USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 701 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -166:sc= 0.694 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= 1.75 (180deg=0.996) USER MOD Single : A 48 THR OG1 : rot 127:sc= 1.21 USER MOD Single : A 53 SER OG : rot -130:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -167:sc= -0.273 (180deg=-0.832) USER MOD Single : A 66 GLN : amide:sc= 1.44 K(o=1.4,f=-6.8!) USER MOD Single : A 70 SER OG : rot 165:sc= 1.17 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00935 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.668 X(o=-0.67,f=-0.39) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -10.612 -11.747 6.636 1.00 51.45 N ATOM 42 CA LEU A 4 -10.444 -10.644 5.691 1.00 42.31 C ATOM 43 C LEU A 4 -9.964 -11.198 4.339 1.00 23.23 C ATOM 44 O LEU A 4 -9.712 -12.395 4.188 1.00 23.43 O ATOM 45 CB LEU A 4 -9.451 -9.627 6.287 1.00 13.52 C ATOM 46 CG LEU A 4 -9.990 -8.967 7.581 1.00 63.33 C ATOM 47 CD1 LEU A 4 -8.916 -8.909 8.676 1.00 1.34 C ATOM 48 CD2 LEU A 4 -10.588 -7.585 7.311 1.00 53.55 C ATOM 0 HA LEU A 4 -11.391 -10.132 5.518 1.00 42.31 H new ATOM 0 HB2 LEU A 4 -8.507 -10.128 6.503 1.00 13.52 H new ATOM 0 HB3 LEU A 4 -9.239 -8.854 5.549 1.00 13.52 H new ATOM 0 HG LEU A 4 -10.798 -9.601 7.948 1.00 63.33 H new ATOM 0 HD11 LEU A 4 -9.331 -8.440 9.568 1.00 1.34 H new ATOM 0 HD12 LEU A 4 -8.587 -9.920 8.917 1.00 1.34 H new ATOM 0 HD13 LEU A 4 -8.066 -8.326 8.321 1.00 1.34 H new ATOM 0 HD21 LEU A 4 -10.954 -7.158 8.245 1.00 53.55 H new ATOM 0 HD22 LEU A 4 -9.823 -6.933 6.889 1.00 53.55 H new ATOM 0 HD23 LEU A 4 -11.414 -7.677 6.606 1.00 53.55 H new ATOM 59 N SER A 5 -9.821 -10.351 3.321 1.00 23.24 N ATOM 60 CA SER A 5 -9.113 -10.687 2.083 1.00 12.12 C ATOM 61 C SER A 5 -8.413 -9.432 1.562 1.00 45.41 C ATOM 62 O SER A 5 -8.659 -8.352 2.105 1.00 2.40 O ATOM 63 CB SER A 5 -10.084 -11.233 1.029 1.00 51.52 C ATOM 64 OG SER A 5 -11.130 -12.005 1.596 1.00 72.02 O ATOM 0 H SER A 5 -10.196 -9.403 3.331 1.00 23.24 H new ATOM 0 HA SER A 5 -8.376 -11.464 2.288 1.00 12.12 H new ATOM 0 HB2 SER A 5 -10.513 -10.401 0.471 1.00 51.52 H new ATOM 0 HB3 SER A 5 -9.532 -11.845 0.315 1.00 51.52 H new ATOM 0 HG SER A 5 -11.721 -12.328 0.884 1.00 72.02 H new ATOM 69 N THR A 6 -7.617 -9.542 0.493 1.00 33.31 N ATOM 70 CA THR A 6 -6.919 -8.395 -0.063 1.00 50.55 C ATOM 71 C THR A 6 -7.926 -7.286 -0.410 1.00 13.44 C ATOM 72 O THR A 6 -7.731 -6.148 0.027 1.00 72.44 O ATOM 73 CB THR A 6 -5.961 -8.827 -1.187 1.00 12.41 C ATOM 74 OG1 THR A 6 -5.016 -9.748 -0.683 1.00 70.41 O ATOM 75 CG2 THR A 6 -5.206 -7.613 -1.747 1.00 5.24 C ATOM 0 H THR A 6 -7.445 -10.418 0.000 1.00 33.31 H new ATOM 0 HA THR A 6 -6.257 -7.945 0.677 1.00 50.55 H new ATOM 0 HB THR A 6 -6.551 -9.287 -1.980 1.00 12.41 H new ATOM 0 HG1 THR A 6 -4.281 -9.846 -1.323 1.00 70.41 H new ATOM 0 HG21 THR A 6 -4.533 -7.937 -2.541 1.00 5.24 H new ATOM 0 HG22 THR A 6 -5.920 -6.894 -2.148 1.00 5.24 H new ATOM 0 HG23 THR A 6 -4.628 -7.145 -0.950 1.00 5.24 H new ATOM 83 N ASP A 7 -9.034 -7.630 -1.083 1.00 2.32 N ATOM 84 CA ASP A 7 -10.070 -6.690 -1.526 1.00 51.44 C ATOM 85 C ASP A 7 -10.680 -5.957 -0.331 1.00 4.14 C ATOM 86 O ASP A 7 -10.953 -4.761 -0.386 1.00 33.21 O ATOM 87 CB ASP A 7 -11.160 -7.448 -2.296 1.00 34.03 C ATOM 88 CG ASP A 7 -12.448 -6.633 -2.500 1.00 64.22 C ATOM 89 OD1 ASP A 7 -12.571 -5.916 -3.518 1.00 31.34 O ATOM 90 OD2 ASP A 7 -13.392 -6.813 -1.695 1.00 25.34 O ATOM 0 H ASP A 7 -9.238 -8.596 -1.340 1.00 2.32 H new ATOM 0 HA ASP A 7 -9.614 -5.950 -2.184 1.00 51.44 H new ATOM 0 HB2 ASP A 7 -10.768 -7.742 -3.270 1.00 34.03 H new ATOM 0 HB3 ASP A 7 -11.401 -8.365 -1.759 1.00 34.03 H new ATOM 94 N ILE A 8 -10.849 -6.675 0.778 1.00 43.43 N ATOM 95 CA ILE A 8 -11.529 -6.194 1.969 1.00 65.14 C ATOM 96 C ILE A 8 -10.757 -5.038 2.595 1.00 13.24 C ATOM 97 O ILE A 8 -11.368 -4.041 2.987 1.00 10.54 O ATOM 98 CB ILE A 8 -11.736 -7.338 2.977 1.00 53.23 C ATOM 99 CG1 ILE A 8 -12.434 -8.553 2.346 1.00 5.50 C ATOM 100 CG2 ILE A 8 -12.516 -6.818 4.193 1.00 71.24 C ATOM 101 CD1 ILE A 8 -13.783 -8.281 1.685 1.00 4.50 C ATOM 0 H ILE A 8 -10.506 -7.631 0.871 1.00 43.43 H new ATOM 0 HA ILE A 8 -12.513 -5.824 1.681 1.00 65.14 H new ATOM 0 HB ILE A 8 -10.755 -7.684 3.302 1.00 53.23 H new ATOM 0 HG12 ILE A 8 -11.766 -8.984 1.600 1.00 5.50 H new ATOM 0 HG13 ILE A 8 -12.576 -9.308 3.120 1.00 5.50 H new ATOM 0 HG21 ILE A 8 -12.662 -7.630 4.906 1.00 71.24 H new ATOM 0 HG22 ILE A 8 -11.955 -6.014 4.669 1.00 71.24 H new ATOM 0 HG23 ILE A 8 -13.486 -6.441 3.869 1.00 71.24 H new ATOM 0 HD11 ILE A 8 -14.181 -9.209 1.275 1.00 4.50 H new ATOM 0 HD12 ILE A 8 -14.478 -7.884 2.425 1.00 4.50 H new ATOM 0 HD13 ILE A 8 -13.655 -7.555 0.882 1.00 4.50 H new ATOM 112 N TRP A 9 -9.434 -5.167 2.718 1.00 2.12 N ATOM 113 CA TRP A 9 -8.634 -4.113 3.315 1.00 50.24 C ATOM 114 C TRP A 9 -8.636 -2.882 2.425 1.00 43.14 C ATOM 115 O TRP A 9 -8.842 -1.781 2.938 1.00 52.44 O ATOM 116 CB TRP A 9 -7.203 -4.577 3.556 1.00 63.11 C ATOM 117 CG TRP A 9 -7.042 -5.731 4.493 1.00 23.41 C ATOM 118 CD1 TRP A 9 -7.557 -5.837 5.735 1.00 5.11 C ATOM 119 CD2 TRP A 9 -6.350 -6.989 4.254 1.00 51.13 C ATOM 120 NE1 TRP A 9 -7.143 -7.021 6.303 1.00 65.31 N ATOM 121 CE2 TRP A 9 -6.447 -7.807 5.411 1.00 53.41 C ATOM 122 CE3 TRP A 9 -5.695 -7.532 3.141 1.00 11.31 C ATOM 123 CZ2 TRP A 9 -5.921 -9.107 5.452 1.00 25.03 C ATOM 124 CZ3 TRP A 9 -5.181 -8.844 3.148 1.00 41.11 C ATOM 125 CH2 TRP A 9 -5.300 -9.636 4.306 1.00 42.42 C ATOM 0 H TRP A 9 -8.905 -5.984 2.414 1.00 2.12 H new ATOM 0 HA TRP A 9 -9.078 -3.860 4.278 1.00 50.24 H new ATOM 0 HB2 TRP A 9 -6.763 -4.848 2.597 1.00 63.11 H new ATOM 0 HB3 TRP A 9 -6.629 -3.736 3.944 1.00 63.11 H new ATOM 0 HD1 TRP A 9 -8.195 -5.107 6.210 1.00 5.11 H new ATOM 0 HE1 TRP A 9 -7.330 -7.285 7.270 1.00 65.31 H new ATOM 0 HE3 TRP A 9 -5.581 -6.928 2.253 1.00 11.31 H new ATOM 0 HZ2 TRP A 9 -5.992 -9.696 6.355 1.00 25.03 H new ATOM 0 HZ3 TRP A 9 -4.697 -9.241 2.268 1.00 41.11 H new ATOM 0 HH2 TRP A 9 -4.916 -10.645 4.314 1.00 42.42 H new ATOM 135 N VAL A 10 -8.462 -3.066 1.111 1.00 11.54 N ATOM 136 CA VAL A 10 -8.566 -1.972 0.147 1.00 54.33 C ATOM 137 C VAL A 10 -9.893 -1.246 0.359 1.00 61.43 C ATOM 138 O VAL A 10 -9.927 -0.021 0.473 1.00 33.02 O ATOM 139 CB VAL A 10 -8.430 -2.500 -1.295 1.00 31.32 C ATOM 140 CG1 VAL A 10 -8.544 -1.350 -2.308 1.00 45.43 C ATOM 141 CG2 VAL A 10 -7.075 -3.170 -1.504 1.00 73.23 C ATOM 0 H VAL A 10 -8.247 -3.971 0.692 1.00 11.54 H new ATOM 0 HA VAL A 10 -7.751 -1.265 0.304 1.00 54.33 H new ATOM 0 HB VAL A 10 -9.233 -3.221 -1.449 1.00 31.32 H new ATOM 0 HG11 VAL A 10 -8.445 -1.745 -3.319 1.00 45.43 H new ATOM 0 HG12 VAL A 10 -9.515 -0.866 -2.201 1.00 45.43 H new ATOM 0 HG13 VAL A 10 -7.753 -0.623 -2.124 1.00 45.43 H new ATOM 0 HG21 VAL A 10 -7.003 -3.534 -2.529 1.00 73.23 H new ATOM 0 HG22 VAL A 10 -6.280 -2.448 -1.319 1.00 73.23 H new ATOM 0 HG23 VAL A 10 -6.973 -4.007 -0.814 1.00 73.23 H new ATOM 151 N ALA A 11 -10.979 -2.010 0.474 1.00 23.41 N ATOM 152 CA ALA A 11 -12.320 -1.483 0.582 1.00 30.12 C ATOM 153 C ALA A 11 -12.606 -0.750 1.900 1.00 33.32 C ATOM 154 O ALA A 11 -13.679 -0.156 2.038 1.00 25.02 O ATOM 155 CB ALA A 11 -13.302 -2.650 0.423 1.00 61.15 C ATOM 0 H ALA A 11 -10.940 -3.029 0.494 1.00 23.41 H new ATOM 0 HA ALA A 11 -12.437 -0.735 -0.203 1.00 30.12 H new ATOM 0 HB1 ALA A 11 -14.324 -2.279 0.501 1.00 61.15 H new ATOM 0 HB2 ALA A 11 -13.158 -3.116 -0.552 1.00 61.15 H new ATOM 0 HB3 ALA A 11 -13.123 -3.386 1.207 1.00 61.15 H new ATOM 161 N ALA A 12 -11.721 -0.814 2.897 1.00 64.21 N ATOM 162 CA ALA A 12 -11.744 0.058 4.065 1.00 63.02 C ATOM 163 C ALA A 12 -10.837 1.249 3.797 1.00 1.54 C ATOM 164 O ALA A 12 -11.294 2.386 3.827 1.00 70.21 O ATOM 165 CB ALA A 12 -11.277 -0.700 5.313 1.00 61.31 C ATOM 0 H ALA A 12 -10.955 -1.487 2.912 1.00 64.21 H new ATOM 0 HA ALA A 12 -12.762 0.402 4.246 1.00 63.02 H new ATOM 0 HB1 ALA A 12 -11.301 -0.032 6.174 1.00 61.31 H new ATOM 0 HB2 ALA A 12 -11.938 -1.548 5.492 1.00 61.31 H new ATOM 0 HB3 ALA A 12 -10.259 -1.059 5.161 1.00 61.31 H new ATOM 171 N LEU A 13 -9.559 0.968 3.544 1.00 14.33 N ATOM 172 CA LEU A 13 -8.465 1.905 3.330 1.00 3.24 C ATOM 173 C LEU A 13 -8.886 3.029 2.388 1.00 30.00 C ATOM 174 O LEU A 13 -8.762 4.192 2.767 1.00 12.24 O ATOM 175 CB LEU A 13 -7.253 1.117 2.787 1.00 21.31 C ATOM 176 CG LEU A 13 -6.190 1.992 2.093 1.00 14.42 C ATOM 177 CD1 LEU A 13 -5.500 2.922 3.089 1.00 45.22 C ATOM 178 CD2 LEU A 13 -5.152 1.096 1.422 1.00 30.14 C ATOM 0 H LEU A 13 -9.240 0.001 3.479 1.00 14.33 H new ATOM 0 HA LEU A 13 -8.188 2.382 4.270 1.00 3.24 H new ATOM 0 HB2 LEU A 13 -6.784 0.580 3.612 1.00 21.31 H new ATOM 0 HB3 LEU A 13 -7.608 0.367 2.080 1.00 21.31 H new ATOM 0 HG LEU A 13 -6.689 2.608 1.345 1.00 14.42 H new ATOM 0 HD11 LEU A 13 -4.756 3.525 2.568 1.00 45.22 H new ATOM 0 HD12 LEU A 13 -6.241 3.576 3.549 1.00 45.22 H new ATOM 0 HD13 LEU A 13 -5.010 2.329 3.861 1.00 45.22 H new ATOM 0 HD21 LEU A 13 -4.400 1.714 0.931 1.00 30.14 H new ATOM 0 HD22 LEU A 13 -4.672 0.469 2.174 1.00 30.14 H new ATOM 0 HD23 LEU A 13 -5.642 0.464 0.681 1.00 30.14 H new ATOM 189 N ILE A 14 -9.374 2.699 1.196 1.00 31.12 N ATOM 190 CA ILE A 14 -9.735 3.673 0.172 1.00 24.10 C ATOM 191 C ILE A 14 -10.775 4.631 0.729 1.00 65.15 C ATOM 192 O ILE A 14 -10.538 5.835 0.758 1.00 11.44 O ATOM 193 CB ILE A 14 -10.195 2.932 -1.100 1.00 21.01 C ATOM 194 CG1 ILE A 14 -8.977 2.312 -1.815 1.00 10.54 C ATOM 195 CG2 ILE A 14 -10.980 3.819 -2.088 1.00 74.44 C ATOM 196 CD1 ILE A 14 -8.083 3.342 -2.511 1.00 14.53 C ATOM 0 H ILE A 14 -9.532 1.733 0.910 1.00 31.12 H new ATOM 0 HA ILE A 14 -8.875 4.279 -0.113 1.00 24.10 H new ATOM 0 HB ILE A 14 -10.883 2.155 -0.768 1.00 