAL B 7 7.474 -2.911 6.357 1.00 0.12 C ATOM 1003 O VAL B 7 7.541 -3.835 7.169 1.00 0.15 O ATOM 1004 CB VAL B 7 9.225 -1.122 6.699 1.00 0.13 C ATOM 1005 CG1 VAL B 7 10.082 -2.091 7.499 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.676 -1.068 5.250 1.00 0.15 C ATOM 0 H VAL B 7 7.756 -1.763 8.859 1.00 0.12 H new ATOM 0 HA VAL B 7 7.194 -0.791 6.125 1.00 0.12 H new ATOM 0 HB VAL B 7 9.358 -0.133 7.138 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.131 -1.809 7.408 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.787 -2.057 8.548 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.943 -3.102 7.115 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.736 -0.819 5.208 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.513 -2.039 4.782 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.103 -0.308 4.719 1.00 0.15 H new ATOM 1016 N ARG B 8 7.145 -3.097 5.095 1.00 0.12 N ATOM 1017 CA ARG B 8 6.805 -4.414 4.591 1.00 0.13 C ATOM 1018 C ARG B 8 7.833 -4.887 3.596 1.00 0.13 C ATOM 1019 O ARG B 8 8.522 -4.089 2.974 1.00 0.16 O ATOM 1020 CB ARG B 8 5.411 -4.425 3.953 1.00 0.15 C ATOM 1021 CG ARG B 8 4.346 -5.025 4.858 1.00 0.30 C ATOM 1022 CD ARG B 8 4.414 -4.412 6.247 1.00 0.18 C ATOM 1023 NE ARG B 8 3.489 -5.019 7.198 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.775 -5.179 8.493 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.967 -4.819 8.957 1.00 0.55 N ATOM 1026 NH2 ARG B 8 2.877 -5.696 9.318 1.00 1.09 N ATOM 0 H ARG B 8 7.106 -2.353 4.398 1.00 0.12 H new ATOM 0 HA ARG B 8 6.796 -5.097 5.440 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.128 -3.404 3.695 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.449 -4.990 3.022 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.359 -4.855 4.428 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.484 -6.104 4.924 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.430 -4.509 6.629 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.201 -3.345 6.175 1.00 0.18 H new ATOM 0 HE ARG B 8 2.581 -5.336 6.858 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.662 -4.421 8.325 1.00 0.55 H new ATOM 0 HH12 ARG B 8 5.187 -4.940 9.945 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.961 -5.974 8.965 1.00 1.09 H new ATOM 0 HH22 ARG B 8 3.101 -5.816 10.306 1.00 1.09 H new ATOM 1040 N LYS B 9 7.951 -6.184 3.480 1.00 0.13 N ATOM 1041 CA LYS B 9 8.833 -6.782 2.508 1.00 0.14 C ATOM 1042 C LYS B 9 8.004 -7.507 1.468 1.00 0.17 C ATOM 1043 O LYS B 9 7.208 -8.385 1.806 1.00 0.21 O ATOM 1044 CB LYS B 9 9.817 -7.737 3.190 1.00 0.19 C ATOM 1045 CG LYS B 9 11.158 -7.099 3.546 1.00 0.54 C ATOM 1046 CD LYS B 9 11.020 -5.819 4.373 1.00 0.26 C ATOM 1047 CE LYS B 9 10.944 -6.083 5.877 1.00 0.79 C ATOM 1048 NZ LYS B 9 9.973 -7.149 6.250 1.00 1.16 N ATOM 0 H LYS B 9 7.441 -6.855 4.054 1.00 0.13 H new ATOM 0 HA LYS B 9 9.418 -6.003 2.018 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.359 -8.126 4.099 1.00 0.19 H new ATOM 0 HB3 LYS B 9 9.995 -8.589 2.533 1.00 0.19 H new ATOM 0 HG2 LYS B 9 11.759 -7.819 4.102 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.700 -6.873 2.628 1.00 0.54 H new ATOM 0 HD2 LYS B 9 11.869 -5.167 4.167 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.124 -5.285 4.058 1.00 0.26 H new ATOM 0 HE2 LYS B 9 11.934 -6.363 6.238 1.00 0.79 H new ATOM 0 HE3 LYS B 9 10.669 -5.159 6.386 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 9.886 -7.193 7.285 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 9.045 -6.934 5.834 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 10.309 -8.066 5.892 1.00 1.16 H new ATOM 1062 N VAL B 10 8.169 -7.103 0.218 1.00 0.16 N ATOM 1063 CA VAL B 10 7.457 -7.706 -0.892 1.00 0.18 C ATOM 1064 C VAL B 10 7.659 -9.215 -0.897 1.00 0.20 C ATOM 1065 O VAL B 10 8.747 -9.704 -0.619 1.00 0.25 O ATOM 1066 CB VAL B 10 7.910 -7.083 -2.244 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.638 -8.017 -3.408 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.211 -5.755 -2.476 1.00 0.16 C ATOM 0 H VAL B 10 8.800 -6.349 -0.053 1.00 0.16 H new ATOM 0 HA VAL B 10 6.393 -7.503 -0.768 1.00 0.18 H new ATOM 0 HB VAL B 10 8.986 -6.919 -2.185 1.00 0.18 H new ATOM 0 HG11 VAL B 10 7.967 -7.548 -4.335 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.181 -8.950 -3.260 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.570 -8.225 -3.466 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.539 -5.332 -3.426 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.133 -5.911 -2.501 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.459 -5.067 -1.668 1.00 0.16 H new ATOM 1078 N ASP B 11 6.580 -9.935 -1.145 1.00 0.18 N ATOM 1079 CA ASP B 11 6.615 -11.386 -1.260 1.00 0.20 C ATOM 1080 C ASP B 11 7.636 -11.801 -2.313 1.00 0.23 C ATOM 1081 O ASP B 11 8.782 -12.107 -1.989 1.00 0.26 O ATOM 1082 CB ASP B 11 5.211 -11.905 -1.610 1.00 0.23 C ATOM 1083 CG ASP B 11 5.181 -13.362 -2.025 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.399 -14.238 -1.167 1.00 1.14 O ATOM 1085 OD2 ASP B 11 4.917 -13.626 -3.219 1.00 1.22 O ATOM 0 H ASP B 11 5.652 -9.532 -1.273 1.00 0.18 H new ATOM 0 HA ASP B 11 6.918 -11.824 -0.309 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.559 -11.770 -0.747 1.00 0.23 H new ATOM 0 HB3 ASP B 11 4.801 -11.299 -2.418 1.00 0.23 H new ATOM 1090 N GLU B 12 7.212 -11.787 -3.566 1.00 0.24 N ATOM 1091 CA GLU B 12 8.098 -12.014 -4.704 1.00 0.28 C ATOM 1092 C GLU B 12 7.537 -11.274 -5.907 1.00 0.27 C ATOM 1093 O GLU B 12 8.269 -10.796 -6.773 1.00 0.34 O ATOM 1094 CB GLU B 12 8.213 -13.512 -5.024 1.00 0.35 C ATOM 1095 CG GLU B 12 8.777 -14.344 -3.886 1.00 0.40 C ATOM 1096 CD GLU B 12 8.821 -15.824 -4.196 1.00 0.48 C ATOM 1097 OE1 GLU B 12 9.814 -16.282 -4.797 