21.01 H new ATOM 0 HG12 ILE A 14 -8.382 1.760 -1.088 1.00 10.54 H new ATOM 0 HG13 ILE A 14 -9.328 1.591 -2.553 1.00 10.54 H new ATOM 0 HG21 ILE A 14 -11.269 3.228 -2.957 1.00 74.44 H new ATOM 0 HG22 ILE A 14 -11.874 4.206 -1.598 1.00 74.44 H new ATOM 0 HG23 ILE A 14 -10.352 4.651 -2.408 1.00 74.44 H new ATOM 0 HD11 ILE A 14 -7.248 2.833 -2.992 1.00 14.53 H new ATOM 0 HD12 ILE A 14 -8.662 3.878 -3.263 1.00 14.53 H new ATOM 0 HD13 ILE A 14 -7.702 4.049 -1.775 1.00 14.53 H new ATOM 207 N ARG A 15 -11.885 4.092 1.245 1.00 25.44 N ATOM 208 CA ARG A 15 -12.931 4.926 1.825 1.00 13.31 C ATOM 209 C ARG A 15 -12.354 5.785 2.935 1.00 74.42 C ATOM 210 O ARG A 15 -12.648 6.966 3.002 1.00 41.22 O ATOM 211 CB ARG A 15 -14.094 4.103 2.389 1.00 41.44 C ATOM 212 CG ARG A 15 -14.933 3.410 1.314 1.00 64.02 C ATOM 213 CD ARG A 15 -16.259 2.994 1.953 1.00 5.14 C ATOM 214 NE ARG A 15 -17.118 2.279 1.007 1.00 70.21 N ATOM 215 CZ ARG A 15 -18.389 1.929 1.203 1.00 13.51 C ATOM 216 NH1 ARG A 15 -19.076 2.378 2.253 1.00 21.14 N ATOM 217 NH2 ARG A 15 -18.953 1.110 0.331 1.00 21.44 N ATOM 0 H ARG A 15 -12.077 3.091 1.271 1.00 25.44 H new ATOM 0 HA ARG A 15 -13.320 5.549 1.020 1.00 13.31 H new ATOM 0 HB2 ARG A 15 -13.698 3.350 3.070 1.00 41.44 H new ATOM 0 HB3 ARG A 15 -14.739 4.756 2.976 1.00 41.44 H new ATOM 0 HG2 ARG A 15 -15.108 4.082 0.474 1.00 64.02 H new ATOM 0 HG3 ARG A 15 -14.408 2.539 0.922 1.00 64.02 H new ATOM 0 HD2 ARG A 15 -16.063 2.359 2.817 1.00 5.14 H new ATOM 0 HD3 ARG A 15 -16.779 3.879 2.319 1.00 5.14 H new ATOM 0 HE ARG A 15 -16.703 2.024 0.111 1.00 70.21 H new ATOM 0 HH11 ARG A 15 -18.630 3.002 2.925 1.00 21.14 H new ATOM 0 HH12 ARG A 15 -20.048 2.098 2.384 1.00 21.14 H new ATOM 0 HH21 ARG A 15 -18.417 0.764 -0.465 1.00 21.44 H new ATOM 0 HH22 ARG A 15 -19.924 0.824 0.454 1.00 21.44 H new ATOM 228 N ARG A 16 -11.564 5.208 3.836 1.00 50.11 N ATOM 229 CA ARG A 16 -11.026 5.902 5.000 1.00 62.02 C ATOM 230 C ARG A 16 -10.163 7.083 4.577 1.00 23.23 C ATOM 231 O ARG A 16 -10.298 8.147 5.181 1.00 71.22 O ATOM 232 CB ARG A 16 -10.252 4.901 5.868 1.00 31.33 C ATOM 233 CG ARG A 16 -11.238 3.997 6.619 1.00 10.30 C ATOM 234 CD ARG A 16 -10.573 2.734 7.169 1.00 52.24 C ATOM 235 NE ARG A 16 -11.538 1.988 7.998 1.00 25.24 N ATOM 236 CZ ARG A 16 -11.818 2.207 9.290 1.00 70.45 C ATOM 237 NH1 ARG A 16 -11.180 3.145 9.980 1.00 61.22 N ATOM 238 NH2 ARG A 16 -12.746 1.470 9.891 1.00 4.10 N ATOM 0 H ARG A 16 -11.276 4.231 3.776 1.00 50.11 H new ATOM 0 HA ARG A 16 -11.843 6.312 5.594 1.00 62.02 H new ATOM 0 HB2 ARG A 16 -9.593 4.297 5.244 1.00 31.33 H new ATOM 0 HB3 ARG A 16 -9.619 5.434 6.578 1.00 31.33 H new ATOM 0 HG2 ARG A 16 -11.684 4.556 7.441 1.00 10.30 H new ATOM 0 HG3 ARG A 16 -12.049 3.714 5.948 1.00 10.30 H new ATOM 0 HD2 ARG A 16 -10.223 2.108 6.348 1.00 52.24 H new ATOM 0 HD3 ARG A 16 -9.698 3.000 7.762 1.00 52.24 H new ATOM 0 HE ARG A 16 -12.043 1.229 7.542 1.00 25.24 H new ATOM 0 HH11 ARG A 16 -10.464 3.713 9.527 1.00 61.22 H new ATOM 0 HH12 ARG A 16 -11.406 3.298 10.963 1.00 61.22 H new ATOM 0 HH21 ARG A 16 -13.238 0.745 9.369 1.00 4.10 H new ATOM 0 HH22 ARG A 16 -12.966 1.629 10.874 1.00 4.10 H new ATOM 249 N ALA A 17 -9.310 6.895 3.568 1.00 2.43 N ATOM 250 CA ALA A 17 -8.472 7.941 3.022 1.00 14.23 C ATOM 251 C ALA A 17 -9.342 9.016 2.374 1.00 11.31 C ATOM 252 O ALA A 17 -9.226 10.198 2.698 1.00 31.31 O ATOM 253 CB ALA A 17 -7.520 7.302 2.012 1.00 11.30 C ATOM 0 H ALA A 17 -9.187 5.994 3.106 1.00 2.43 H new ATOM 0 HA ALA A 17 -7.890 8.425 3.806 1.00 14.23 H new ATOM 0 HB1 ALA A 17 -6.875 8.069 1.584 1.00 11.30 H new ATOM 0 HB2 ALA A 17 -6.908 6.552 2.513 1.00 11.30 H new ATOM 0 HB3 ALA A 17 -8.097 6.828 1.218 1.00 11.30 H new ATOM 259 N GLU A 18 -10.226 8.602 1.468 1.00 1.41 N ATOM 260 CA GLU A 18 -11.060 9.501 0.693 1.00 31.10 C ATOM 261 C GLU A 18 -11.975 10.341 1.595 1.00 52.13 C ATOM 262 O GLU A 18 -12.064 11.550 1.383 1.00 2.30 O ATOM 263 CB GLU A 18 -11.868 8.712 -0.337 1.00 53.21 C ATOM 264 CG GLU A 18 -11.078 8.328 -1.601 1.00 64.25 C ATOM 265 CD GLU A 18 -11.979 7.636 -2.630 1.00 5.34 C ATOM 266 OE1 GLU A 18 -12.657 6.634 -2.308 1.00 50.25 O ATOM 267 OE2 GLU A 18 -12.061 8.130 -3.778 1.00 74.42 O ATOM 0 H GLU A 18 -10.381 7.617 1.253 1.00 1.41 H new ATOM 0 HA GLU A 18 -10.410 10.197 0.163 1.00 31.10 H new ATOM 0 HB2 GLU A 18 -12.244 7.803 0.132 1.00 53.21 H new ATOM 0 HB3 GLU A 18 -12.736 9.302 -0.630 1.00 53.21 H new ATOM 0 HG2 GLU A 18 -10.637 9.222 -2.043 1.00 64.25 H new ATOM 0 HG3 GLU A 18 -10.255 7.666 -1.331 1.00 64.25 H new ATOM 272 N LEU A 19 -12.583 9.733 2.623 1.00 14.23 N ATOM 273 CA LEU A 19 -13.362 10.379 3.681 1.00 72.02 C ATOM 274 C LEU A 19 -12.525 11.461 4.346 1.00 3.24 C ATOM 275 O LEU A 19 -12.988 12.587 4.514 1.00 43.54 O ATOM 276 CB LEU A 19 -13.755 9.343 4.755 1.00 52.53 C ATOM 277 CG LEU A 19 -15.164 8.733 4.673 1.00 51.15 C ATOM 278 CD1 LEU A 19 -15.692 8.400 3.273 1.00 30.30 C ATOM 279 CD2 LEU A 19 -15.196 7.447 5.513 1.00 1.11 C ATOM 0 H LEU A 19 -12.540 8.721 2.742 1.00 14.23 H new ATOM 0 HA LEU A 19 -14.258 10.813 3.237 1.00 72.02 H new ATOM 0 HB2 LEU A 19 -13.033 8.527 4.715 1.00 52.53 H new ATOM 0 HB3 LEU A 19 -13.649 9.815 5.732 1.00 52.53 H new ATOM 0 HG LEU A 19 -15.822 9.518 5.047 1.00 51.15 H new ATOM 0 HD11 LEU A 19 -16.693 7.977 3.353 1.00 30.30 H new ATOM 0 HD12 LEU A 19 -15.729 9.309 2.672 1.00 30.30 H new ATOM 0 HD13 LEU A 19 -15.030 7.677 2.797 1.00 30.30 H new ATOM 0 HD21 LEU A 19 -16.191 7.004 5.463 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -14.464 6.740 5.123 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -14.956 7.683 6.550 1.00 1.11 H new ATOM 290 N GLY A 20 -11.300 11.109 4.737 1.00 61.42 N ATOM 291 CA GLY A 20 -10.306 12.022 5.288 1.00 71.43 C ATOM 292 C GLY A 20 -10.005 13.208 4.368 1.00 32.22 C ATOM 293 O GLY A 20 -9.554 14.246 4.847 1.00 3.42 O ATOM 0 H GLY A 20 -10.964 10.148 4.676 1.00 61.42 H new ATOM 0 HA2 GLY A 20 -10.658 12.396 6.249 1.00 71.43 H new ATOM 0 HA3 GLY A 20 -9.383 11.474 5.478 1.00 71.43 H new ATOM 297 N GLY A 21 -10.292 13.093 3.071 1.00 65.04 N ATOM 298 CA GLY A 21 -10.028 14.107 2.066 1.00 63.02 C ATOM 299 C GLY A 21 -8.747 13.827 1.287 1.00 21.41 C ATOM 300 O GLY A 21 -8.371 14.644 0.445 1.00 42.14 O ATOM 0 H GLY A 21 -10.731 12.258 2.684 1.00 65.04 H new ATOM 0 HA2 GLY A 21 -10.868 14.157 1.374 1.00 63.02 H new ATOM 0 HA3 GLY A 21 -9.953 15.082 2.547 1.00 63.02 H new ATOM 304 N ALA A 22 -8.083 12.693 1.542 1.00 73.13 N ATOM 305 CA ALA A 22 -6.893 12.296 0.808 1.00 64.25 C ATOM 306 C ALA A 22 -7.335 11.858 -0.583 1.00 30.32 C ATOM 307 O ALA A 22 -8.413 11.270 -0.729 1.00 74.21 O ATOM 308 CB ALA A 22 -6.176 11.161 1.549 1.00 74.02 C ATOM 0 H ALA A 22 -8.362 12.030 2.265 1.00 73.13 H new ATOM 0 HA ALA A 22 -6.189 13.124 0.725 1.00 64.25 H new ATOM 0 HB1 ALA A 22 -5.285 10.869 0.993 1.00 74.02 H new ATOM 0 HB2 ALA A 22 -5.887 11.501 2.544 1.00 74.02 H new ATOM 0 HB3 ALA A 22 -6.845 10.305 1.638 1.00 74.02 H new ATOM 314 N PHE A 23 -6.518 12.134 -1.598 1.00 44.25 N ATOM 315 CA PHE A 23 -6.749 11.609 -2.932 1.00 50.12 C ATOM 316 C PHE A 23 -6.207 10.188 -2.915 1.00 65.23 C ATOM 317 O PHE A 23 -4.991 9.984 -2.824 1.00 42.51 O ATOM 318 CB PHE A 23 -6.093 12.515 -3.986 1.00 74.45 C ATOM 319 CG PHE A 23 -6.453 12.192 -5.424 1.00 44.42 C ATOM 320 CD1 PHE A 23 -5.671 11.290 -6.169 1.00 61.15 C ATOM 321 CD2 PHE A 23 -7.538 12.840 -6.043 1.00 13.20 C ATOM 322 CE1 PHE A 23 -5.970 11.034 -7.519 1.00 73.45 C ATOM 323 CE2 PHE A 23 -7.824 12.598 -7.398 1.00 41.21 C ATOM 324 CZ PHE A 23 -7.045 11.694 -8.137 1.00 64.31 C ATOM 0 H PHE A 23 -5.688 12.721 -1.516 1.00 44.25 H new ATOM 0 HA PHE A 23 -7.804 11.590 -3.205 1.00 50.12 H new ATOM 0 HB2 PHE A 23 -6.374 13.548 -3.780 1.00 74.45 H new ATOM 0 HB3 PHE A 23 -5.011 12.451 -3.875 1.00 74.45 H new ATOM 0 HD1 PHE A 23 -4.835 10.791 -5.701 1.00 61.15 H new ATOM 0 HD2 PHE A 23 -8.152 13.524 -5.476 1.00 13.20 H new ATOM 0 HE1 PHE A 23 -5.373 10.330 -8.080 1.00 73.45 H new ATOM 0 HE2 PHE A 23 -8.648 13.110 -7.873 1.00 41.21 H new ATOM 0 HZ PHE A 23 -7.271 11.507 -9.176 1.00 64.31 H new ATOM 333 N ALA A 24 -7.104 9.205 -2.896 1.00 50.25 N ATOM 334 CA ALA A 24 -6.771 7.803 -2.735 1.00 41.21 C ATOM 335 C ALA A 24 -7.549 6.986 -3.747 1.00 34.20 C ATOM 336 O ALA A 24 -8.695 7.309 -4.057 1.00 42.12 O ATOM 337 CB ALA A 24 -7.049 7.361 -1.302 1.00 31.40 C ATOM 0 H ALA A 24 -8.105 9.372 -2.995 1.00 50.25 H new ATOM 0 HA ALA A 24 -5.709 7.644 -2.920 1.00 41.21 H new ATOM 0 HB1 ALA A 24 -6.796 6.307 -1.191 1.00 31.40 H new ATOM 0 HB2 ALA A 24 -6.445 7.954 -0.615 1.00 31.40 H new ATOM 0 HB3 ALA A 24 -8.105 7.506 -1.075 1.00 31.40 H new ATOM 343 N THR A 25 -6.901 5.949 -4.272 1.00 72.05 N ATOM 344 CA THR A 25 -7.420 5.211 -5.417 1.00 65.12 C ATOM 345 C THR A 25 -6.670 3.889 -5.593 1.00 62.22 C ATOM 346 O THR A 25 -5.565 3.710 -5.067 1.00 44.54 O ATOM 347 CB THR A 25 -7.363 6.103 -6.666 1.00 24.03 C ATOM 348 OG1 THR A 25 -8.031 5.493 -7.745 1.00 65.03 O ATOM 349 CG2 THR A 25 -5.931 6.439 -7.064 1.00 45.53 C ATOM 0 H THR A 25 -6.010 5.600 -3.919 1.00 72.05 H new ATOM 0 HA THR A 25 -8.464 4.947 -5.248 1.00 65.12 H new ATOM 0 HB THR A 25 -7.867 7.036 -6.414 1.00 24.03 H new ATOM 0 HG1 THR A 25 -7.985 6.077 -8.531 1.00 65.03 H new ATOM 0 HG21 THR A 25 -5.939 7.071 -7.952 1.00 45.53 H new ATOM 0 HG22 THR A 25 -5.441 6.968 -6.247 1.00 45.53 H new ATOM 0 HG23 THR A 25 -5.388 5.519 -7.279 1.00 45.53 H new ATOM 357 N VAL A 26 -7.273 2.967 -6.341 1.00 45.15 N ATOM 358 CA VAL A 26 -6.683 1.712 -6.773 1.00 21.11 C ATOM 359 C VAL A 26 -6.210 1.899 -8.214 1.00 72.34 C ATOM 360 O VAL A 26 -7.010 1.876 -9.151 1.00 31.23 O ATOM 361 CB VAL A 26 -7.687 0.547 -6.652 1.00 43.25 C ATOM 362 CG1 