1.00 1.22 O ATOM 1098 OE2 GLU B 12 7.867 -16.543 -3.831 1.00 1.17 O ATOM 0 H GLU B 12 6.241 -11.618 -3.827 1.00 0.24 H new ATOM 0 HA GLU B 12 9.095 -11.646 -4.460 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.226 -13.894 -5.286 1.00 0.35 H new ATOM 0 HB3 GLU B 12 8.847 -13.638 -5.902 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.784 -13.997 -3.655 1.00 0.40 H new ATOM 0 HG3 GLU B 12 8.173 -14.184 -2.993 1.00 0.40 H new ATOM 1105 N LEU B 13 6.215 -11.194 -5.930 1.00 0.26 N ATOM 1106 CA LEU B 13 5.473 -10.519 -6.989 1.00 0.26 C ATOM 1107 C LEU B 13 5.315 -9.036 -6.680 1.00 0.25 C ATOM 1108 O LEU B 13 5.238 -8.199 -7.576 1.00 0.39 O ATOM 1109 CB LEU B 13 4.085 -11.143 -7.080 1.00 0.32 C ATOM 1110 CG LEU B 13 4.039 -12.668 -7.111 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.611 -13.140 -6.884 1.00 0.90 C ATOM 1112 CD2 LEU B 13 4.579 -13.196 -8.430 1.00 0.79 C ATOM 0 H LEU B 13 5.620 -11.599 -5.208 1.00 0.26 H new ATOM 0 HA LEU B 13 6.018 -10.629 -7.926 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.497 -10.799 -6.229 1.00 0.32 H new ATOM 0 HB3 LEU B 13 3.597 -10.766 -7.979 1.00 0.32 H new ATOM 0 HG LEU B 13 4.671 -13.058 -6.313 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.580 -14.229 -6.906 1.00 0.90 H new ATOM 0 HD12 LEU B 13 2.261 -12.787 -5.914 1.00 0.90 H new ATOM 0 HD13 LEU B 13 1.967 -12.742 -7.669 1.00 0.90 H new ATOM 0 HD21 LEU B 13 4.537 -14.285 -8.430 1.00 0.79 H new ATOM 0 HD22 LEU B 13 3.976 -12.809 -9.251 1.00 0.79 H new ATOM 0 HD23 LEU B 13 5.612 -12.873 -8.556 1.00 0.79 H new ATOM 1124 N GLY B 14 5.268 -8.731 -5.399 1.00 0.15 N ATOM 1125 CA GLY B 14 4.952 -7.391 -4.958 1.00 0.13 C ATOM 1126 C GLY B 14 3.904 -7.418 -3.874 1.00 0.11 C ATOM 1127 O GLY B 14 3.603 -6.407 -3.256 1.00 0.12 O ATOM 0 H GLY B 14 5.445 -9.395 -4.645 1.00 0.15 H new ATOM 0 HA2 GLY B 14 5.853 -6.903 -4.587 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.594 -6.800 -5.801 1.00 0.13 H new ATOM 1131 N ARG B 15 3.345 -8.600 -3.646 1.00 0.11 N ATOM 1132 CA ARG B 15 2.361 -8.794 -2.594 1.00 0.11 C ATOM 1133 C ARG B 15 2.980 -8.517 -1.224 1.00 0.09 C ATOM 1134 O ARG B 15 4.002 -9.099 -0.872 1.00 0.12 O ATOM 1135 CB ARG B 15 1.813 -10.226 -2.631 1.00 0.14 C ATOM 1136 CG ARG B 15 1.197 -10.617 -3.967 1.00 0.17 C ATOM 1137 CD ARG B 15 0.410 -11.914 -3.875 1.00 0.29 C ATOM 1138 NE ARG B 15 -0.849 -11.770 -3.140 1.00 1.30 N ATOM 1139 CZ ARG B 15 -1.302 -12.661 -2.253 1.00 1.93 C ATOM 1140 NH1 ARG B 15 -0.540 -13.690 -1.892 1.00 1.94 N ATOM 1141 NH2 ARG B 15 -2.516 -12.513 -1.726 1.00 2.91 N ATOM 0 H ARG B 15 3.560 -9.442 -4.180 1.00 0.11 H new ATOM 0 HA ARG B 15 1.542 -8.094 -2.762 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.621 -10.920 -2.398 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.062 -10.337 -1.849 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.540 -9.818 -4.311 1.00 0.17 H new ATOM 0 HG3 ARG B 15 1.985 -10.724 -4.712 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.197 -12.275 -4.881 1.00 0.29 H new ATOM 0 HD3 ARG B 15 1.024 -12.671 -3.387 1.00 0.29 H new ATOM 0 HE ARG B 15 -1.414 -10.939 -3.316 1.00 1.30 H new ATOM 0 HH11 ARG B 15 0.392 -13.800 -2.292 1.00 1.94 H new ATOM 0 HH12 ARG B 15 -0.887 -14.369 -1.215 1.00 1.94 H new ATOM 0 HH21 ARG B 15 -3.098 -11.721 -2.000 1.00 2.91 H new ATOM 0 HH22 ARG B 15 -2.864 -13.192 -1.049 1.00 2.91 H new ATOM 1155 N ILE B 16 2.372 -7.614 -0.469 1.00 0.09 N ATOM 1156 CA ILE B 16 2.831 -7.313 0.883 1.00 0.09 C ATOM 1157 C ILE B 16 1.639 -7.383 1.829 1.00 0.09 C ATOM 1158 O ILE B 16 0.502 -7.546 1.385 1.00 0.11 O ATOM 1159 CB ILE B 16 3.511 -5.916 0.993 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.497 -4.830 1.379 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.222 -5.552 -0.305 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.026 -3.415 1.257 1.00 0.14 C ATOM 0 H ILE B 16 1.559 -7.076 -0.768 1.00 0.09 H new ATOM 0 HA ILE B 16 3.587 -8.051 1.152 1.00 0.09 H new ATOM 0 HB ILE B 16 4.256 -5.974 1.786 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.614 -4.932 0.747 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.175 -4.998 2.407 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.688 -4.572 -0.202 1.00 0.16 H new ATOM 0 HG22 ILE B 16 4.987 -6.297 -0.522 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.499 -5.526 -1.121 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.248 -2.709 1.548 1.00 0.14 H new ATOM 0 HD12 ILE B 16 3.890 -3.292 1.910 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.321 -3.225 0.225 1.00 0.14 H new ATOM 1174 N VAL B 17 1.885 -7.242 3.115 1.00 0.09 N ATOM 1175 CA VAL B 17 0.818 -7.327 4.093 1.00 0.10 C ATOM 1176 C VAL B 17 0.442 -5.937 4.604 1.00 0.11 C ATOM 1177 O VAL B 17 1.174 -5.320 5.384 1.00 0.16 O ATOM 1178 CB VAL B 17 1.179 -8.270 5.271 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.537 -7.934 5.868 1.00 0.18 C ATOM 1180 CG2 VAL B 17 0.097 -8.236 6.340 1.00 0.19 C ATOM 0 H VAL B 17 2.810 -7.069 3.507 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.048 -7.759 3.591 1.00 0.10 H new ATOM 0 HB VAL B 17 1.240 -9.282 4.871 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.752 -8.617 6.690 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.306 -8.034 5.102 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.527 -6.910 6.241 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.371 -8.904 7.156 1.00 0.19 H new ATOM 0 HG22 VAL B 17 -0.006 -7.220 6.722 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -0.851 -8.559 5.909 1.00 0.19 H new ATOM 1190 N MET B 18 -0.685 -5.427 4.125 1.00 0.10 N ATOM 1191 CA MET B 18 -1.202 -4.155 4.609 1.00 0.11 C ATOM 1192 C MET B 18 -1.835 -4.373 5.975 1.00 0.10 C ATOM 1193 O MET B 18 -2.318 -5.467 6.272 1.00 0.15 O ATOM 1194 CB MET B 18 -2.231 -3.557 3.645 1.00 0.18 C ATOM 1195 CG MET B 18 -1.679 -3.197 2.271 1.00 0.29 C ATOM 1196 SD MET B 18 -1.209 -1.463 2.114 1.00 0.94 S ATOM 1197 CE MET B 18 0.221 -1.367 3.175 1.00 0.54 C ATOM 0 H MET B 18 -1.255 -5.872 3.406 1.00 0.10 H new ATOM 0 HA MET B 18 -0.375 -3.448 4.681 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.048 -4.268 3.519 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.656 -2.661 4.098 1.00 0.18 H new ATOM 0 HG2 MET B 18 -0.810 -3.821 2.063 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.428 -3.432 1.515 1.00 0.29 H new ATOM 0 HE1 MET B 18 0.977 -0.734 2.710 1.00 0.54 H new ATOM 0 HE2 MET B 18 -0.067 -0.941 4.136 1.00 0.54 H new ATOM 0 HE3 MET B 18 0.628 -2.366 3.328 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.847 -3.350 6.827 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.297 -3.499 8.192 1.00 0.13 C ATOM 1209 C PRO B 19 -3.809 -3.356 8.349 1.00 0.13 C ATOM 1210 O PRO B 19 -4.491 -2.702 7.543 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.558 -2.381 8.927 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.246 -1.346 7.894 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.441 -1.972 6.530 1.00 0.19 C ATOM 0 HA PRO B 19 -2.087 -4.496 8.580 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.174 -1.964 9.724 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.646 -2.756 9.392 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -1.898 -0.481 8.013 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.222 -0.991 8.007 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.203 -1.446 5.955 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.523 -1.944 5.943 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.334 -3.985 9.388 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.725 -3.807 9.772 1.00 0.16 C ATOM 1223 C ILE B 20 -6.030 -2.324 9.953 1.00 0.16 C ATOM 1224 O ILE B 20 -7.136 -1.876 9.694 1.00 0.17 O ATOM 1225 CB ILE B 20 -6.046 -4.578 11.072 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.437 -4.219 11.599 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.988 -4.306 12.126 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.558 -4.623 10.675 1.00 0.22 C ATOM 0 H ILE B 20 -3.813 -4.628 9.984 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.353 -4.208 8.976 1.00 0.16 H new ATOM 0 HB ILE B 20 -6.041 -5.643 10.842 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.584 -4.699 12.566 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.486 -3.143 11.766 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -5.230 -4.857 13.035 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -4.014 -4.627 11.755 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.959 -3.239 12.345 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.513 -4.336 11.115 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.436 -4.122 9.714 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.536 -5.703 10.527 1.00 0.22 H new ATOM 1240 N GLU B 21 -5.023 -1.565 10.355 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.155 -0.124 10.530 1.00 0.16 C ATOM 1242 C GLU B 21 -5.500 0.556 9.206 1.00 0.16 C ATOM 1243 O GLU B 21 -6.114 1.617 9.191 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.860 0.441 11.108 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.391 -0.317 12.339 1.00 0.23 C ATOM 1246 CD GLU B 21 -4.409 -0.298 13.460 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -4.457 0.699 14.207 1.00 1.07 O ATOM 1248 OE2 GLU B 21 -5.164 -1.283 13.597 1.00 1.06 O ATOM 0 H GLU B 21 -4.094 -1.927 10.569 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.971 0.074 11.225 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -3.081 0.407 10.346 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -4.008 1.490 11.366 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -3.178 -1.350 12.065 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.457 0.118 12.695 1.00 0.23 H new ATOM 1255 N LEU B 22 -5.121 -0.073 8.096 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.499 0.410 6.777 1.00 0.15 C ATOM 1257 C LEU B 22 -6.940 0.022 6.514 1.00 0.15 C ATOM 1258 O LEU B 22 -7.734 0.804 5.988 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.572 -0.176 5.698 1.00 0.15 C ATOM 1260 CG LEU B 22 -5.225 -0.480 4.340 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -4.268 -0.154 3.206 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.635 -1.946 4.258 1.00 0.18 C ATOM 0 H LEU B 22 -4.552 -0.919 8.087 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.400 1.495 6.741 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.750 0.522 5.535 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.136 -1.098 6.083 1.00 0.15 H new ATOM 0 HG LEU B 22 -6.115 0.142 4.246 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.746 -0.375 2.252 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -4.005 0.903 3.244 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.365 -0.756 3.308 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -6.095 -2.141 3.289 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.754 -2.577 4.375 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.349 -2.169 5.051 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.269 -1.197 6.908 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.636 -1.697 6.780 1.00 0.15 C ATOM 1276 C ARG B 23 -9.595 -0.875 7.643 1.00 0.19 C ATOM 1277 O ARG B 23 -10.770 -0.711 7.309 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.710 -3.178 7.174 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.811 -4.084 6.346 1.00 0.16 C ATOM 1280 CD ARG B 23 -8.060 -5.559 6.646 