VAL A 26 -6.941 -0.776 -6.851 1.00 73.35 C ATOM 363 CG2 VAL A 26 -8.421 0.509 -5.304 1.00 21.23 C ATOM 0 H VAL A 26 -8.230 3.085 -6.675 1.00 45.15 H new ATOM 0 HA VAL A 26 -5.840 1.451 -6.133 1.00 21.11 H new ATOM 0 HB VAL A 26 -8.444 0.700 -7.421 1.00 43.25 H new ATOM 0 HG11 VAL A 26 -7.643 -1.606 -6.767 1.00 73.35 H new ATOM 0 HG12 VAL A 26 -6.480 -0.789 -7.839 1.00 73.35 H new ATOM 0 HG13 VAL A 26 -6.168 -0.876 -6.089 1.00 73.35 H new ATOM 0 HG21 VAL A 26 -9.111 -0.335 -5.289 1.00 21.23 H new ATOM 0 HG22 VAL A 26 -7.696 0.400 -4.498 1.00 21.23 H new ATOM 0 HG23 VAL A 26 -8.979 1.436 -5.167 1.00 21.23 H new ATOM 373 N ALA A 27 -4.902 2.057 -8.409 1.00 12.31 N ATOM 374 CA ALA A 27 -4.323 2.131 -9.742 1.00 53.35 C ATOM 375 C ALA A 27 -4.219 0.744 -10.396 1.00 12.52 C ATOM 376 O ALA A 27 -3.959 0.646 -11.593 1.00 52.42 O ATOM 377 CB ALA A 27 -2.956 2.810 -9.640 1.00 3.53 C ATOM 0 H ALA A 27 -4.222 2.136 -7.653 1.00 12.31 H new ATOM 0 HA ALA A 27 -4.975 2.720 -10.387 1.00 53.35 H new ATOM 0 HB1 ALA A 27 -2.507 2.874 -10.631 1.00 3.53 H new ATOM 0 HB2 ALA A 27 -3.078 3.813 -9.231 1.00 3.53 H new ATOM 0 HB3 ALA A 27 -2.308 2.227 -8.985 1.00 3.53 H new ATOM 383 N ARG A 28 -4.402 -0.350 -9.641 1.00 70.03 N ATOM 384 CA ARG A 28 -4.181 -1.704 -10.161 1.00 13.43 C ATOM 385 C ARG A 28 -5.056 -2.690 -9.415 1.00 44.35 C ATOM 386 O ARG A 28 -4.859 -2.900 -8.219 1.00 74.12 O ATOM 387 CB ARG A 28 -2.694 -2.050 -10.016 1.00 74.21 C ATOM 388 CG ARG A 28 -2.069 -3.127 -10.906 1.00 12.24 C ATOM 389 CD ARG A 28 -1.334 -2.453 -12.073 1.00 34.41 C ATOM 390 NE ARG A 28 -0.404 -3.366 -12.757 1.00 64.32 N ATOM 391 CZ ARG A 28 -0.719 -4.425 -13.513 1.00 33.20 C ATOM 392 NH1 ARG A 28 -1.983 -4.727 -13.785 1.00 5.41 N ATOM 393 NH2 ARG A 28 0.258 -5.182 -14.004 1.00 65.21 N ATOM 0 H ARG A 28 -4.703 -0.321 -8.667 1.00 70.03 H new ATOM 0 HA ARG A 28 -4.451 -1.756 -11.216 1.00 13.43 H new ATOM 0 HB2 ARG A 28 -2.130 -1.131 -10.175 1.00 74.21 H new ATOM 0 HB3 ARG A 28 -2.530 -2.350 -8.981 1.00 74.21 H new ATOM 0 HG2 ARG A 28 -1.375 -3.737 -10.327 1.00 12.24 H new ATOM 0 HG3 ARG A 28 -2.842 -3.796 -11.285 1.00 12.24 H new ATOM 0 HD2 ARG A 28 -2.064 -2.079 -12.791 1.00 34.41 H new ATOM 0 HD3 ARG A 28 -0.782 -1.590 -11.701 1.00 34.41 H new ATOM 0 HE ARG A 28 0.590 -3.170 -12.642 1.00 64.32 H new ATOM 0 HH11 ARG A 28 -2.737 -4.147 -13.416 1.00 5.41 H new ATOM 0 HH12 ARG A 28 -2.200 -5.539 -14.363 1.00 5.41 H new ATOM 0 HH21 ARG A 28 1.231 -4.952 -13.803 1.00 65.21 H new ATOM 0 HH22 ARG A 28 0.034 -5.992 -14.582 1.00 65.21 H new ATOM 404 N LYS A 29 -6.027 -3.275 -10.108 1.00 74.22 N ATOM 405 CA LYS A 29 -6.712 -4.485 -9.685 1.00 51.55 C ATOM 406 C LYS A 29 -5.753 -5.666 -9.838 1.00 12.54 C ATOM 407 O LYS A 29 -5.080 -5.757 -10.869 1.00 61.35 O ATOM 408 CB LYS A 29 -7.954 -4.655 -10.582 1.00 65.24 C ATOM 409 CG LYS A 29 -8.761 -5.953 -10.358 1.00 70.03 C ATOM 410 CD LYS A 29 -9.286 -6.169 -8.931 1.00 13.22 C ATOM 411 CE LYS A 29 -10.493 -5.279 -8.630 1.00 22.00 C ATOM 412 NZ LYS A 29 -11.758 -6.031 -8.546 1.00 41.51 N ATOM 0 H LYS A 29 -6.365 -2.911 -10.999 1.00 74.22 H new ATOM 0 HA LYS A 29 -7.026 -4.431 -8.642 1.00 51.55 H new ATOM 0 HB2 LYS A 29 -8.616 -3.804 -10.422 1.00 65.24 H new ATOM 0 HB3 LYS A 29 -7.636 -4.620 -11.624 1.00 65.24 H new ATOM 0 HG2 LYS A 29 -9.609 -5.955 -11.042 1.00 70.03 H new ATOM 0 HG3 LYS A 29 -8.132 -6.802 -10.627 1.00 70.03 H new ATOM 0 HD2 LYS A 29 -9.564 -7.215 -8.800 1.00 13.22 H new ATOM 0 HD3 LYS A 29 -8.491 -5.958 -8.215 1.00 13.22 H new ATOM 0 HE2 LYS A 29 -10.325 -4.755 -7.689 1.00 22.00 H new ATOM 0 HE3 LYS A 29 -10.580 -4.519 -9.407 1.00 22.00 H new ATOM 0 HZ1 LYS A 29 -12.539 -5.375 -8.340 1.00 41.51 H new ATOM 0 HZ2 LYS A 29 -11.938 -6.510 -9.451 1.00 41.51 H new ATOM 0 HZ3 LYS A 29 -11.691 -6.739 -7.787 1.00 41.51 H new ATOM 422 N GLY A 30 -5.778 -6.589 -8.879 1.00 21.41 N ATOM 423 CA GLY A 30 -5.225 -7.939 -8.937 1.00 42.52 C ATOM 424 C GLY A 30 -6.301 -8.933 -8.474 1.00 11.11 C ATOM 425 O GLY A 30 -7.482 -8.701 -8.734 1.00 1.41 O ATOM 0 H GLY A 30 -6.216 -6.399 -7.978 1.00 21.41 H new ATOM 0 HA2 GLY A 30 -4.906 -8.173 -9.953 1.00 42.52 H new ATOM 0 HA3 GLY A 30 -4.343 -8.014 -8.301 1.00 42.52 H new ATOM 429 N ASP A 31 -5.942 -10.034 -7.801 1.00 64.01 N ATOM 430 CA ASP A 31 -6.920 -11.007 -7.263 1.00 41.45 C ATOM 431 C ASP A 31 -7.569 -10.482 -5.973 1.00 62.11 C ATOM 432 O ASP A 31 -6.891 -9.784 -5.217 1.00 21.44 O ATOM 433 CB ASP A 31 -6.241 -12.331 -6.895 1.00 64.25 C ATOM 434 CG ASP A 31 -7.285 -13.446 -6.829 1.00 31.43 C ATOM 435 OD1 ASP A 31 -7.781 -13.899 -7.885 1.00 74.12 O ATOM 436 OD2 ASP A 31 -7.698 -13.775 -5.694 1.00 71.45 O ATOM 0 H ASP A 31 -4.971 -10.281 -7.611 1.00 64.01 H new ATOM 0 HA ASP A 31 -7.664 -11.154 -8.046 1.00 41.45 H new ATOM 0 HB2 ASP A 31 -5.478 -12.577 -7.634 1.00 64.25 H new ATOM 0 HB3 ASP A 31 -5.735 -12.236 -5.934 1.00 64.25 H new ATOM 440 N ALA A 32 -8.820 -10.837 -5.650 1.00 30.32 N ATOM 441 CA ALA A 32 -9.489 -10.403 -4.420 1.00 74.05 C ATOM 442 C ALA A 32 -9.030 -11.160 -3.167 1.00 61.35 C ATOM 443 O ALA A 32 -9.158 -10.623 -2.061 1.00 50.11 O ATOM 444 CB ALA A 32 -11.009 -10.452 -4.576 1.00 12.34 C ATOM 0 H ALA A 32 -9.398 -11.437 -6.239 1.00 30.32 H new ATOM 0 HA ALA A 32 -9.188 -9.367 -4.263 1.00 74.05 H new ATOM 0 HB1 ALA A 32 -11.481 -10.125 -3.649 1.00 12.34 H new ATOM 0 HB2 ALA A 32 -11.313 -9.793 -5.390 1.00 12.34 H new ATOM 0 HB3 ALA A 32 -11.319 -11.473 -4.801 1.00 12.34 H new ATOM 450 N ARG A 33 -8.469 -12.371 -3.300 1.00 5.24 N ATOM 451 CA ARG A 33 -7.902 -13.102 -2.156 1.00 23.44 C ATOM 452 C ARG A 33 -6.394 -13.228 -2.283 1.00 23.34 C ATOM 453 O ARG A 33 -5.686 -13.109 -1.289 1.00 45.23 O ATOM 454 CB ARG A 33 -8.448 -14.534 -2.020 1.00 13.44 C ATOM 455 CG ARG A 33 -9.957 -14.757 -2.182 1.00 30.12 C ATOM 456 CD ARG A 33 -10.202 -16.257 -1.955 1.00 64.15 C ATOM 457 NE ARG A 33 -11.574 -16.688 -2.247 1.00 51.52 N ATOM 458 CZ ARG A 33 -12.047 -17.185 -3.391 1.00 34.14 C ATOM 459 NH1 ARG A 33 -11.306 -17.245 -4.493 1.00 52.11 N ATOM 460 NH2 ARG A 33 -13.275 -17.673 -3.424 1.00 73.22 N ATOM 0 H ARG A 33 -8.396 -12.866 -4.189 1.00 5.24 H new ATOM 0 HA ARG A 33 -8.188 -12.517 -1.282 1.00 23.44 H new ATOM 0 HB2 ARG A 33 -7.939 -15.155 -2.758 1.00 13.44 H new ATOM 0 HB3 ARG A 33 -8.161 -14.907 -1.037 1.00 13.44 H new ATOM 0 HG2 ARG A 33 -10.517 -14.159 -1.463 1.00 30.12 H new ATOM 0 HG3 ARG A 33 -10.290 -14.455 -3.175 1.00 30.12 H new ATOM 0 HD2 ARG A 33 -9.513 -16.826 -2.579 1.00 64.15 H new ATOM 0 HD3 ARG A 33 -9.968 -16.500 -0.918 1.00 64.15 H new ATOM 0 HE ARG A 33 -12.246 -16.597 -1.485 1.00 51.52 H new ATOM 0 HH11 ARG A 33 -10.344 -16.905 -4.480 1.00 52.11 H new ATOM 0 HH12 ARG A 33 -11.699 -17.631 -5.351 1.00 52.11 H new ATOM 0 HH21 ARG A 33 -13.849 -17.667 -2.581 1.00 73.22 H new ATOM 0 HH22 ARG A 33 -13.648 -18.056 -4.293 1.00 73.22 H new ATOM 471 N ALA A 34 -5.908 -13.548 -3.481 1.00 71.04 N ATOM 472 CA ALA A 34 -4.562 -14.062 -3.708 1.00 10.30 C ATOM 473 C ALA A 34 -3.652 -12.991 -4.302 1.00 65.01 C ATOM 474 O ALA A 34 -2.552 -13.298 -4.769 1.00 34.11 O ATOM 475 CB ALA A 34 -4.643 -15.309 -4.599 1.00 74.11 C ATOM 0 H ALA A 34 -6.452 -13.454 -4.338 1.00 71.04 H new ATOM 0 HA ALA A 34 -4.118 -14.345 -2.754 1.00 10.30 H new ATOM 0 HB1 ALA A 34 -3.640 -15.698 -4.772 1.00 74.11 H new ATOM 0 HB2 ALA A 34 -5.247 -16.070 -4.105 1.00 74.11 H new ATOM 0 HB3 ALA A 34 -5.100 -15.046 -5.553 1.00 74.11 H new ATOM 481 N GLY A 35 -4.131 -11.752 -4.333 1.00 34.04 N ATOM 482 CA GLY A 35 -3.461 -10.649 -4.963 1.00 3.40 C ATOM 483 C GLY A 35 -2.576 -10.055 -3.892 1.00 21.12 C ATOM 484 O GLY A 35 -3.050 -9.685 -2.815 1.00 31.41 O ATOM 0 H GLY A 35 -5.020 -11.493 -3.906 1.00 34.04 H new ATOM 0 HA2 GLY A 35 -2.873 -10.983 -5.818 1.00 3.40 H new ATOM 0 HA3 GLY A 35 -4.176 -9.915 -5.334 1.00 3.40 H new ATOM 488 N ALA A 36 -1.291 -10.015 -4.198 1.00 33.43 N ATOM 489 CA ALA A 36 -0.346 -9.154 -3.494 1.00 41.32 C ATOM 490 C ALA A 36 -0.712 -7.689 -3.775 1.00 62.34 C ATOM 491 O ALA A 36 -1.485 -7.424 -4.690 1.00 50.32 O ATOM 492 CB ALA A 36 1.071 -9.478 -3.969 1.00 45.55 C ATOM 0 H ALA A 36 -0.870 -10.576 -4.939 1.00 33.43 H new ATOM 0 HA ALA A 36 -0.391 -9.322 -2.418 1.00 41.32 H new ATOM 0 HB1 ALA A 36 1.784 -8.839 -3.448 1.00 45.55 H new ATOM 0 HB2 ALA A 36 1.296 -10.523 -3.756 1.00 45.55 H new ATOM 0 HB3 ALA A 36 1.144 -9.303 -5.042 1.00 45.55 H new ATOM 498 N VAL A 37 -0.155 -6.724 -3.042 1.00 51.53 N ATOM 499 CA VAL A 37 -0.469 -5.303 -3.103 1.00 21.13 C ATOM 500 C VAL A 37 0.808 -4.517 -2.857 1.00 71.24 C ATOM 501 O VAL A 37 1.579 -4.876 -1.968 1.00 4.11 O ATOM 502 CB VAL A 37 -1.527 -4.961 -2.018 1.00 71.03 C ATOM 503 CG1 VAL A 37 -1.908 -6.123 -1.111 1.00 30.43 C ATOM 504 CG2 VAL A 37 -1.455 -3.519 -1.508 1.00 12.31 C ATOM 0 H VAL A 37 0.568 -6.929 -2.352 1.00 51.53 H new ATOM 0 HA VAL A 37 -0.875 -5.045 -4.081 1.00 21.13 H new ATOM 0 HB VAL A 37 -2.506 -4.876 -2.490 1.00 71.03 H new ATOM 0 HG11 VAL A 37 -2.651 -5.790 -0.386 1.00 30.43 H new ATOM 0 HG12 VAL A 37 -2.324 -6.932 -1.711 1.00 30.43 H new ATOM 0 HG13 VAL A 37 -1.022 -6.480 -0.585 1.00 30.43 H new ATOM 0 HG21 VAL A 37 -2.226 -3.361 -0.754 1.00 12.31 H new ATOM 0 HG22 VAL A 37 -0.474 -3.337 -1.068 1.00 12.31 H new ATOM 0 HG23 VAL A 37 -1.613 -2.831 -2.338 1.00 12.31 H new ATOM 514 N LEU A 38 0.965 -3.385 -3.537 1.00 21.31 N ATOM 515 CA LEU A 38 1.757 -2.266 -3.062 1.00 71.33 C ATOM 516 C LEU A 38 0.809 -1.149 -2.660 1.00 34.02 C ATOM 517 O LEU A 38 -0.152 -0.857 -3.373 1.00 25.40 O ATOM 518 CB LEU A 38 2.711 -1.777 -4.161 1.00 44.12 C ATOM 519 CG LEU A 38 3.851 -2.764 -4.468 1.00 52.51 C ATOM 520 CD1 LEU A 38 4.741 -2.182 -5.563 1.00 54.52 C ATOM 521 CD2 LEU A 38 4.706 -3.056 -3.233 1.00 43.32 C ATOM 0 H LEU A 38 0.536 -3.222 -4.448 1.00 21.31 H new ATOM 0 HA LEU A 38 2.359 -2.576 -2.208 1.00 71.33 H new ATOM 0 HB2 LEU A 38 2.141 -1.598 -5.073 1.00 44.12 H new ATOM 0 HB3 LEU A 38 3.140 -0.821 -3.860 1.00 44.12 H new ATOM 0 HG LEU A 38 3.399 -3.701 -4.794 1.00 52.51 H new ATOM 0 HD11 LEU A 38 5.550 -2.879 -5.783 1.00 54.52 H new ATOM 0 HD12 LEU A 38 4.149 -2.017 -6.463 1.00 54.52 H new ATOM 0 HD13 LEU A 38 5.160 -1.234 -5.226 1.00 54.52 H new ATOM 0 HD21 LEU A 38 5.498 -3.757 -3.496 1.00 43.32 H new ATOM 0 HD22 LEU A 38 5.148 -2.129 -2.869 1.00 43.32 H new ATOM 0 HD23 LEU A 38 4.081 -3.491 -2.453 1.00 43.32 H new ATOM 532 N VAL A 39 1.108 -0.501 -1.538 1.00 64.45 N ATOM 533 CA VAL A 39 0.456 0.736 -1.129 1.00 73.44 C ATOM 534 C VAL A 39 1.542 1.786 -1.015 1.00 52.31 C ATOM 535 O VAL A 39 2.370 1.739 -0.106 1.00 30.22 O ATOM 536 CB VAL A 39 -0.337 0.609 0.178 1.00 22.31 C ATOM 537 CG1 VAL A 39 -1.180 1.866 0.442 1.00 53.41 C ATOM 538 CG2 VAL A 39 -1.258 -0.614 0.167 1.00 50.44 C ATOM 0 H VAL A 39 1.818 -0.825 -0.881 1.00 64.45 H new ATOM 0 HA VAL A 39 -0.290 1.011 -1.874 1.00 73.44 H new ATOM 0 HB VAL A 39 0.397 0.491 0.975 1.00 22.31 H new ATOM 0 HG11 VAL A 39 -1.730 1.746 1.375 1.00 53.41 H new ATOM 0 HG12 VAL A 39 -0.525 2.734 0.516 1.00 53.41 H new ATOM 0 HG13 VAL A 39 -1.883 2.011 -0.378 1.00 53.41 H new ATOM 0 HG21 VAL A 39 -1.802 -0.668 1.110 1.00 50.44 H new ATOM 0 HG22 VAL A 39 -1.967 -0.528 -0.656 1.00 50.44 H new ATOM 0 HG23 VAL A 39 -0.662 -1.517 0.040 1.00 50.44 H new ATOM 548 N LYS A 40 1.584 2.724 -1.950 1.00 62.03 N ATOM 549 CA LYS A 40 2.511 3.838 -1.857 1.00 34.02 C ATOM 550 C LYS A 40 1.766 4.985 -1.170 1.00 33.34 C ATOM 551 O LYS A 40 0.612 5.263 -1.511 1.00 53.33 O ATOM 552 CB LYS A 40 3.025 4.134 -3.274 1.00 13.31 C ATOM 553 CG LYS A 40 3.561 5.557 -3.439 1.00 32.31 C ATOM 554 CD LYS A 40 4.371 5.731 -4.729 1.00 72.44 C ATOM 555 CE LYS A 40 4.817 7.194 -4.805 1.00 41.45 C ATOM 556 NZ LYS A 40 5.629 7.493 -5.995 1.00 43.14 N ATOM 0 H LYS A 40 0.989 2.735 -2.778 1.00 62.03 H new ATOM 0 HA LYS A 40 3.398 3.642 -1.254 1.00 34.02 H new ATOM 0 HB2 LYS A 40 3.815 3.425 -3.522 1.00 13.31 H new ATOM 0 HB3 LYS A 40 2.217 3.973 -3.987 1.00 13.31 H new ATOM 0 HG2 LYS A 40 2.727 6.259 -3.440 1.00 32.31 H new ATOM 0 HG3 LYS A 40 4.188 5.808 -2.583 1.00 32.31 H new ATOM 0 HD2 LYS A 40 5.235 5.067 -4.730 1.00 72.44 H new ATOM 0 HD3 LYS A 40 3.767 5.470 -5.598 1.00 72.44 H new ATOM 0 HE2 LYS A 40 3.936 7.836 -4.804 1.00 41.45 H new ATOM 0 HE3 LYS A 40 5.391 7.439 -3.911 1.00 41.45 H new ATOM 0 HZ1 LYS A 40 6.564 7.838 -5.699 1.00 43.14 H new ATOM 0 HZ2 LYS A 40 5.742 6.630 -6.564 1.00 43.14 H new ATOM 0 HZ3 LYS A 40 5.155 8.223 -6.564 1.00 43.14 H new ATOM 566 N ALA A 41 2.405 5.636 -0.198 1.00 73.23 N ATOM 567 CA ALA A 41 1.864 6.781 0.525 1.00 44.32 C ATOM 568 C ALA A 41 2.832 7.944 0.340 1.00 14.33 C ATOM 569 O ALA A 41 4.049 7.742 0.372 1.00 52.12 O ATOM 570 CB ALA A 41 1.679 6.438 2.009 1.00 74.24 C ATOM 0 H ALA A 41 3.339 5.372 0.115 1.00 73.23 H new ATOM 0 HA ALA A 41 0.883 7.053 0.137 1.00 44.32 H new ATOM 0 HB1 ALA A 41 1.275 7.303 2.535 1.00 74.24 H new ATOM 0 HB2 ALA A 41 0.989 5.600 2.105 1.00 74.24 H new ATOM 0 HB3 ALA A 41 2.642 6.167 2.443 1.00 74.24 H new ATOM 576 N VAL A 42 2.304 9.149 0.135 1.00 50.34 N ATOM 577 CA VAL A 42 3.096 10.308 -0.244 1.00 50.42 C ATOM 578 C VAL A 42 2.583 11.516 0.535 1.00 62.22 C ATOM 579 O VAL A 42 1.457 11.975 0.309 1.00 62.03 O ATOM 580 CB VAL A 42 3.010 10.516 -1.763 1.00 53.44 C ATOM 581 CG1 VAL A 42 3.948 11.658 -2.187 1.00 33.22 C ATOM 582 CG2 VAL A 42 3.380 9.273 -2.584 1.00 74.43 C ATOM 0 H VAL A 42 1.308 9.346 0.229 1.00 50.34 H new ATOM 0 HA VAL A 42 4.148 10.162 0.001 1.00 50.42 H new ATOM 0 HB VAL A 42 1.965 10.749 -1.969 1.00 53.44 H new ATOM 0 HG11 VAL A 42 3.883 11.801 -3.266 1.00 33.22 H new ATOM 0 HG12 VAL A 42 3.654 12.577 -1.681 1.00 33.22 H new ATOM 0 HG13 VAL A 42 4.973 11.406 -1.916 1.00 33.22 H new ATOM 0 HG21 VAL A 42 3.295 9.500 -3.647 1.00 74.43 H new ATOM 0 HG22 VAL A 42 4.405 8.979 -2.357 1.00 74.43 H new ATOM 0 HG23 VAL A 42 2.704 8.456 -2.332 1.00 74.43 H new ATOM 592 N ASP A 43 3.426 12.006 1.439 1.00 63.43 N ATOM 593 CA ASP A 43 3.244 13.146 2.327 1.00 70.35 C ATOM 594 C ASP A 43 3.099 14.427 1.503 1.00 63.41 C ATOM 595 O ASP A 43 4.082 15.104 1.196 1.00 24.44 O ATOM 596 CB ASP A 43 4.447 13.340 3.271 1.00 52.44 C ATOM 597 CG ASP A 43 4.819 12.198 4.207 1.00 10.31 C ATOM 598 OD1 ASP A 43 4.533 11.015 3.923 1.00 13.54 O ATOM 599 OD2 ASP A 43 5.548 12.490 5.189 1.00 54.32 O ATOM 0 H ASP A 43 4.339 11.573 1.580 1.00 63.43 H new ATOM 0 HA ASP A 43 2.350 12.947 2.918 1.00 70.35 H new ATOM 0 HB2 ASP A 43 5.319 13.565 2.657 1.00 52.44 H new ATOM 0 HB3 ASP A 43 4.252 14.221 3.882 1.00 52.44 H new ATOM 603 N ARG A 44 1.875 14.840 1.179 1.00 72.44 N ATOM 604 CA ARG A 44 1.636 16.120 0.510 1.00 31.12 C ATOM 605 C ARG A 44 2.149 17.319 1.317 1.00 22.33 C ATOM 606 O ARG A 44 2.202 18.413 0.762 1.00 43.22 O ATOM 607 CB ARG A 44 0.143 16.287 0.157 1.00 61.23 C ATOM 608 CG ARG A 44 -0.344 15.451 -1.025 1.00 32.01 C ATOM 609 CD ARG A 44 0.298 15.870 -2.359 1.00 71.05 C ATOM 610 NE ARG A 44 -0.165 17.193 -2.799 1.00 22.11 N ATOM 611 CZ ARG A 44 -1.312 17.443 -3.439 1.00 53.32 C ATOM 612 NH1 ARG A 44 -2.159 16.485 -3.798 1.00 34.40 N ATOM 613 NH2 ARG A 44 -1.666 18.700 -3.666 1.00 24.31 N ATOM 0 H ARG A 44 1.028 14.304 1.370 1.00 72.44 H new ATOM 0 HA ARG A 44 2.212 16.101 -0.415 1.00 31.12 H new ATOM 0 HB2 ARG A 44 -0.452 16.029 1.033 1.00 61.23 H new ATOM 0 HB3 ARG A 44 -0.047 17.338 -0.059 1.00 61.23 H new ATOM 0 HG2 ARG A 44 -0.124 14.400 -0.836 1.00 32.01 H new ATOM 0 HG3 ARG A 44 -1.427 15.540 -1.105 1.00 32.01 H new ATOM 0 HD2 ARG A 44 1.383 15.882 -2.252 1.00 71.05 H new ATOM 0 HD3 ARG A 44 0.062 15.130 -3.124 1.00 71.05 H new ATOM 0 HE ARG A 44 0.440 17.989 -2.599 1.00 22.11 H new ATOM 0 HH11 ARG A 44 -1.946 15.510 -3.587 1.00 34.40 H new ATOM 0 HH12 ARG A 44 -3.023 16.724 -4.285 1.00 34.40 H new ATOM 0 HH21 ARG A 44 -1.066 19.463 -3.353 1.00 24.31 H new ATOM 0 HH22 ARG A 44 -2.539 18.904 -4.153 1.00 24.31 H new ATOM 624 N ARG A 45 2.491 17.185 2.605 1.00 53.33 N ATOM 625 CA ARG A 45 3.168 18.243 3.360 1.00 10.40 C ATOM 626 C ARG A 45 4.538 18.495 2.748 1.00 21.21 C ATOM 627 O ARG A 45 4.686 19.449 1.983 1.00 42.54 O ATOM 628 CB ARG A 45 3.227 17.897 4.859 1.00 65.11 C ATOM 629 CG ARG A 45 1.921 18.324 5.538 1.00 70.41 C ATOM 630 CD ARG A 45 1.697 17.586 6.858 1.00 14.14 C ATOM 631 NE ARG A 45 2.479 18.114 7.977 1.00 72.23 N ATOM 632 CZ ARG A 45 2.052 18.995 8.884 1.00 45.22 C ATOM 633 NH1 ARG A 45 0.939 19.704 8.697 1.00 52.25 N ATOM 634 NH2 ARG A 45 2.761 19.140 9.989 1.00 23.20 N ATOM 0 H ARG A 45 2.306 16.343 3.150 1.00 53.33 H new ATOM 0 HA ARG A 45 2.601 19.172 3.293 1.00 10.40 H new ATOM 0 HB2 ARG A 45 3.383 16.826 4.989 1.00 65.11 H new ATOM 0 HB3 ARG A 45 4.073 18.401 5.326 1.00 65.11 H new ATOM 0 HG2 ARG A 45 1.942 19.398 5.722 1.00 70.41 H new ATOM 0 HG3 ARG A 45 1.083 18.131 4.868 1.00 70.41 H new ATOM 0 HD2 ARG A 45 0.638 17.634 7.114 1.00 14.14 H new ATOM 0 HD3 ARG A 45 1.944 16.533 6.720 1.00 14.14 H new ATOM 0 HE ARG A 45 3.437 17.778 8.072 1.00 72.23 H new ATOM 0 HH11 ARG A 45 0.392 19.579 7.845 1.00 52.25 H new ATOM 0 HH12 ARG A 45 0.634 20.371 9.406 1.00 52.25 H new ATOM 0 HH21 ARG A 45 3.607 18.587 10.128 1.00 23.20 H new ATOM 0 HH22 ARG A 45 2.463 19.805 10.703 1.00 23.20 H new ATOM 645 N GLU A 46 5.527 17.662 3.058 1.00 5.11 N ATOM 646 CA GLU A 46 6.912 17.942 2.686 1.00 34.40 C ATOM 647 C GLU A 46 7.228 17.468 1.268 1.00 73.23 C ATOM 648 O GLU A 46 8.100 18.043 0.613 1.00 63.03 O ATOM 649 CB GLU A 46 7.872 17.278 3.682 1.00 31.03 C ATOM 650 CG GLU A 46 7.532 17.648 5.132 1.00 25.43 C ATOM 651 CD GLU A 46 8.735 17.531 6.061 1.00 74.14 C ATOM 652 OE1 GLU A 46 9.503 18.515 6.194 1.00 5.24 O ATOM 653 OE2 GLU A 46 8.940 16.470 6.686 1.00 34.30 O ATOM 0 H GLU A 46 5.396 16.787 3.566 1.00 5.11 H new ATOM 0 HA GLU A 46 7.046 19.023 2.714 1.00 34.40 H new ATOM 0 HB2 GLU A 46 7.828 16.195 3.563 1.00 31.03 H new ATOM 0 HB3 GLU A 46 8.895 17.582 3.459 1.00 31.03 H new ATOM 0 HG2 GLU A 46 7.151 18.669 5.163 1.00 25.43 H new ATOM 0 HG3 GLU A 46 6.734 16.998 5.492 1.00 25.43 H new ATOM 658 N GLY A 47 6.508 16.454 0.788 1.00 5.10 N ATOM 659 CA GLY A 47 6.815 15.666 -0.395 1.00 12.14 C ATOM 660 C GLY A 47 7.421 14.310 -0.027 1.00 63.05 C ATOM 661 O GLY A 47 7.670 13.503 -0.926 1.00 54.55 O ATOM 0 H GLY A 47 5.648 16.147 1.243 1.00 5.10 H new ATOM 0 HA2 GLY A 47 5.906 15.513 -0.977 1.00 12.14 H new ATOM 0 HA3 GLY A 47 7.511 16.216 -1.029 1.00 12.14 H new ATOM 665 N THR A 48 7.677 14.037 1.258 1.00 23.14 N ATOM 666 CA THR A 48 8.219 12.771 1.737 1.00 3.21 C ATOM 667 C THR A 48 7.338 11.612 1.252 1.00 1.20 C ATOM 668 O THR A 48 6.144 11.772 1.005 1.00 11.20 O ATOM 669 CB THR A 48 8.402 12.826 3.273 1.00 72.44 C ATOM 670 OG1 THR A 48 7.538 13.755 3.904 1.00 13.54 O ATOM 671 CG2 THR A 48 9.821 13.291 3.615 1.00 34.44 C ATOM 0 H THR A 48 7.507 14.709 2.006 1.00 23.14 H new ATOM 0 HA THR A 48 9.210 12.593 1.320 1.00 3.21 H new ATOM 0 HB THR A 48 8.186 11.818 3.626 1.00 72.44 H new ATOM 0 HG1 THR A 48 7.039 13.305 4.618 1.00 13.54 H new ATOM 0 HG21 THR A 48 9.941 13.327 4.698 1.00 34.44 H new ATOM 0 HG22 THR A 48 10.544 12.593 3.193 1.00 34.44 H new ATOM 0 HG23 THR A 48 9.989 14.284 3.198 1.00 34.44 H new ATOM 679 N ALA A 49 7.936 10.446 1.036 1.00 31.02 N ATOM 680 CA ALA A 49 7.310 9.367 0.297 1.00 22.22 C ATOM 681 C ALA A 49 7.754 8.043 0.903 1.00 64.45 C ATOM 682 O ALA A 49 8.922 7.874 1.268 1.00 74.13 O ATOM 683 CB ALA A 49 7.693 9.506 -1.182 1.00 22.13 C ATOM 