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.221 -6.075 7.732 1.00 0.64 N ATOM 1282 CZ ARG B 23 -7.572 -7.099 8.517 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -8.800 -7.595 8.455 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -6.707 -7.600 9.396 1.00 1.30 N ATOM 0 H ARG B 23 -6.613 -1.861 7.319 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.935 -1.599 5.736 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.440 -3.278 8.225 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.741 -3.518 7.076 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -7.982 -3.895 5.286 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.767 -3.843 6.548 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -9.109 -5.698 6.908 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.876 -6.143 5.744 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.319 -5.628 7.898 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -9.479 -7.195 7.807 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -9.065 -8.376 9.055 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -5.771 -7.203 9.473 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -6.980 -8.381 9.992 1.00 1.30 H new ATOM 1298 N ARG B 24 -9.064 -0.352 8.736 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.827 0.445 9.687 1.00 0.20 C ATOM 1300 C ARG B 24 -9.886 1.889 9.226 1.00 0.22 C ATOM 1301 O ARG B 24 -10.877 2.586 9.434 1.00 0.26 O ATOM 1302 CB ARG B 24 -9.177 0.366 11.070 1.00 0.22 C ATOM 1303 CG ARG B 24 -9.227 -1.021 11.677 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.321 -1.134 12.891 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.883 -0.498 14.080 1.00 0.41 N ATOM 1306 CZ ARG B 24 -8.344 -0.613 15.292 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -7.164 -1.202 15.439 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.955 -0.093 16.347 1.00 0.87 N ATOM 0 H ARG B 24 -8.083 -0.469 8.992 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.842 0.051 9.746 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -8.137 0.685 10.994 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.677 1.066 11.739 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -10.252 -1.256 11.964 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.929 -1.757 10.930 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.134 -2.187 13.102 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.357 -0.679 12.663 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.730 0.061 13.977 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.671 -1.566 14.624 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.750 -1.291 16.367 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.842 0.398 16.232 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -8.538 -0.184 17.274 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.802 2.315 8.594 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.692 3.656 8.047 1.00 0.22 C ATOM 1324 C ALA B 25 -9.780 3.891 7.026 1.00 0.26 C ATOM 1325 O ALA B 25 -10.523 4.871 7.080 1.00 0.28 O ATOM 1326 CB ALA B 25 -7.338 3.815 7.374 1.00 0.23 C ATOM 0 H ALA B 25 -7.974 1.738 8.447 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.795 4.379 8.856 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.252 4.821 6.962 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.547 3.654 8.106 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -7.243 3.085 6.570 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.871 2.959 6.103 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.783 3.074 4.994 1.00 0.37 C ATOM 1334 C LEU B 26 -12.120 2.416 5.297 1.00 0.41 C ATOM 1335 O LEU B 26 -13.016 3.037 5.871 1.00 0.57 O ATOM 1336 CB LEU B 26 -10.153 2.440 3.759 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.873 3.113 3.270 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -8.145 2.228 2.270 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -9.196 4.462 2.642 1.00 0.52 C ATOM 0 H LEU B 26 -9.315 2.104 6.103 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.973 4.132 4.813 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.935 1.394 3.977 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.884 2.452 2.950 1.00 0.35 H new ATOM 0 HG LEU B 26 -8.219 3.269 4.128 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -7.236 2.728 1.936 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.885 1.281 2.744 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.792 2.039 1.413 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -8.275 4.933 2.297 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -9.869 4.318 1.797 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -9.675 5.102 3.382 1.00 0.52 H new ATOM 1351 N ASP B 27 -12.218 1.144 4.943 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.476 0.410 4.966 1.00 0.42 C ATOM 1353 C ASP B 27 -13.238 -0.983 4.393 1.00 0.41 C ATOM 1354 O ASP B 27 -13.924 -1.426 3.480 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.534 1.163 4.137 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.864 0.437 4.042 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -16.296 -0.174 5.040 1.00 1.34 O ATOM 1358 OD2 ASP B 27 -16.478 0.466 2.950 1.00 1.54 O ATOM 0 H ASP B 27 -11.423 0.588 4.630 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.842 0.323 5.989 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -14.697 2.146 4.579 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -14.146 1.326 3.131 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.221 -1.658 4.907 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.857 -2.977 4.403 1.00 0.18 C ATOM 1365 C ILE B 28 -12.212 -4.014 5.441 1.00 0.23 C ATOM 1366 O ILE B 28 -11.907 -3.849 6.622 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.351 -3.113 4.046 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.958 -2.207 2.872 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -10.022 -4.560 3.698 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -10.194 -0.748 3.119 1.00 0.17 C ATOM 0 H ILE B 28 -11.635 -1.318 5.669 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.415 -3.127 3.478 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.781 -2.802 4.922 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.903 -2.360 2.646 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.520 -2.511 1.989 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -8.964 -4.643 3.450 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.245 -5.199 4.552 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.621 -4.874 2.843 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.890 -0.177 2.242 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.253 -0.579 3.314 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.610 -0.426 3.981 1.00 0.17 H new ATOM 1382 N ALA B 29 -12.856 -5.073 5.006 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.348 -6.071 5.926 1.00 0.28 C ATOM 1384 C ALA B 29 -12.530 -7.351 5.863 1.00 0.30 C ATOM 1385 O ALA B 29 -12.059 -7.857 6.882 1.00 0.41 O ATOM 1386 CB ALA B 29 -14.812 -6.327 5.638 1.00 0.29 C ATOM 0 H ALA B 29 -13.051 -5.265 4.023 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.245 -5.696 6.944 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.192 -7.080 6.328 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.375 -5.402 5.764 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -14.924 -6.684 4.614 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.354 -7.864 4.664 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.585 -9.082 4.463 1.00 0.27 C ATOM 1394 C ILE B 30 -10.865 -9.018 3.124 1.00 0.24 C ATOM 1395 O ILE B 30 -9.797 -9.593 2.956 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.500 -10.334 4.553 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.689 -11.646 4.610 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.494 -10.354 3.398 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.335 -12.237 3.260 1.00 0.34 C ATOM 0 H ILE B 30 -12.733 -7.458 3.809 1.00 0.26 H new ATOM 0 HA ILE B 30 -10.840 -9.167 5.254 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.055 -10.265 5.489 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -10.768 -11.463 5.163 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.259 -12.384 5.175 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.127 -11.238 3.478 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.115 -9.459 3.437 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -12.953 -10.379 2.452 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -10.766 -13.156 3.403 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.249 -12.458 2.709 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -10.735 -11.523 2.696 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.460 -8.304 2.178 1.00 0.21 N ATOM 1412 CA LYS B 31 -10.852 -8.068 0.880 1.00 0.19 C ATOM 1413 C LYS B 31 -11.120 -6.630 0.447 1.00 0.16 C ATOM 1414 O LYS B 31 -10.197 -5.880 0.136 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.396 -9.051 -0.170 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.386 -10.503 0.293 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.532 -11.484 -0.857 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.242 -11.616 -1.652 1.00 0.47 C ATOM 1419 NZ LYS B 31 -9.099 -12.028 -0.799 1.00 1.38 N ATOM 0 H LYS B 31 -12.378 -7.873 2.291 1.00 0.21 H new ATOM 0 HA LYS B 31 -9.777 -8.228 0.963 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.416 -8.767 -0.427 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -10.802 -8.964 -1.080 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.455 -10.705 0.822 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.197 -10.659 1.004 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -11.821 -12.460 -0.468 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.334 -11.154 -1.517 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.381 -12.347 -2.449 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -10.012 -10.664 -2.130 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -8.493 -12.689 -1.326 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -8.545 -11.189 -0.532 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -9.457 -12.495 0.059 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.393 -6.249 0.503 1.00 0.16 N ATOM 1434 CA ASP B 32 -12.870 -4.936 0.063 1.00 0.15 C ATOM 1435 C ASP B 32 -12.117 -4.379 -1.151 1.00 0.15 C ATOM 1436 O ASP B 32 -12.191 -4.950 -2.236 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.883 -3.951 1.231 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.276 -3.832 1.809 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -15.141 -3.197 1.169 1.00 1.17 O ATOM 1440 OD2 ASP B 32 -14.526 -4.408 2.884 1.00 1.05 O ATOM 0 H ASP B 32 -13.135 -6.851 0.860 1.00 0.16 H new ATOM 0 HA ASP B 32 -13.894 -5.077 -0.283 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.190 -4.285 2.003 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.538 -2.974 0.894 1.00 0.15 H new ATOM 1445 N SER B 33 -11.402 -3.265 -0.982 1.00 0.14 N ATOM 1446 CA SER B 33 -10.751 -2.595 -2.115 1.00 0.14 C ATOM 1447 C SER B 33 -9.681 -1.609 -1.640 1.00 0.13 C ATOM 1448 O SER B 33 -9.899 -0.872 -0.683 1.00 0.15 O ATOM 1449 CB SER B 33 -11.784 -1.816 -2.939 1.00 0.18 C ATOM 1450 OG SER B 33 -12.850 -2.645 -3.372 1.00 0.24 O ATOM 0 H SER B 33 -11.258 -2.809 -0.081 1.00 0.14 H new ATOM 0 HA SER B 33 -10.285 -3.371 -2.722 