0 H ALA A 49 8.874 10.226 1.372 1.00 31.02 H new ATOM 0 HA ALA A 49 6.223 9.406 0.360 1.00 22.22 H new ATOM 0 HB1 ALA A 49 7.231 8.702 -1.755 1.00 22.13 H new ATOM 0 HB2 ALA A 49 7.344 10.467 -1.559 1.00 22.13 H new ATOM 0 HB3 ALA A 49 8.777 9.448 -1.284 1.00 22.13 H new ATOM 689 N ARG A 50 6.803 7.120 1.042 1.00 2.54 N ATOM 690 CA ARG A 50 7.001 5.785 1.607 1.00 14.13 C ATOM 691 C ARG A 50 6.298 4.757 0.743 1.00 22.31 C ATOM 692 O ARG A 50 5.314 5.074 0.065 1.00 53.33 O ATOM 693 CB ARG A 50 6.439 5.728 3.037 1.00 44.25 C ATOM 694 CG ARG A 50 7.334 6.436 4.059 1.00 10.33 C ATOM 695 CD ARG A 50 8.499 5.544 4.492 1.00 63.44 C ATOM 696 NE ARG A 50 9.556 6.316 5.157 1.00 70.02 N ATOM 697 CZ ARG A 50 10.799 5.888 5.397 1.00 33.24 C ATOM 698 NH1 ARG A 50 11.172 4.664 5.034 1.00 24.42 N ATOM 699 NH2 ARG A 50 11.664 6.698 5.993 1.00 62.24 N ATOM 0 H ARG A 50 5.839 7.287 0.754 1.00 2.54 H new ATOM 0 HA ARG A 50 8.069 5.567 1.636 1.00 14.13 H new ATOM 0 HB2 ARG A 50 5.449 6.184 3.051 1.00 44.25 H new ATOM 0 HB3 ARG A 50 6.314 4.686 3.331 1.00 44.25 H new ATOM 0 HG2 ARG A 50 7.721 7.359 3.628 1.00 10.33 H new ATOM 0 HG3 ARG A 50 6.743 6.715 4.931 1.00 10.33 H new ATOM 0 HD2 ARG A 50 8.134 4.770 5.167 1.00 63.44 H new ATOM 0 HD3 ARG A 50 8.912 5.037 3.620 1.00 63.44 H new ATOM 0 HE ARG A 50 9.321 7.261 5.462 1.00 70.02 H new ATOM 0 HH11 ARG A 50 10.508 4.045 4.569 1.00 24.42 H new ATOM 0 HH12 ARG A 50 12.122 4.344 5.220 1.00 24.42 H new ATOM 0 HH21 ARG A 50 11.378 7.639 6.264 1.00 62.24 H new ATOM 0 HH22 ARG A 50 12.615 6.380 6.180 1.00 62.24 H new ATOM 710 N LEU A 51 6.764 3.516 0.812 1.00 24.21 N ATOM 711 CA LEU A 51 6.222 2.404 0.046 1.00 22.24 C ATOM 712 C LEU A 51 5.976 1.267 0.989 1.00 25.13 C ATOM 713 O LEU A 51 6.891 0.843 1.696 1.00 53.53 O ATOM 714 CB LEU A 51 7.193 1.949 -1.052 1.00 11.54 C ATOM 715 CG LEU A 51 6.510 1.992 -2.424 1.00 73.31 C ATOM 716 CD1 LEU A 51 7.529 2.242 -3.518 1.00 22.30 C ATOM 717 CD2 LEU A 51 5.794 0.683 -2.756 1.00 62.45 C ATOM 0 H LEU A 51 7.544 3.251 1.414 1.00 24.21 H new ATOM 0 HA LEU A 51 5.299 2.724 -0.438 1.00 22.24 H new ATOM 0 HB2 LEU A 51 8.073 2.592 -1.057 1.00 11.54 H new ATOM 0 HB3 LEU A 51 7.539 0.937 -0.843 1.00 11.54 H new ATOM 0 HG LEU A 51 5.781 2.800 -2.374 1.00 73.31 H new ATOM 0 HD11 LEU A 51 7.026 2.269 -4.485 1.00 22.30 H new ATOM 0 HD12 LEU A 51 8.026 3.196 -3.341 1.00 22.30 H new ATOM 0 HD13 LEU A 51 8.268 1.441 -3.516 1.00 22.30 H new ATOM 0 HD21 LEU A 51 5.326 0.763 -3.737 1.00 62.45 H new ATOM 0 HD22 LEU A 51 6.515 -0.134 -2.763 1.00 62.45 H new ATOM 0 HD23 LEU A 51 5.030 0.486 -2.004 1.00 62.45 H new ATOM 728 N PHE A 52 4.753 0.763 0.957 1.00 45.32 N ATOM 729 CA PHE A 52 4.383 -0.385 1.749 1.00 42.25 C ATOM 730 C PHE A 52 4.029 -1.513 0.803 1.00 33.42 C ATOM 731 O PHE A 52 3.510 -1.306 -0.294 1.00 1.44 O ATOM 732 CB PHE A 52 3.258 -0.020 2.714 1.00 45.22 C ATOM 733 CG PHE A 52 3.570 1.224 3.523 1.00 53.51 C ATOM 734 CD1 PHE A 52 4.729 1.273 4.324 1.00 62.45 C ATOM 735 CD2 PHE A 52 2.764 2.370 3.384 1.00 14.31 C ATOM 736 CE1 PHE A 52 5.089 2.469 4.970 1.00 43.12 C ATOM 737 CE2 PHE A 52 3.113 3.558 4.047 1.00 71.24 C ATOM 738 CZ PHE A 52 4.275 3.606 4.840 1.00 2.40 C ATOM 0 H PHE A 52 3.998 1.139 0.384 1.00 45.32 H new ATOM 0 HA PHE A 52 5.210 -0.720 2.376 1.00 42.25 H new ATOM 0 HB2 PHE A 52 2.338 0.137 2.152 1.00 45.22 H new ATOM 0 HB3 PHE A 52 3.079 -0.855 3.391 1.00 45.22 H new ATOM 0 HD1 PHE A 52 5.341 0.391 4.442 1.00 62.45 H new ATOM 0 HD2 PHE A 52 1.878 2.336 2.768 1.00 14.31 H new ATOM 0 HE1 PHE A 52 5.989 2.513 5.565 1.00 43.12 H new ATOM 0 HE2 PHE A 52 2.490 4.435 3.948 1.00 71.24 H new ATOM 0 HZ PHE A 52 4.541 4.520 5.350 1.00 2.40 H new ATOM 747 N SER A 53 4.350 -2.720 1.225 1.00 30.02 N ATOM 748 CA SER A 53 4.274 -3.922 0.437 1.00 24.01 C ATOM 749 C SER A 53 3.732 -5.007 1.348 1.00 33.11 C ATOM 750 O SER A 53 3.943 -4.953 2.564 1.00 44.22 O ATOM 751 CB SER A 53 5.703 -4.187 -0.023 1.00 30.02 C ATOM 752 OG SER A 53 5.852 -5.235 -0.944 1.00 52.11 O ATOM 0 H SER A 53 4.686 -2.891 2.173 1.00 30.02 H new ATOM 0 HA SER A 53 3.622 -3.866 -0.435 1.00 24.01 H new ATOM 0 HB2 SER A 53 6.099 -3.274 -0.469 1.00 30.02 H new ATOM 0 HB3 SER A 53 6.314 -4.405 0.853 1.00 30.02 H new ATOM 0 HG SER A 53 6.561 -5.839 -0.640 1.00 52.11 H new ATOM 757 N GLU A 54 3.009 -5.961 0.774 1.00 61.12 N ATOM 758 CA GLU A 54 2.534 -7.091 1.535 1.00 43.51 C ATOM 759 C GLU A 54 3.720 -7.889 2.078 1.00 23.40 C ATOM 760 O GLU A 54 4.842 -7.868 1.545 1.00 42.21 O ATOM 761 CB GLU A 54 1.529 -7.924 0.726 1.00 50.35 C ATOM 762 CG GLU A 54 2.128 -8.932 -0.272 1.00 45.33 C ATOM 763 CD GLU A 54 1.572 -10.344 -0.052 1.00 30.04 C ATOM 764 OE1 GLU A 54 1.634 -10.857 1.092 1.00 52.11 O ATOM 765 OE2 GLU A 54 0.978 -10.919 -0.990 1.00 50.35 O ATOM 0 H GLU A 54 2.744 -5.968 -0.211 1.00 61.12 H new ATOM 0 HA GLU A 54 1.975 -6.742 2.403 1.00 43.51 H new ATOM 0 HB2 GLU A 54 0.895 -8.470 1.425 1.00 50.35 H new ATOM 0 HB3 GLU A 54 0.882 -7.241 0.176 1.00 50.35 H new ATOM 0 HG2 GLU A 54 1.911 -8.609 -1.290 1.00 45.33 H new ATOM 0 HG3 GLU A 54 3.213 -8.947 -0.167 1.00 45.33 H new ATOM 770 N ALA A 55 3.465 -8.587 3.172 1.00 31.31 N ATOM 771 CA ALA A 55 4.400 -9.477 3.809 1.00 52.44 C ATOM 772 C ALA A 55 3.597 -10.470 4.623 1.00 65.35 C ATOM 773 O ALA A 55 2.443 -10.191 4.970 1.00 73.05 O ATOM 774 CB ALA A 55 5.311 -8.664 4.724 1.00 12.13 C ATOM 0 H ALA A 55 2.566 -8.542 3.652 1.00 31.31 H new ATOM 0 HA ALA A 55 5.015 -10.000 3.076 1.00 52.44 H new ATOM 0 HB1 ALA A 55 6.024 -9.329 5.212 1.00 12.13 H new ATOM 0 HB2 ALA A 55 5.851 -7.923 4.135 1.00 12.13 H new ATOM 0 HB3 ALA A 55 4.710 -8.159 5.480 1.00 12.13 H new ATOM 780 N THR A 56 4.220 -11.589 4.980 1.00 32.33 N ATOM 781 CA THR A 56 3.587 -12.593 5.819 1.00 14.14 C ATOM 782 C THR A 56 4.618 -13.171 6.772 1.00 63.32 C ATOM 783 O THR A 56 5.728 -13.512 6.355 1.00 11.33 O ATOM 784 CB THR A 56 2.885 -13.685 4.989 1.00 41.22 C ATOM 785 OG1 THR A 56 3.079 -13.527 3.591 1.00 32.40 O ATOM 786 CG2 THR A 56 1.382 -13.657 5.278 1.00 63.01 C ATOM 0 H THR A 56 5.172 -11.822 4.696 1.00 32.33 H new ATOM 0 HA THR A 56 2.799 -12.116 6.403 1.00 14.14 H new ATOM 0 HB THR A 56 3.328 -14.637 5.281 1.00 41.22 H new ATOM 0 HG1 THR A 56 2.615 -14.246 3.113 1.00 32.40 H new ATOM 0 HG21 THR A 56 0.884 -14.429 4.691 1.00 63.01 H new ATOM 0 HG22 THR A 56 1.212 -13.841 6.339 1.00 63.01 H new ATOM 0 HG23 THR A 56 0.978 -12.681 5.010 1.00 63.01 H new ATOM 794 N ARG A 57 4.283 -13.230 8.061 1.00 44.34 N ATOM 795 CA ARG A 57 5.144 -13.845 9.062 1.00 14.10 C ATOM 796 C ARG A 57 5.041 -15.360 8.938 1.00 5.24 C ATOM 797 O ARG A 57 4.151 -15.879 8.251 1.00 2.51 O ATOM 798 CB ARG A 57 4.750 -13.408 10.475 1.00 3.24 C ATOM 799 CG ARG A 57 4.699 -11.894 10.745 1.00 1.11 C ATOM 800 CD ARG A 57 4.442 -11.634 12.235 1.00 62.34 C ATOM 801 NE ARG A 57 3.855 -10.307 12.491 1.00 73.41 N ATOM 802 CZ ARG A 57 4.330 -9.387 13.337 1.00 13.10 C ATOM 803 NH1 ARG A 57 5.601 -9.400 13.724 1.00 70.41 N ATOM 804 NH2 ARG A 57 3.502 -8.465 13.801 1.00 10.34 N ATOM 0 H ARG A 57 3.412 -12.854 8.436 1.00 44.34 H new ATOM 0 HA ARG A 57 6.171 -13.524 8.889 1.00 14.10 H new ATOM 0 HB2 ARG A 57 3.768 -13.826 10.698 1.00 3.24 H new ATOM 0 HB3 ARG A 57 5.454 -13.855 11.177 1.00 3.24 H new ATOM 0 HG2 ARG A 57 5.639 -11.431 10.444 1.00 1.11 H new ATOM 0 HG3 ARG A 57 3.911 -11.436 10.147 1.00 1.11 H new ATOM 0 HD2 ARG A 57 3.774 -12.403 12.623 1.00 62.34 H new ATOM 0 HD3 ARG A 57 5.381 -11.722 12.782 1.00 62.34 H new ATOM 0 HE ARG A 57 3.008 -10.068 11.975 1.00 73.41 H new ATOM 0 HH11 ARG A 57 6.233 -10.120 13.375 1.00 70.41 H new ATOM 0 HH12 ARG A 57 5.945 -8.689 14.370 1.00 70.41 H new ATOM 0 HH21 ARG A 57 2.524 -8.466 13.512 1.00 10.34 H new ATOM 0 HH22 ARG A 57 3.842 -7.753 14.448 1.00 10.34 H new ATOM 815 N GLY A 58 5.867 -16.087 9.685 1.00 1.20 N ATOM 816 CA GLY A 58 5.857 -17.539 9.677 1.00 62.03 C ATOM 817 C GLY A 58 4.620 -18.176 10.303 1.00 42.53 C ATOM 818 O GLY A 58 4.533 -19.406 10.285 1.00 70.12 O ATOM 0 H GLY A 58 6.561 -15.681 10.312 1.00 1.20 H new ATOM 0 HA2 GLY A 58 5.943 -17.883 8.646 1.00 62.03 H new ATOM 0 HA3 GLY A 58 6.740 -17.897 10.207 1.00 62.03 H new ATOM 822 N ASP A 59 3.666 -17.404 10.838 1.00 2.51 N ATOM 823 CA ASP A 59 2.378 -17.936 11.285 1.00 50.35 C ATOM 824 C ASP A 59 1.186 -17.369 10.514 1.00 70.01 C ATOM 825 O ASP A 59 0.037 -17.544 10.914 1.00 5.41 O ATOM 826 CB ASP A 59 2.231 -17.853 12.810 1.00 71.03 C ATOM 827 CG ASP A 59 1.527 -19.097 13.332 1.00 44.22 C ATOM 828 OD1 ASP A 59 2.044 -20.214 13.072 1.00 14.34 O ATOM 829 OD2 ASP A 59 0.478 -18.996 14.005 1.00 72.13 O ATOM 0 H ASP A 59 3.767 -16.398 10.972 1.00 2.51 H new ATOM 0 HA ASP A 59 2.372 -18.997 11.037 1.00 50.35 H new ATOM 0 HB2 ASP A 59 3.213 -17.759 13.274 1.00 71.03 H new ATOM 0 HB3 ASP A 59 1.664 -16.963 13.081 1.00 71.03 H new ATOM 833 N GLY A 60 1.446 -16.728 9.372 1.00 13.44 N ATOM 834 CA GLY A 60 0.410 -16.249 8.461 1.00 30.21 C ATOM 835 C GLY A 60 -0.095 -14.858 8.821 1.00 45.52 C ATOM 836 O GLY A 60 -1.107 -14.415 8.276 1.00 25.04 O ATOM 0 H GLY A 60 2.393 -16.526 9.053 1.00 13.44 H new ATOM 0 HA2 GLY A 60 0.804 -16.236 7.445 1.00 30.21 H new ATOM 0 HA3 GLY A 60 -0.426 -16.948 8.470 1.00 30.21 H new ATOM 840 N GLU A 61 0.616 -14.148 9.699 1.00 31.00 N ATOM 841 CA GLU A 61 0.311 -12.764 10.015 1.00 4.34 C ATOM 842 C GLU A 61 0.656 -11.938 8.782 1.00 25.34 C ATOM 843 O GLU A 61 1.839 -11.827 8.457 1.00 30.00 O ATOM 844 CB GLU A 61 1.169 -12.313 11.207 1.00 2.22 C ATOM 845 CG GLU A 61 0.425 -12.265 12.529 1.00 62.12 C ATOM 846 CD GLU A 61 0.201 -13.623 13.199 1.00 63.44 C ATOM 847 OE1 GLU A 61 1.150 -14.131 13.854 1.00 44.25 O ATOM 848 OE2 GLU A 61 -0.949 -14.108 13.205 1.00 11.14 O ATOM 0 H GLU A 61 1.418 -14.522 10.207 1.00 31.00 H new ATOM 0 HA GLU A 61 -0.739 -12.640 10.280 1.00 4.34 H new ATOM 0 HB2 GLU A 61 2.018 -12.990 11.305 1.00 2.22 H new ATOM 0 HB3 GLU A 61 1.573 -11.323 10.995 1.00 2.22 H new ATOM 0 HG2 GLU A 61 0.979 -11.625 13.216 1.00 62.12 H new ATOM 0 HG3 GLU A 61 -0.544 -11.794 12.366 1.00 62.12 H new ATOM 853 N ARG A 62 -0.332 -11.387 8.075 1.00 43.54 N ATOM 854 CA ARG A 62 -0.079 -10.374 7.055 1.00 10.30 C ATOM 855 C ARG A 62 0.316 -9.083 7.756 1.00 73.23 C ATOM 856 O ARG A 62 -0.307 -8.725 8.760 1.00 22.10 O ATOM 857 CB ARG A 62 -1.333 -10.147 6.201 1.00 43.53 C ATOM 858 CG ARG A 62 -1.099 -9.285 4.949 1.00 54.12 C ATOM 859 CD ARG A 62 -0.785 -10.097 3.692 1.00 64.05 C ATOM 860 NE ARG A 62 -1.991 -10.766 3.179 1.00 21.04 N ATOM 861 CZ ARG A 62 -2.078 -11.400 2.005 1.00 2.11 C ATOM 862 NH1 ARG A 62 -1.026 -11.526 1.216 1.00 70.23 N ATOM 863 NH2 ARG A 62 -3.231 -11.927 1.622 1.00 34.03 N ATOM 0 H ARG A 62 -1.316 -11.628 8.192 1.00 43.54 H new ATOM 0 HA ARG A 62 0.722 -10.706 6.394 1.00 10.30 H new ATOM 0 HB2 ARG A 62 -1.728 -11.115 5.893 1.00 43.53 H new ATOM 0 HB3 ARG A 62 -2.097 -9.672 6.817 1.00 43.53 H new ATOM 0 HG2 ARG A 62 -1.986 -8.678 4.766 1.00 54.12 H new ATOM 0 HG3 ARG A 62 -0.276 -8.597 5.141 1.00 54.12 H new ATOM 0 HD2 ARG A 62 -0.375 -9.441 2.924 1.00 64.05 H new ATOM 0 HD3 ARG A 62 -0.021 -10.841 3.917 1.00 64.05 H new ATOM 0 HE ARG A 62 -2.826 -10.744 3.765 1.00 21.04 H new ATOM 0 HH11 ARG A 62 -0.127 -11.136 1.499 1.00 70.23 H new ATOM 0 HH12 ARG A 62 -1.113 -12.013 0.324 1.00 70.23 H new ATOM 0 HH21 ARG A 62 -4.052 -11.849 2.222 1.00 34.03 H new ATOM 0 HH22 ARG A 62 -3.298 -12.411 0.727 1.00 34.03 H new ATOM 874 N PHE A 63 1.288 -8.365 7.211 1.00 51.41 N ATOM 875 CA PHE A 63 1.696 -7.034 7.649 1.00 14.53 C ATOM 876 C PHE A 63 2.024 -6.191 6.413 1.00 53.25 C ATOM 877 O PHE A 63 1.758 -6.605 5.277 1.00 63.14 O ATOM 878 CB PHE A 63 2.843 -7.098 8.683 1.00 32.30 C ATOM 879 CG PHE A 63 4.121 -7.822 8.287 1.00 64.32 C ATOM 880 CD1 PHE A 63 4.138 -9.232 8.328 1.00 1.41 C ATOM 881 CD2 PHE A 63 5.325 -7.120 8.010 1.00 61.43 C ATOM 882 CE1 PHE A 63 5.338 -9.920 8.077 1.00 74.05 C ATOM 883 CE2 PHE A 63 6.519 -7.827 7.791 1.00 31.34 C ATOM 884 CZ PHE A 63 6.526 -9.227 7.819 1.00 31.41 C ATOM 0 H PHE A 63 1.836 -8.705 6.421 1.00 51.41 H new ATOM 0 HA PHE A 63 0.878 -6.547 8.179 1.00 14.53 H new ATOM 0 HB2 PHE A 63 3.108 -6.075 8.952 1.00 32.30 H new ATOM 0 HB3 PHE A 63 2.455 -7.574 9.584 1.00 32.30 H new ATOM 0 HD1 PHE A 63 3.234 -9.780 8.551 1.00 1.41 H new ATOM 0 HD2 PHE A 63 5.322 -6.041 7.968 1.00 61.43 H new ATOM 0 HE1 PHE A 63 5.343 -11.000 8.083 1.00 74.05 H new ATOM 0 HE2 PHE A 63 7.435 -7.288 7.600 1.00 31.34 H new ATOM 0 HZ PHE A 63 7.443 -9.769 7.642 1.00 31.41 H new ATOM 893 N TRP A 64 2.552 -4.989 6.647 1.00 5.20 N ATOM 894 CA TRP A 64 2.898 -4.008 5.637 1.00 51.31 C ATOM 895 C TRP A 64 4.348 -3.581 5.823 1.00 13.33 C ATOM 896 O TRP A 64 4.650 -2.770 6.699 1.00 52.53 O ATOM 897 CB TRP A 64 1.924 -2.839 5.749 1.00 64.04 C ATOM 898 CG TRP A 64 0.534 -3.199 5.342 1.00 22.12 C ATOM 899 CD1 TRP A 64 -0.525 -3.371 6.157 1.00 54.24 C ATOM 900 CD2 TRP A 64 0.067 -3.541 4.013 1.00 65.01 C ATOM 901 NE1 TRP A 64 -1.650 -3.657 5.418 1.00 32.21 N ATOM 902 CE2 TRP A 64 -1.337 -3.793 4.067 1.00 73.24 C ATOM 903 CE3 TRP A 64 0.711 -3.626 2.760 1.00 30.34 C ATOM 904 CZ2 TRP A 64 -2.056 -4.108 2.897 1.00 65.14 C ATOM 905 CZ3 TRP A 64 0.003 -3.988 1.607 1.00 1.51 C ATOM 906 CH2 TRP A 64 -1.387 -4.215 1.653 1.00 44.24 C ATOM 0 H TRP A 64 2.757 -4.665 7.592 1.00 5.20 H new ATOM 0 HA TRP A 64 2.814 -4.424 4.633 1.00 51.31 H new ATOM 0 HB2 TRP A 64 1.914 -2.479 6.778 1.00 64.04 H new ATOM 0 HB3 TRP A 64 2.278 -2.017 5.127 1.00 64.04 H new ATOM 0 HD1 TRP A 64 -0.495 -3.295 7.234 1.00 54.24 H new ATOM 0 HE1 TRP A 64 -2.588 -3.756 5.807 1.00 32.21 H new ATOM 0 HE3 TRP A 64 1.766 -3.408 2.689 1.00 30.34 H new ATOM 0 HZ2 TRP A 64 -3.123 -4.269 2.949 1.00 65.14 H new ATOM 0 HZ3 TRP A 64 0.529 -4.095 0.670 1.00 1.51 H new ATOM 0 HH2 TRP A 64 -1.933 -4.466 0.755 1.00 44.24 H new ATOM 916 N MET A 65 5.246 -4.159 5.027 1.00 41.25 N ATOM 917 CA MET A 65 6.676 -3.907 5.120 1.00 5.40 C ATOM 918 C MET A 65 7.200 -2.941 4.069 1.00 3.20 C ATOM 919 O MET A 65 6.485 -2.587 3.131 1.00 31.21 O ATOM 920 CB MET A 65 7.436 -5.227 5.101 1.00 65.43 C ATOM 921 CG MET A 65 7.627 -5.868 3.718 1.00 5.14 C ATOM 922 SD MET A 65 8.449 -7.490 3.722 1.00 70.04 S ATOM 923 CE MET A 65 9.801 -7.141 4.866 1.00 51.33 C ATOM 0 H MET A 65 4.995 -4.821 4.293 1.00 41.25 H new ATOM 0 HA MET A 65 6.849 -3.405 6.072 1.00 5.40 H new ATOM 0 HB2 MET A 65 8.418 -5.065 5.545 1.00 65.43 H new ATOM 0 HB3 MET A 65 6.910 -5.937 5.740 1.00 65.43 H new ATOM 0 HG2 MET A 65 6.650 -5.975 3.247 1.00 5.14 H new ATOM 0 HG3 MET A 65 8.207 -5.186 3.096 1.00 5.14 H new ATOM 0 HE1 MET A 65 10.538 -7.943 4.814 1.00 51.33 H new ATOM 0 HE2 MET A 65 10.272 -6.196 4.595 1.00 51.33 H new ATOM 0 HE3 MET A 65 9.410 -7.073 5.881 1.00 51.33 H new ATOM 931 N GLN A 66 8.474 -2.558 4.205 1.00 4.53 N ATOM 932 CA GLN A 66 9.159 -1.626 3.329 1.00 33.10 C ATOM 933 C GLN A 66 10.342 -2.290 2.600 1.00 34.21 C ATOM 934 O GLN A 66 11.488 -2.163 3.035 1.00 50.44 O ATOM 935 CB GLN A 66 9.608 -0.373 4.100 1.00 31.32 C ATOM 936 CG GLN A 66 8.454 0.384 4.764 1.00 4.14 C ATOM 937 CD GLN A 66 8.890 1.776 5.200 1.00 65.13 C ATOM 938 OE1 GLN A 66 9.368 2.579 4.400 1.00 72.34 O ATOM 939 NE2 GLN A 66 8.722 2.117 6.462 1.00 10.42 N ATOM 0 H GLN A 66 9.069 -2.905 4.957 1.00 4.53 H new ATOM 0 HA GLN A 66 8.448 -1.313 2.565 1.00 33.10 H new ATOM 0 HB2 GLN A 66 10.327 -0.665 4.865 1.00 31.32 H new ATOM 0 HB3 GLN A 66 10.126 0.299 3.415 1.00 31.32 H new ATOM 0 HG2 GLN A 66 7.619 0.463 4.068 1.00 4.14 H new ATOM 0 HG3 GLN A 66 8.097 -0.176 5.628 1.00 4.14 H new ATOM 0 HE21 GLN A 66 8.325 1.449 7.122 1.00 10.42 H new ATOM 0 HE22 GLN A 66 8.989 3.049 6.778 1.00 10.42 H new ATOM 946 N PRO A 67 10.107 -2.958 1.455 1.00 45.23 N ATOM 947 CA PRO A 67 11.172 -3.551 0.645 1.00 4.30 C ATOM 948 C PRO A 67 11.973 -2.498 -0.131 1.00 41.42 C ATOM 949 O PRO A 67 13.088 -2.774 -0.591 1.00 12.44 O ATOM 950 CB PRO A 67 10.454 -4.499 -0.315 1.00 12.24 C ATOM 951 CG PRO A 67 9.101 -3.819 -0.518 1.00 22.41 C ATOM 952 CD PRO A 67 8.810 -3.189 0.840 1.00 24.20 C ATOM 0 HA PRO A 67 11.902 -4.061 1.273 1.00 4.30 H new ATOM 0 HB2 PRO A 67 10.996 -4.609 -1.254 1.00 12.24 H new ATOM 0 HB3 PRO A 67 10.345 -5.497 0.109 1.00 12.24 H new ATOM 0 HG2 PRO A 67 9.144 -3.069 -1.307 1.00 22.41 H new ATOM 0 HG3 PRO A 67 8.330 -4.536 -0.801 1.00 22.41 H new ATOM 0 HD2 PRO A 67 8.258 -2.256 0.728 1.00 24.20 H new ATOM 0 HD3 PRO A 67 8.198 -3.849 1.454 1.00 24.20 H new ATOM 957 N VAL A 68 11.422 -1.292 -0.310 1.00 54.23 N ATOM 958 CA VAL A 68 12.155 -0.189 -0.904 1.00 12.10 C ATOM 959 C VAL A 68 13.056 0.418 0.164 1.00 62.32 C ATOM 960 O VAL A 68 12.686 1.327 0.907 1.00 43.11 O ATOM 961 CB VAL A 68 11.243 0.834 -1.592 1.00 71.34 C ATOM 962 CG1 VAL A 68 12.114 1.968 -2.152 1.00 70.31 C ATOM 963 CG2 VAL A 68 10.507 0.164 -2.746 1.00 13.50 C ATOM 0 H VAL A 68 10.463 -1.063 -0.047 1.00 54.23 H new ATOM 0 HA VAL A 68 12.779 -0.564 -1.716 1.00 12.10 H new ATOM 0 HB VAL A 68 10.521 1.226 -0.876 1.00 71.34 H new ATOM 0 HG11 VAL A 68 11.480 2.705 -2.645 1.00 70.31 H new ATOM 0 HG12 VAL A 68 12.658 2.445 -1.337 1.00 70.31 H new ATOM 0 HG13 VAL A 68 12.823 1.560 -2.872 1.00 70.31 H new ATOM 0 HG21 VAL A 68 9.859 0.891 -3.235 1.00 13.50 H new ATOM 0 HG22 VAL A 68 11.231 -0.219 -3.466 1.00 13.50 H new ATOM 0 HG23 VAL A 68 9.905 -0.660 -2.364 1.00 13.50 H new ATOM 973 N ARG A 69 14.282 -0.088 0.184 1.00 5.52 N ATOM 974 CA ARG A 69 15.407 0.348 0.990 1.00 32.42 C ATOM 975 C ARG A 69 15.997 1.685 0.489 1.00 54.53 C ATOM 976 O ARG A 69 17.213 1.875 0.463 1.00 70.42 O ATOM 977 CB ARG A 69 16.380 -0.841 0.962 1.00 71.34 C ATOM 978 CG ARG A 69 17.517 -0.742 1.982 1.00 32.03 C ATOM 979 CD ARG A 69 18.845 -0.650 1.238 1.00 30.40 C ATOM 980 NE ARG A 69 19.942 -0.432 2.179 1.00 61.22 N ATOM 981 CZ ARG A 69 21.125 0.108 1.895 1.00 51.21 C ATOM 982 NH1 ARG A 69 21.435 0.486 0.660 1.00 42.55 N ATOM 983 NH2 ARG A 69 22.006 0.303 2.860 1.00 22.01 N ATOM 0 H ARG A 69 14.532 -0.877 -0.412 1.00 5.52 H new ATOM 0 HA ARG A 69 15.133 0.587 2.017 1.00 32.42 H new ATOM 0 HB2 ARG A 69 15.821 -1.759 1.145 1.00 71.34 H new ATOM 0 HB3 ARG A 69 16.808 -0.923 -0.037 1.00 71.34 H new ATOM 0 HG2 ARG A 69 17.379 0.134 2.616 1.00 32.03 H new ATOM 0 HG3 ARG A 69 17.512 -1.613 2.637 1.00 32.03 H new ATOM 0 HD2 ARG A 69 19.018 -1.567 0.674 1.00 30.40 H new ATOM 0 HD3 ARG A 69 18.809 0.166 0.516 1.00 30.40 H new ATOM 0 HE ARG A 69 19.786 -0.721 3.145 1.00 61.22 H new ATOM 0 HH11 ARG A 69 20.760 0.365 -0.095 1.00 42.55 H new ATOM 0 HH12 ARG A 69 22.348 0.898 0.467 1.00 42.55 H new ATOM 0 HH21 ARG A 69 21.779 0.040 3.819 1.00 22.01 H new ATOM 0 HH22 ARG A 69 22.914 0.717 2.646 1.00 22.01 H new ATOM 994 N SER A 70 15.165 2.597 -0.006 1.00 65.21 N ATOM 995 CA SER A 70 15.575 3.874 -0.573 1.00 64.23 C ATOM 996 C SER A 70 14.450 4.891 -0.423 1.00 5.23 C ATOM 997 O SER A 70 13.362 4.699 -0.950 1.00 51.51 O ATOM 998 CB SER A 70 15.917 3.679 -2.050 1.00 73.12 C ATOM 999 OG SER A 70 16.664 4.789 -2.506 1.00 41.32 O ATOM 0 H SER A 70 14.154 2.461 -0.023 1.00 65.21 H new ATOM 0 HA SER A 70 16.453 4.246 -0.045 1.00 64.23 H new ATOM 0 HB2 SER A 70 16.489 2.761 -2.185 1.00 73.12 H new ATOM 0 HB3 SER A 70 15.004 3.575 -2.636 1.00 73.12 H new ATOM 0 HG SER A 70 17.087 4.569 -3.362 1.00 41.32 H new ATOM 1004 N THR A 71 14.691 6.000 0.266 1.00 42.53 N ATOM 1005 CA THR A 71 13.688 7.057 0.411 1.00 51.52 C ATOM 1006 C THR A 71 13.622 8.001 -0.808 1.00 3.33 C ATOM 1007 O THR A 71 12.935 9.021 -0.752 1.00 52.51 O ATOM 1008 CB THR A 71 13.935 7.796 1.736 1.00 52.51 C ATOM 1009 OG1 THR A 71 15.283 8.227 1.844 1.00 11.40 O ATOM 1010 CG2 THR A 71 13.640 6.890 2.937 1.00 44.51 C ATOM 0 H THR A 71 15.575 6.194 0.736 1.00 42.53 H new ATOM 0 HA THR A 71 12.699 6.600 0.444 1.00 51.52 H new ATOM 0 HB THR A 71 13.266 8.657 1.739 1.00 52.51 H new ATOM 0 HG1 THR A 71 15.410 8.695 2.696 1.00 11.40 H new ATOM 0 HG21 THR A 71 13.823 7.439 3.861 1.00 44.51 H new ATOM 0 HG22 THR A 71 12.598 6.571 2.905 1.00 44.51 H new ATOM 0 HG23 THR A 71 14.289 6.015 2.900 1.00 44.51 H new ATOM 1018 N PHE A 72 14.347 7.716 -1.896 1.00 62.24 N ATOM 1019 CA PHE A 72 14.283 8.502 -3.122 1.00 30.24 C ATOM 1020 C PHE A 72 12.959 8.243 -3.829 1.00 30.23 C ATOM 1021 O PHE A 72 12.642 7.100 -4.134 1.00 31.34 O ATOM 1022 CB PHE A 72 15.451 8.154 -4.058 1.00 70.04 C ATOM 1023 CG PHE A 72 16.716 8.930 -3.773 1.00 44.13 C ATOM 1024 CD1 PHE A 72 16.714 10.328 -3.917 1.00 65.12 C ATOM 1025 CD2 PHE A 72 17.894 8.269 -3.378 1.00 70.21 C ATOM 1026 CE1 PHE A 72 17.860 11.069 -3.601 1.00 71.15 C ATOM 1027 CE2 PHE A 72 19.045 9.014 -3.063 1.00 34.31 C ATOM 1028 CZ PHE A 72 19.018 10.418 -3.149 1.00 22.14 C ATOM 0 H PHE A 72 14.995 6.930 -1.946 1.00 62.24 H new ATOM 0 HA PHE A 72 14.357 9.557 -2.860 1.00 30.24 H new ATOM 0 HB2 PHE A 72 15.664 7.088 -3.976 1.00 70.04 H new ATOM 0 HB3 PHE A 72 15.146 8.340 -5.088 1.00 70.04 H new ATOM 0 HD1 PHE A 72 15.827 10.832 -4.272 1.00 65.12 H new ATOM 0 HD2 PHE A 72 17.914 7.191 -3.317 1.00 70.21 H new ATOM 0 HE1 PHE A 72 17.852 12.144 -3.705 1.00 71.15 H new ATOM 0 HE2 PHE A 72 19.949 8.509 -2.755 1.00 34.31 H new ATOM 0 HZ PHE A 72 19.887 10.994 -2.868 1.00 22.14 H new ATOM 1037 N GLU A 73 12.226 9.309 -4.147 1.00 5.32 N ATOM 1038 CA GLU A 73 10.996 9.267 -4.939 1.00 63.25 C ATOM 1039 C GLU A 73 11.108 8.386 -6.204 1.00 12.20 C ATOM 1040 O GLU A 73 10.296 7.471 -6.350 1.00 51.52 O ATOM 1041 CB GLU A 73 10.530 10.705 -5.236 1.00 23.33 C ATOM 1042 CG GLU A 73 9.064 10.928 -4.854 1.00 5.23 C ATOM 1043 CD GLU A 73 8.112 9.954 -5.554 1.00 72.34 C ATOM 1044 OE1 GLU A 73 8.131 9.903 -6.806 1.00 51.41 O ATOM 1045 OE2 GLU A 73 7.372 9.229 -4.853 1.00 33.43 O ATOM 0 H GLU A 73 12.478 10.253 -3.853 1.00 5.32 H new ATOM 0 HA GLU A 73 10.226 8.773 -4.346 1.00 63.25 H new ATOM 0 HB2 GLU A 73 11.157 11.409 -4.689 1.00 23.33 H new ATOM 0 HB3 GLU A 73 10.664 10.917 -6.297 1.00 23.33 H new ATOM 0 HG2 GLU A 73 8.955 10.823 -3.775 1.00 5.23 H new ATOM 0 HG3 GLU A 73 8.780 11.950 -5.105 1.00 5.23 H new ATOM 1050 N PRO A 74 12.108 8.563 -7.094 1.00 1.32 N ATOM 1051 CA PRO A 74 12.229 7.711 -8.276 1.00 23.30 C ATOM 1052 C PRO A 74 12.526 6.245 -7.951 1.00 4.33 C ATOM 1053 O PRO A 74 12.140 5.365 -8.721 1.00 52.44 O ATOM 1054 CB PRO A 74 13.351 8.311 -9.120 1.00 30.32 C ATOM 1055 CG PRO A 74 14.161 9.142 -8.126 1.00 62.11 C ATOM 1056 CD PRO A 74 13.105 9.623 -7.136 1.00 30.21 C ATOM 0 HA PRO A 74 11.275 7.691 -8.803 1.00 23.30 H new ATOM 0 HB2 PRO A 74 13.962 7.535 -9.581 1.00 30.32 H new ATOM 0 HB3 PRO A 74 12.956 8.928 -9.927 1.00 30.32 H new ATOM 0 HG2 PRO A 74 14.931 8.546 -7.636 1.00 62.11 H new ATOM 0 HG3 PRO A 74 14.665 9.976 -8.614 1.00 62.11 H new ATOM 0 HD2 PRO A 74 13.539 9.795 -6.151 1.00 30.21 H new ATOM 0 HD3 PRO A 74 12.664 10.566 -7.459 1.00 30.21 H new ATOM 1061 N ASP A 75 13.200 5.957 -6.840 1.00 61.02 N ATOM 1062 CA ASP A 75 13.491 4.589 -6.417 1.00 3.43 C ATOM 1063 C ASP A 75 12.216 3.951 -5.861 1.00 51.51 C ATOM 1064 O ASP A 75 12.094 2.723 -5.835 1.00 23.41 O ATOM 1065 CB ASP A 75 14.559 4.537 -5.309 1.00 12.34 C ATOM 1066 CG ASP A 75 15.954 5.034 -5.684 1.00 2.41 C ATOM 1067 OD1 ASP A 75 16.093 5.949 -6.516 1.00 23.12 O ATOM 1068 OD2 ASP A 75 16.915 4.577 -5.015 1.00 23.44 O ATOM 0 H ASP A 75 13.561 6.669 -6.205 1.00 61.02 H new ATOM 0 HA ASP A 75 13.864 4.054 -7.291 1.00 3.43 H new ATOM 0 HB2 ASP A 75 14.203 5.126 -4.464 1.00 12.34 H new ATOM 0 HB3 ASP A 75 14.645 3.506 -4.966 1.00 12.34 H new ATOM 1072 N LEU A 76 11.271 4.774 -5.394 1.00 30.13 N ATOM 1073 CA LEU A 76 10.012 4.347 -4.826 1.00 52.52 C ATOM 1074 C LEU A 76 9.078 4.012 -5.984 1.00 12.23 C ATOM 1075 O LEU A 76 8.716 2.851 -6.152 1.00 52.34 O ATOM 1076 CB LEU A 76 9.450 5.403 -3.843 1.00 54.54 C ATOM 1077 CG LEU A 76 10.258 5.555 -2.526 1.00 3.52 C ATOM 1078 CD1 LEU A 76 10.046 6.920 -1.863 1.00 13.42 C ATOM 1079 CD2 LEU A 76 9.860 4.531 -1.465 1.00 45.55 C ATOM 0 H LEU A 76 11.377 5.788 -5.407 1.00 30.13 H new ATOM 0 HA LEU A 76 10.135 3.453 -4.215 1.00 52.52 H new ATOM 0 HB2 LEU A 76 9.418 6.369 -4.347 1.00 54.54 H new ATOM 0 HB3 LEU A 76 8.422 5.138 -3.595 1.00 54.54 H new ATOM 0 HG LEU A 76 11.293 5.417 -2.840 1.00 3.52 H new ATOM 0 HD11 LEU A 76 10.633 6.974 -0.946 1.00 13.42 H new ATOM 0 HD12 LEU A 76 10.364 7.709 -2.545 1.00 13.42 H new ATOM 0 HD13 LEU A 76 8.990 7.049 -1.626 1.00 13.42 H new ATOM 0 HD21 LEU A 76 10.458 4.686 -0.567 1.00 45.55 H new ATOM 0 HD22 LEU A 76 8.804 4.650 -1.223 1.00 45.55 H new ATOM 0 HD23 LEU A 76 10.033 3.525 -1.847 1.00 45.55 H new ATOM 1090 N ASP A 77 8.680 4.971 -6.821 1.00 21.40 N ATOM 1091 CA ASP A 77 7.648 4.696 -7.835 1.00 2.11 C ATOM 1092 C ASP A 77 8.071 3.640 -8.854 1.00 45.44 C ATOM 1093 O ASP A 77 7.270 2.773 -9.217 1.00 10.53 O ATOM 1094 CB ASP A 77 7.228 5.965 -8.566 1.00 54.31 C ATOM 1095 CG ASP A 77 5.768 5.802 -8.978 1.00 32.01 C ATOM 1096 OD1 ASP A 77 4.921 5.872 -8.068 1.00 44.25 O ATOM 1097 OD2 ASP A 77 5.472 5.545 -10.164 1.00 5.10 O ATOM 0 H ASP A 77 9.043 5.924 -6.823 1.00 21.40 H new ATOM 0 HA ASP A 77 6.798 4.299 -7.280 1.00 2.11 H new ATOM 0 HB2 ASP A 77 7.348 6.835 -7.921 1.00 54.31 H new ATOM 0 HB3 ASP A 77 7.856 6.128 -9.442 1.00 54.31 H new ATOM 1101 N ALA A 78 9.352 3.633 -9.232 1.00 34.03 N ATOM 1102 CA ALA A 78 9.916 2.624 -10.115 1.00 30.04 C ATOM 1103 C ALA A 78 9.786 1.210 -9.555 1.00 42.55 C ATOM 1104 O ALA A 78 9.761 0.256 -10.339 1.00 21.01 O ATOM 1105 CB ALA A 78 11.394 2.915 -10.332 1.00 44.31 C ATOM 0 H ALA A 78 10.027 4.335 -8.928 1.00 34.03 H new ATOM 0 HA ALA A 78 9.356 2.671 -11.049 1.00 30.04 H new ATOM 0 HB1 ALA A 78 11.820 2.161 -10.993 1.00 44.31 H new ATOM 0 HB2 ALA A 78 11.508 3.900 -10.784 1.00 44.31 H new ATOM 0 HB3 ALA A 78 11.914 2.893 -9.374 1.00 44.31 H new ATOM 1111 N TYR A 79 9.703 1.066 -8.229 1.00 64.02 N ATOM 1112 CA TYR A 79 9.503 -0.217 -7.587 1.00 34.31 C ATOM 1113 C TYR A 79 8.225 -0.854 -8.114 1.00 31.24 C ATOM 1114 O TYR A 79 8.255 -1.994 -8.566 1.00 13.14 O ATOM 1115 CB TYR A 79 9.415 -0.074 -6.069 1.00 72.44 C ATOM 1116 CG TYR A 79 9.532 -1.409 -5.390 1.00 41.32 C ATOM 1117 CD1 TYR A 79 10.789 -2.023 -5.241 1.00 45.21 C ATOM 1118 CD2 TYR A 79 8.363 -2.054 -4.967 1.00 5.14 C ATOM 1119 CE1 TYR A 79 10.874 -3.289 -4.642 1.00 41.41 C ATOM 1120 CE2 TYR A 79 8.434 -3.356 -4.453 1.00 64.11 C ATOM 1121 CZ TYR A 79 9.696 -3.968 -4.262 1.00 53.55 C ATOM 1122 OH TYR A 79 9.814 -5.230 -3.777 1.00 65.31 O ATOM 0 H TYR A 79 9.774 1.846 -7.576 1.00 64.02 H new ATOM 0 HA TYR A 79 10.360 -0.850 -7.818 1.00 34.31 H new ATOM 0 HB2 TYR A 79 10.207 0.587 -5.717 1.00 72.44 H new ATOM 0 HB3 TYR A 79 8.467 0.392 -5.799 1.00 72.44 H new ATOM 0 HD1 TYR A 79 11.682 -1.523 -5.585 1.00 45.21 H new ATOM 0 HD2 TYR A 79 7.410 -1.550 -5.037 1.00 5.14 H new ATOM 0 HE1 TYR A 79 11.839 -3.743 -4.472 1.00 41.41 H new ATOM 0 HE2 TYR A 79 7.529 -3.890 -4.204 1.00 64.11 H new ATOM 0 HH TYR A 79 8.926 -5.579 -3.553 1.00 65.31 H new ATOM 1131 N ALA A 80 7.117 -0.111 -8.097 1.00 44.42 N ATOM 1132 CA ALA A 80 5.836 -0.592 -8.576 1.00 54.11 C ATOM 1133 C ALA A 80 5.873 -0.876 -10.072 1.00 53.55 C ATOM 1134 O ALA A 80 5.297 -1.873 -10.495 1.00 72.05 O ATOM 1135 CB ALA A 80 4.739 0.422 -8.245 1.00 22.02 C ATOM 0 H ALA A 80 7.091 0.847 -7.747 1.00 44.42 H new ATOM 0 HA ALA A 80 5.614 -1.531 -8.070 1.00 54.11 H new ATOM 0 HB1 ALA A 80 3.780 0.052 -8.609 1.00 22.02 H new ATOM 0 HB2 ALA A 80 4.688 0.563 -7.165 1.00 22.02 H new ATOM 0 HB3 ALA A 80 4.967 1.374 -8.725 1.00 22.02 H new ATOM 1141 N GLU A 81 6.589 -0.077 -10.872 1.00 32.00 N ATOM 1142 CA GLU A 81 6.665 -0.294 -12.310 1.00 33.23 C ATOM 1143 C GLU A 81 7.287 -1.665 -12.548 1.00 41.25 C ATOM 1144 O GLU A 81 6.886 -2.401 -13.457 1.00 21.44 O ATOM 1145 CB GLU A 81 7.520 0.783 -13.001 1.00 73.32 C ATOM 1146 CG GLU A 81 6.923 2.195 -12.961 1.00 43.51 C ATOM 1147 CD GLU A 81 7.821 3.253 -13.623 1.00 33.12 C ATOM 1148 OE1 GLU A 81 8.793 2.917 -14.342 1.00 54.44 O ATOM 1149 OE2 GLU A 81 7.640 4.461 -13.359 1.00 53.14 O ATOM 0 H GLU A 81 7.123 0.726 -10.541 1.00 32.00 H new ATOM 0 HA GLU A 81 5.661 -0.238 -12.731 1.00 33.23 H new ATOM 0 HB2 GLU A 81 8.503 0.805 -12.531 1.00 73.32 H new ATOM 0 HB3 GLU A 81 7.671 0.496 -14.042 1.00 73.32 H new ATOM 0 HG2 GLU A 81 5.954 2.187 -13.460 1.00 43.51 H new ATOM 0 HG3 GLU A 81 6.745 2.477 -11.923 1.00 43.51 H new ATOM 1154 N ARG A 82 8.272 -2.014 -11.715 1.00 12.33 N ATOM 1155 CA ARG A 82 8.950 -3.281 -11.796 1.00 64.25 C ATOM 1156 C ARG A 82 8.081 -4.399 -11.225 1.00 30.13 C ATOM 1157 O ARG A 82 7.760 -5.337 -11.942 1.00 2.31 O ATOM 1158 CB ARG A 82 10.329 -3.155 -11.133 1.00 41.53 C ATOM 1159 CG ARG A 82 11.109 -4.471 -11.139 1.00 63.23 C ATOM 1160 CD ARG A 82 12.523 -4.238 -10.595 1.00 61.43 C ATOM 1161 NE ARG A 82 13.078 -5.477 -10.039 1.00 73.02 N ATOM 1162 CZ ARG A 82 13.538 -6.528 -10.719 1.00 11.22 C ATOM 1163 NH1 ARG A 82 13.696 -6.494 -12.041 1.00 44.45 N ATOM 1164 NH2 ARG A 82 13.816 -7.633 -10.047 1.00 70.21 N ATOM 0 H ARG A 82 8.613 -1.411 -10.966 1.00 12.33 H new ATOM 0 HA ARG A 82 9.121 -3.559 -12.836 1.00 64.25 H new ATOM 0 HB2 ARG A 82 10.909 -2.391 -11.652 1.00 41.53 H new ATOM 0 HB3 ARG A 