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.182 -0.996 -2.341 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.296 -1.371 -3.806 1.00 0.18 H new ATOM 0 HG SER B 33 -12.567 -3.583 -3.345 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.528 -1.603 -2.307 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.490 -0.604 -2.055 1.00 0.13 C ATOM 1458 C ILE B 34 -6.831 -0.206 -3.374 1.00 0.13 C ATOM 1459 O ILE B 34 -6.051 -0.968 -3.934 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.378 -1.100 -1.091 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -6.947 -1.670 0.212 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.425 0.040 -0.775 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.358 -3.122 0.114 1.00 0.18 C ATOM 0 H ILE B 34 -8.288 -2.282 -3.029 1.00 0.13 H new ATOM 0 HA ILE B 34 -7.989 0.242 -1.582 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.846 -1.906 -1.597 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.201 -1.565 1.000 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.811 -1.077 0.511 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.647 -0.313 -0.098 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -4.968 0.399 -1.697 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -5.975 0.854 -0.302 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.751 -3.455 1.075 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -8.127 -3.232 -0.650 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.492 -3.728 -0.153 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.153 0.976 -3.873 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.641 1.430 -5.164 1.00 0.14 C ATOM 1477 C GLU B 35 -5.511 2.435 -4.962 1.00 0.15 C ATOM 1478 O GLU B 35 -5.632 3.352 -4.141 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.776 2.054 -5.979 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.374 2.454 -7.384 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.543 2.964 -8.201 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -9.006 4.094 -7.942 1.00 1.33 O ATOM 1483 OE2 GLU B 35 -8.994 2.246 -9.113 1.00 1.12 O ATOM 0 H GLU B 35 -7.768 1.643 -3.406 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.243 0.575 -5.711 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.602 1.345 -6.036 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -8.147 2.934 -5.453 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.607 3.227 -7.332 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.929 1.596 -7.889 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.412 2.278 -5.704 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.237 3.120 -5.451 1.00 0.17 C ATOM 1492 C PHE B 36 -2.854 4.031 -6.620 1.00 0.22 C ATOM 1493 O PHE B 36 -3.205 3.805 -7.780 1.00 0.28 O ATOM 1494 CB PHE B 36 -2.007 2.306 -5.017 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.157 0.814 -5.062 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.869 0.147 -4.081 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.553 0.078 -6.065 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -2.979 -1.224 -4.102 1.00 1.21 C ATOM 1499 CE2 PHE B 36 -1.662 -1.297 -6.092 1.00 1.27 C ATOM 1500 CZ PHE B 36 -2.375 -1.947 -5.109 1.00 0.43 C ATOM 0 H PHE B 36 -4.309 1.601 -6.460 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.552 3.760 -4.627 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.167 2.586 -5.653 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.746 2.595 -3.999 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.344 0.709 -3.290 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -0.990 0.585 -6.835 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.538 -1.734 -3.331 1.00 1.21 H new ATOM 0 HE2 PHE B 36 -1.190 -1.862 -6.882 1.00 1.27 H new ATOM 0 HZ PHE B 36 -2.461 -3.023 -5.127 1.00 0.43 H new ATOM 1510 N PHE B 37 -2.116 5.072 -6.252 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.591 6.097 -7.152 1.00 0.30 C ATOM 1512 C PHE B 37 -0.097 6.172 -6.921 1.00 0.25 C ATOM 1513 O PHE B 37 0.369 5.827 -5.846 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.264 7.440 -6.808 1.00 0.48 C ATOM 1515 CG PHE B 37 -1.805 8.636 -7.602 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -2.429 8.977 -8.788 1.00 1.24 C ATOM 1517 CD2 PHE B 37 -0.772 9.439 -7.142 1.00 1.67 C ATOM 1518 CE1 PHE B 37 -2.030 10.089 -9.505 1.00 1.64 C ATOM 1519 CE2 PHE B 37 -0.372 10.554 -7.852 1.00 2.10 C ATOM 1520 CZ PHE B 37 -1.001 10.877 -9.038 1.00 1.80 C ATOM 0 H PHE B 37 -1.855 5.233 -5.279 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.793 5.865 -8.198 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.340 7.330 -6.946 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.097 7.646 -5.751 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -3.239 8.366 -9.159 1.00 1.24 H new ATOM 0 HD2 PHE B 37 -0.274 9.189 -6.217 1.00 1.67 H new ATOM 0 HE1 PHE B 37 -2.525 10.340 -10.431 1.00 1.64 H new ATOM 0 HE2 PHE B 37 0.432 11.172 -7.480 1.00 2.10 H new ATOM 0 HZ PHE B 37 -0.687 11.745 -9.598 1.00 1.80 H new ATOM 1530 N VAL B 38 0.659 6.573 -7.911 1.00 0.24 N ATOM 1531 CA VAL B 38 2.087 6.729 -7.717 1.00 0.19 C ATOM 1532 C VAL B 38 2.487 8.181 -7.933 1.00 0.20 C ATOM 1533 O VAL B 38 1.998 8.844 -8.850 1.00 0.24 O ATOM 1534 CB VAL B 38 2.907 5.801 -8.638 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.722 6.151 -10.107 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.378 5.835 -8.252 1.00 0.25 C ATOM 0 H VAL B 38 0.322 6.796 -8.847 1.00 0.24 H new ATOM 0 HA VAL B 38 2.312 6.440 -6.690 1.00 0.19 H new ATOM 0 HB VAL B 38 2.534 4.786 -8.501 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.317 5.474 -10.720 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.670 6.054 -10.375 1.00 0.30 H new ATOM 0 HG13 VAL B 38 3.047 7.177 -10.280 1.00 0.30 H new ATOM 0 HG21 VAL B 38 4.942 5.175 -8.911 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.756 6.853 -8.347 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.491 5.501 -7.221 1.00 0.25 H new ATOM 1546 N ASP B 39 3.354 8.675 -7.070 1.00 0.20 N ATOM 1547 CA ASP B 39 3.777 10.064 -7.122 1.00 0.26 C ATOM 1548 C ASP B 39 5.285 10.155 -6.992 1.00 0.29 C ATOM 1549 O ASP B 39 5.827 10.113 -5.882 1.00 0.29 O ATOM 1550 CB ASP B 39 3.109 10.886 -6.019 1.00 0.31 C ATOM 1551 CG ASP B 39 3.555 12.333 -6.038 1.00 0.42 C ATOM 1552 OD1 ASP B 39 3.116 13.078 -6.935 1.00 1.17 O ATOM 1553 OD2 ASP B 39 4.353 12.730 -5.165 1.00 1.18 O ATOM 0 H ASP B 39 3.782 8.132 -6.320 1.00 0.20 H new ATOM 0 HA ASP B 39 3.472 10.474 -8.085 1.00 0.26 H new ATOM 0 HB2 ASP B 39 2.026 10.839 -6.138 1.00 0.31 H new ATOM 0 HB3 ASP B 39 3.343 10.448 -5.049 1.00 0.31 H new ATOM 1558 N GLY B 40 5.955 10.229 -8.135 1.00 0.35 N ATOM 1559 CA GLY B 40 7.399 10.321 -8.160 1.00 0.39 C ATOM 1560 C GLY B 40 8.049 9.005 -7.797 1.00 0.34 C ATOM 1561 O GLY B 40 8.580 8.300 -8.656 1.00 0.42 O ATOM 0 H GLY B 40 5.516 10.227 -9.055 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.727 10.627 -9.153 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.727 11.093 -7.464 1.00 0.39 H new ATOM 1565 N ASP B 41 7.986 8.676 -6.521 1.00 0.28 N ATOM 1566 CA ASP B 41 8.518 7.425 -6.009 1.00 0.28 C ATOM 1567 C ASP B 41 7.447 6.714 -5.201 1.00 0.23 C ATOM 1568 O ASP B 41 7.395 5.489 -5.144 1.00 0.29 O ATOM 1569 CB ASP B 41 9.701 7.668 -5.068 1.00 0.37 C ATOM 1570 CG ASP B 41 10.695 8.695 -5.565 1.00 1.17 C ATOM 1571 OD1 ASP B 41 10.479 9.901 -5.311 1.00 1.91 O ATOM 1572 OD2 ASP B 41 11.718 8.304 -6.163 1.00 1.84 O ATOM 0 H ASP B 41 7.563 9.270 -5.807 1.00 0.28 H new ATOM 0 HA ASP B 41 8.840 6.831 -6.864 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.319 7.990 -4.099 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.222 6.724 -4.908 1.00 0.37 H new ATOM 1577 N LYS B 42 6.581 7.511 -4.591 1.00 0.20 N ATOM 1578 CA LYS B 42 5.730 7.039 -3.520 1.00 0.21 C ATOM 1579 C LYS B 42 4.416 6.497 -4.056 1.00 0.16 C ATOM 1580 O LYS B 42 4.054 6.739 -5.207 1.00 0.14 O ATOM 1581 CB LYS B 42 5.474 8.177 -2.527 1.00 0.27 C ATOM 1582 CG LYS B 42 4.062 8.731 -2.588 1.00 0.33 C ATOM 1583 CD LYS B 42 3.892 9.974 -1.729 1.00 0.36 C ATOM 1584 CE LYS B 42 4.353 11.234 -2.456 1.00 0.63 C ATOM 1585 NZ LYS B 42 5.829 11.306 -2.627 1.00 0.78 N ATOM 0 H LYS B 42 6.453 8.495 -4.826 1.00 0.20 H new ATOM 0 HA LYS B 42 6.240 6.222 -3.010 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.671 7.818 -1.517 1.00 0.27 H new ATOM 0 HB3 LYS B 42 6.181 8.984 -2.722 1.00 0.27 H new ATOM 0 HG2 LYS B 42 3.812 8.970 -3.622 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.359 7.966 -2.259 1.00 0.33 H new ATOM 0 HD2 LYS B 42 2.845 10.080 -1.447 1.00 0.36 H new ATOM 0 HD3 LYS B 42 4.461 9.858 -0.806 1.00 0.36 H new ATOM 0 HE2 LYS B 42 3.878 11.274 -3.436 1.00 0.63 H new ATOM 0 HE3 LYS B 42 4.015 12.110 -1.902 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 6.135 12.299 -2.585 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 6.293 10.768 -1.868 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 6.092 10.901 -3.548 1.00 0.78 H new ATOM 1599 N ILE B 43 3.699 5.792 -3.202 1.00 0.17 N ATOM 1600 CA ILE B 43 2.437 5.192 -3.577 1.00 0.16 C ATOM 1601 C ILE B 43 1.328 5.727 -2.668 1.00 0.18 C ATOM 1602 O ILE B 43 1.548 5.950 -1.475 1.00 0.21 O ATOM 1603 CB ILE B 43 2.499 3.652 -3.469 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.672 3.083 -4.277 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.194 3.029 -3.940 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.507 3.219 -5.779 1.00 0.22 C ATOM 0 H ILE B 43 3.974 5.621 -2.235 1.00 0.17 H new ATOM 0 HA ILE B 43 2.226 5.453 -4.614 1.00 0.16 H new ATOM 0 HB ILE B 43 2.654 3.402 -2.419 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.588 3.590 -3.975 1.00 0.18 H new ATOM 0 HG13 ILE B 43 3.794 2.029 -4.029 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.258 1.944 -3.856 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.373 3.393 -3.322 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.015 3.303 -4.980 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.376 2.794 -6.281 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.610 2.688 -6.096 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.416 4.273 -6.041 1.00 0.22 H new ATOM 1618 N ILE B 44 0.149 5.934 -3.236 1.00 0.16 N ATOM 1619 CA ILE B 44 -0.962 6.556 -2.528 1.00 0.19 C ATOM 1620 C ILE B 44 -2.192 5.652 -2.554 1.00 0.20 C ATOM 1621 O ILE B 44 -2.816 5.475 -3.602 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.316 7.914 -3.171 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.063 8.795 -3.268 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.410 8.614 -2.380 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.320 10.178 -3.833 1.00 0.25 C ATOM 0 H ILE B 44 -0.065 5.676 -4.199 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.656 6.713 -1.494 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.692 7.736 -4.178 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.375 8.896 -2.275 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.675 8.291 -3.892 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.644 9.569 -2.850 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.303 7.989 -2.363 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -2.068 8.786 -1.360 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.616 10.736 -3.868 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.728 10.090 -4.840 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.033 10.704 -3.198 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.539 5.091 -1.404 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.616 4.106 -1.318 1.00 0.19 C ATOM 1639 C LEU B 45 -4.908 4.707 -0.783 1.00 0.20 C ATOM 1640 O LEU B 45 -4.900 5.448 0.202 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.208 2.944 -0.413 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.311 1.886 -1.049 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -0.955 2.458 -1.415 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.149 0.714 -0.106 1.00 0.24 C ATOM 0 H LEU B 45 -2.090 5.300 -0.512 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.794 3.752 -2.334 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.695 3.351 0.459 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.113 2.456 -0.051 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.787 1.545 -1.969 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.341 1.678 -1.866 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.084 3.274 -2.126 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.464 2.833 -0.517 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.508 -0.037 -0.566 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.697 1.056 0.825 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.126 0.278 0.104 1.00 0.24 H new ATOM 1656 N LYS B 46 -6.013 4.378 -1.442 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.339 4.737 -0.959 1.00 0.24 C ATOM 1658 C LYS B 46 -8.349 3.676 -1.393 1.00 0.20 C ATOM 1659 O LYS B 46 -8.178 3.041 -2.436 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.728 6.136 -1.478 1.00 0.38 C ATOM 1661 CG LYS B 46 -7.653 6.287 -2.995 1.00 0.99 C ATOM 1662 CD LYS B 46 -8.949 5.868 -3.668 1.00 1.11 C ATOM 1663 CE LYS B 46 -8.756 5.584 -5.145 1.00 1.14 C ATOM 1664 NZ LYS B 46 -10.028 5.183 -5.805 1.00 1.85 N ATOM 0 H LYS B 46 -6.015 3.859 -2.320 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.336 4.776 0.130 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -8.743 6.362 -1.152 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -7.073 6.876 -1.018 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -7.431 7.324 -3.247 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -6.831 5.683 -3.380 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -9.342 4.978 -3.176 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -9.693 6.655 -3.544 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -8.357 6.471 -5.636 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -8.018 4.792 -5.269 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -9.821 4.540 -6.596 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -10.639 4.699 -5.116 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -10.514 6.029 -6.165 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.382 3.463 -0.585 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.417 2.481 -0.913 1.00 0.22 C ATOM 1680 C LYS B 47 -11.161 2.928 -2.168 1.00 0.25 C ATOM 1681 O LYS B 47 -11.039 4.076 -2.585 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.392 2.307 0.257 1.00 0.26 C ATOM 1683 CG LYS B 47 -11.978 0.905 0.377 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.491 0.903 0.297 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.030 -0.497 0.536 1.00 0.51 C ATOM 1686 NZ LYS B 47 -15.509 -0.537 0.680 1.00 0.43 N ATOM 0 H LYS B 47 -9.527 3.953 0.298 1.00 0.22 H new ATOM 0 HA LYS B 47 -9.944 1.517 -1.100 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -10.876 2.554 1.185 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -12.208 3.021 0.145 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.574 0.276 -0.416 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -11.666 0.464 1.324 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -13.902 1.589 1.037 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.811 1.261 -0.682 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -13.734 -1.140 -0.293 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.572 -0.907 1.436 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.801 -1.480 1.007 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -15.810 0.178 1.373 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.953 -0.337 -0.239 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.947 2.046 -2.760 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.537 2.344 -4.054 1.00 0.23 C ATOM 1702 C TYR B 48 -13.727 3.279 -3.884 1.00 0.25 C ATOM 1703 O TYR B 48 -13.835 4.301 -4.564 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.976 1.054 -4.746 1.00 0.27 C ATOM 1705 CG TYR B 48 -13.305 1.238 -6.212 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -14.591 1.568 -6.624 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -12.323 1.089 -7.182 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -14.887 1.743 -7.963 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -12.610 1.264 -8.522 1.00 1.03 C ATOM 1710 CZ TYR B 48 -13.894 1.590 -8.907 1.00 0.59 C ATOM 1711 OH TYR B 48 -14.182 1.769 -10.241 1.00 0.74 O ATOM 0 H TYR B 48 -12.189 1.133 -2.374 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.788 2.836 -4.675 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -12.184 0.312 -4.650 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.851 0.655 -4.233 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -15.371 1.690 -5.887 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -11.317 0.832 -6.884 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -15.891 1.998 -8.268 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -11.834 1.146 -9.264 1.00 1.03 H new ATOM 0 HH TYR B 48 -13.371 1.625 -10.773 1.00 0.74 H new