82 10.204 -2.816 -10.105 1.00 41.53 H new ATOM 0 HG2 ARG A 82 10.593 -5.213 -10.530 1.00 63.23 H new ATOM 0 HG3 ARG A 82 11.160 -4.870 -12.152 1.00 63.23 H new ATOM 0 HD2 ARG A 82 13.169 -3.871 -11.393 1.00 61.43 H new ATOM 0 HD3 ARG A 82 12.499 -3.467 -9.825 1.00 61.43 H new ATOM 0 HE ARG A 82 13.116 -5.542 -9.022 1.00 73.02 H new ATOM 0 HH11 ARG A 82 13.463 -5.648 -12.561 1.00 44.45 H new ATOM 0 HH12 ARG A 82 14.050 -7.314 -12.534 1.00 44.45 H new ATOM 0 HH21 ARG A 82 13.677 -7.664 -9.037 1.00 70.21 H new ATOM 0 HH22 ARG A 82 14.169 -8.454 -10.539 1.00 70.21 H new ATOM 1175 N ALA A 83 7.685 -4.326 -9.957 1.00 52.44 N ATOM 1176 CA ALA A 83 6.961 -5.385 -9.263 1.00 4.34 C ATOM 1177 C ALA A 83 5.699 -5.771 -10.039 1.00 2.40 C ATOM 1178 O ALA A 83 5.396 -6.957 -10.212 1.00 74.45 O ATOM 1179 CB ALA A 83 6.605 -4.911 -7.847 1.00 71.31 C ATOM 0 H ALA A 83 7.863 -3.510 -9.371 1.00 52.44 H new ATOM 0 HA ALA A 83 7.594 -6.270 -9.195 1.00 4.34 H new ATOM 0 HB1 ALA A 83 6.064 -5.700 -7.325 1.00 71.31 H new ATOM 0 HB2 ALA A 83 7.519 -4.676 -7.302 1.00 71.31 H new ATOM 0 HB3 ALA A 83 5.979 -4.021 -7.908 1.00 71.31 H new ATOM 1185 N ALA A 84 5.007 -4.757 -10.565 1.00 65.22 N ATOM 1186 CA ALA A 84 3.752 -4.872 -11.286 1.00 42.21 C ATOM 1187 C ALA A 84 3.947 -5.214 -12.768 1.00 41.24 C ATOM 1188 O ALA A 84 3.069 -4.919 -13.584 1.00 4.24 O ATOM 1189 CB ALA A 84 2.926 -3.597 -11.076 1.00 1.11 C ATOM 0 H ALA A 84 5.328 -3.791 -10.492 1.00 65.22 H new ATOM 0 HA ALA A 84 3.196 -5.716 -10.877 1.00 42.21 H new ATOM 0 HB1 ALA A 84 1.983 -3.681 -11.617 1.00 1.11 H new ATOM 0 HB2 ALA A 84 2.724 -3.465 -10.013 1.00 1.11 H new ATOM 0 HB3 ALA A 84 3.483 -2.737 -11.449 1.00 1.11 H new ATOM 1195 N ARG A 85 5.097 -5.788 -13.140 1.00 71.05 N ATOM 1196 CA ARG A 85 5.318 -6.427 -14.440 1.00 42.55 C ATOM 1197 C ARG A 85 5.674 -7.915 -14.272 1.00 64.43 C ATOM 1198 O ARG A 85 5.858 -8.626 -15.264 1.00 4.21 O ATOM 1199 CB ARG A 85 6.361 -5.614 -15.238 1.00 51.41 C ATOM 1200 CG ARG A 85 7.781 -6.158 -15.100 1.00 54.33 C ATOM 1201 CD ARG A 85 8.844 -5.316 -15.802 1.00 32.30 C ATOM 1202 NE ARG A 85 9.961 -6.153 -16.261 1.00 21.23 N ATOM 1203 CZ ARG A 85 9.870 -7.083 -17.216 1.00 25.31 C ATOM 1204 NH1 ARG A 85 8.754 -7.215 -17.936 1.00 31.14 N ATOM 1205 NH2 ARG A 85 10.890 -7.897 -17.428 1.00 62.04 N ATOM 0 H ARG A 85 5.916 -5.821 -12.533 1.00 71.05 H new ATOM 0 HA ARG A 85 4.398 -6.422 -15.024 1.00 42.55 H new ATOM 0 HB2 ARG A 85 6.081 -5.611 -16.291 1.00 51.41 H new ATOM 0 HB3 ARG A 85 6.341 -4.578 -14.899 1.00 51.41 H new ATOM 0 HG2 ARG A 85 8.030 -6.228 -14.041 1.00 54.33 H new ATOM 0 HG3 ARG A 85 7.811 -7.171 -15.503 1.00 54.33 H new ATOM 0 HD2 ARG A 85 8.400 -4.798 -16.652 1.00 32.30 H new ATOM 0 HD3 ARG A 85 9.215 -4.550 -15.121 1.00 32.30 H new ATOM 0 HE ARG A 85 10.870 -6.014 -15.819 1.00 21.23 H new ATOM 0 HH11 ARG A 85 7.958 -6.602 -17.760 1.00 31.14 H new ATOM 0 HH12 ARG A 85 8.697 -7.929 -18.662 1.00 31.14 H new ATOM 0 HH21 ARG A 85 11.736 -7.812 -16.865 1.00 62.04 H new ATOM 0 HH22 ARG A 85 10.831 -8.610 -18.155 1.00 62.04 H new ATOM 1216 N ILE A 86 5.878 -8.379 -13.034 1.00 25.44 N ATOM 1217 CA ILE A 86 6.450 -9.691 -12.730 1.00 10.23 C ATOM 1218 C ILE A 86 5.422 -10.535 -11.988 1.00 52.45 C ATOM 1219 O ILE A 86 5.353 -11.744 -12.228 1.00 13.11 O ATOM 1220 CB ILE A 86 7.803 -9.514 -11.993 1.00 64.21 C ATOM 1221 CG1 ILE A 86 8.884 -9.006 -12.977 1.00 54.53 C ATOM 1222 CG2 ILE A 86 8.320 -10.807 -11.335 1.00 41.33 C ATOM 1223 CD1 ILE A 86 9.901 -8.069 -12.319 1.00 51.35 C ATOM 0 H ILE A 86 5.645 -7.840 -12.200 1.00 25.44 H new ATOM 0 HA ILE A 86 6.684 -10.242 -13.641 1.00 10.23 H new ATOM 0 HB ILE A 86 7.616 -8.789 -11.201 1.00 64.21 H new ATOM 0 HG12 ILE A 86 9.409 -9.861 -13.404 1.00 54.53 H new ATOM 0 HG13 ILE A 86 8.399 -8.485 -13.803 1.00 54.53 H new ATOM 0 HG21 ILE A 86 9.270 -10.608 -10.838 1.00 41.33 H new ATOM 0 HG22 ILE A 86 7.594 -11.158 -10.602 1.00 41.33 H new ATOM 0 HG23 ILE A 86 8.463 -11.572 -12.098 1.00 41.33 H new ATOM 0 HD11 ILE A 86 10.632 -7.747 -13.061 1.00 51.35 H new ATOM 0 HD12 ILE A 86 9.385 -7.197 -11.916 1.00 51.35 H new ATOM 0 HD13 ILE A 86 10.410 -8.594 -11.511 1.00 51.35 H new ATOM 1234 N ASP A 87 4.602 -9.930 -11.129 1.00 62.41 N ATOM 1235 CA ASP A 87 3.550 -10.649 -10.418 1.00 11.40 C ATOM 1236 C ASP A 87 2.434 -11.027 -11.394 1.00 50.35 C ATOM 1237 O ASP A 87 2.247 -10.345 -12.410 1.00 42.33 O ATOM 1238 CB ASP A 87 3.015 -9.797 -9.256 1.00 25.22 C ATOM 1239 CG ASP A 87 3.363 -10.421 -7.907 1.00 72.13 C ATOM 1240 OD1 ASP A 87 4.560 -10.695 -7.663 1.00 51.35 O ATOM 1241 OD2 ASP A 87 2.440 -10.677 -7.101 1.00 13.11 O ATOM 0 H ASP A 87 4.649 -8.935 -10.909 1.00 62.41 H new ATOM 0 HA ASP A 87 3.959 -11.566 -9.995 1.00 11.40 H new ATOM 0 HB2 ASP A 87 3.435 -8.793 -9.314 1.00 25.22 H new ATOM 0 HB3 ASP A 87 1.933 -9.695 -9.344 1.00 25.22 H new ATOM 1245 N PRO A 88 1.661 -12.079 -11.083 1.00 32.30 N ATOM 1246 CA PRO A 88 0.517 -12.485 -11.880 1.00 2.21 C ATOM 1247 C PRO A 88 -0.584 -11.427 -11.792 1.00 1.12 C ATOM 1248 O PRO A 88 -1.129 -11.026 -12.822 1.00 30.24 O ATOM 1249 CB PRO A 88 0.080 -13.837 -11.304 1.00 63.15 C ATOM 1250 CG PRO A 88 0.585 -13.802 -9.863 1.00 12.40 C ATOM 1251 CD PRO A 88 1.854 -12.979 -9.959 1.00 34.13 C ATOM 0 HA PRO A 88 0.751 -12.582 -12.940 1.00 2.21 H new ATOM 0 HB2 PRO A 88 -1.002 -13.958 -11.345 1.00 63.15 H new ATOM 0 HB3 PRO A 88 0.515 -14.668 -11.860 1.00 63.15 H new ATOM 0 HG2 PRO A 88 -0.142 -13.344 -9.193 1.00 12.40 H new ATOM 0 HG3 PRO A 88 0.783 -14.804 -9.482 1.00 12.40 H new ATOM 0 HD2 PRO A 88 2.029 -12.422 -9.038 1.00 34.13 H new ATOM 0 HD3 PRO A 88 2.723 -13.618 -10.115 1.00 34.13 H new ATOM 1256 N ASP A 89 -0.902 -10.951 -10.584 1.00 74.32 N ATOM 1257 CA ASP A 89 -1.989 -10.019 -10.330 1.00 74.24 C ATOM 1258 C ASP A 89 -1.726 -9.281 -9.020 1.00 43.54 C ATOM 1259 O ASP A 89 -2.235 -9.661 -7.962 1.00 10.42 O ATOM 1260 CB ASP A 89 -3.334 -10.760 -10.300 1.00 63.02 C ATOM 1261 CG ASP A 89 -4.055 -10.643 -11.639 1.00 53.13 C ATOM 1262 OD1 ASP A 89 -4.316 -9.495 -12.071 1.00 61.43 O ATOM 1263 OD2 ASP A 89 -4.306 -11.684 -12.291 1.00 65.03 O ATOM 0 H ASP A 89 -0.394 -11.214 -9.739 1.00 74.32 H new ATOM 0 HA ASP A 89 -2.039 -9.286 -11.135 1.00 74.24 H new ATOM 0 HB2 ASP A 89 -3.169 -11.811 -10.063 1.00 63.02 H new ATOM 0 HB3 ASP A 89 -3.961 -10.350 -9.509 1.00 63.02 H new ATOM 1267 N ILE A 90 -0.866 -8.268 -9.045 1.00 61.34 N ATOM 1268 CA ILE A 90 -0.594 -7.433 -7.872 1.00 2.31 C ATOM 1269 C ILE A 90 -1.534 -6.220 -7.877 1.00 1.24 C ATOM 1270 O ILE A 90 -2.023 -5.802 -8.929 1.00 54.53 O ATOM 1271 CB ILE A 90 0.909 -7.076 -7.828 1.00 42.33 C ATOM 1272 CG1 ILE A 90 1.352 -6.535 -6.455 1.00 43.53 C ATOM 1273 CG2 ILE A 90 1.301 -6.141 -8.978 1.00 32.30 C ATOM 1274 CD1 ILE A 90 2.871 -6.502 -6.255 1.00 45.35 C ATOM 0 H ILE A 90 -0.337 -8.000 -9.875 1.00 61.34 H new ATOM 0 HA ILE A 90 -0.802 -7.972 -6.947 1.00 2.31 H new ATOM 0 HB ILE A 90 1.457 -8.007 -7.972 1.00 42.33 H new ATOM 0 HG12 ILE A 90 0.958 -5.526 -6.330 1.00 43.53 H new ATOM 0 HG13 ILE A 90 0.907 -7.150 -5.673 1.00 43.53 H new ATOM 0 HG21 ILE A 90 2.365 -5.912 -8.914 1.00 32.30 H new ATOM 0 HG22 ILE A 90 1.091 -6.628 -9.930 1.00 32.30 H new ATOM 0 HG23 ILE A 90 0.726 -5.218 -8.908 1.00 32.30 H new ATOM 0 HD11 ILE A 90 3.099 -6.109 -5.264 1.00 45.35 H new ATOM 0 HD12 ILE A 90 3.272 -7.511 -6.346 1.00 45.35 H new ATOM 0 HD13 ILE A 90 3.324 -5.862 -7.012 1.00 45.35 H new ATOM 1285 N TRP A 91 -1.785 -5.648 -6.703 1.00 72.43 N ATOM 1286 CA TRP A 91 -2.556 -4.436 -6.522 1.00 34.34 C ATOM 1287 C TRP A 91 -1.608 -3.246 -6.354 1.00 3.20 C ATOM 1288 O TRP A 91 -0.433 -3.407 -6.015 1.00 2.34 O ATOM 1289 CB TRP A 91 -3.473 -4.644 -5.311 1.00 31.42 C ATOM 1290 CG TRP A 91 -4.686 -5.486 -5.538 1.00 44.25 C ATOM 1291 CD1 TRP A 91 -4.659 -6.818 -5.742 1.00 5.13 C ATOM 1292 CD2 TRP A 91 -6.098 -5.115 -5.493 1.00 65.42 C ATOM 1293 NE1 TRP A 91 -5.946 -7.286 -5.859 1.00 65.34 N ATOM 1294 CE2 TRP A 91 -6.879 -6.284 -5.721 1.00 4.34 C ATOM 1295 CE3 TRP A 91 -6.808 -3.928 -5.239 1.00 4.51 C ATOM 1296 CZ2 TRP A 91 -8.286 -6.283 -5.676 1.00 25.04 C ATOM 1297 CZ3 TRP A 91 -8.218 -3.906 -5.218 1.00 14.21 C ATOM 1298 CH2 TRP A 91 -8.959 -5.080 -5.420 1.00 22.44 C ATOM 0 H TRP A 91 -1.442 -6.035 -5.824 1.00 72.43 H new ATOM 0 HA TRP A 91 -3.177 -4.217 -7.391 1.00 34.34 H new ATOM 0 HB2 TRP A 91 -2.887 -5.097 -4.511 1.00 31.42 H new ATOM 0 HB3 TRP A 91 -3.797 -3.666 -4.955 1.00 31.42 H new ATOM 0 HD1 TRP A 91 -3.766 -7.423 -5.804 1.00 5.13 H new ATOM 0 HE1 TRP A 91 -6.182 -8.264 -6.029 1.00 65.34 H new ATOM 0 HE3 TRP A 91 -6.262 -3.014 -5.056 1.00 4.51 H new ATOM 0 HZ2 TRP A 91 -8.839 -7.196 -5.836 1.00 25.04 H new ATOM 0 HZ3 TRP A 91 -8.734 -2.973 -5.044 1.00 14.21 H new ATOM 0 HH2 TRP A 91 -10.038 -5.057 -5.379 1.00 22.44 H new ATOM 1308 N VAL A 92 -2.116 -2.042 -6.583 1.00 74.23 N ATOM 1309 CA VAL A 92 -1.417 -0.773 -6.440 1.00 51.45 C ATOM 1310 C VAL A 92 -2.485 0.153 -5.887 1.00 5.31 C ATOM 1311 O VAL A 92 -3.497 0.398 -6.555 1.00 65.42 O ATOM 1312 CB VAL A 92 -0.888 -0.239 -7.788 1.00 32.42 C ATOM 1313 CG1 VAL A 92 -0.160 1.105 -7.684 1.00 30.01 C ATOM 1314 CG2 VAL A 92 0.088 -1.176 -8.512 1.00 21.11 C ATOM 0 H VAL A 92 -3.081 -1.919 -6.891 1.00 74.23 H new ATOM 0 HA VAL A 92 -0.536 -0.861 -5.804 1.00 51.45 H new ATOM 0 HB VAL A 92 -1.815 -0.143 -8.354 1.00 32.42 H new ATOM 0 HG11 VAL A 92 0.181 1.412 -8.673 1.00 30.01 H new ATOM 0 HG12 VAL A 92 -0.840 1.857 -7.285 1.00 30.01 H new ATOM 0 HG13 VAL A 92 0.698 1.003 -7.020 1.00 30.01 H new ATOM 0 HG21 VAL A 92 0.406 -0.717 -9.448 1.00 21.11 H new ATOM 0 HG22 VAL A 92 0.959 -1.353 -7.881 1.00 21.11 H new ATOM 0 HG23 VAL A 92 -0.406 -2.124 -8.722 1.00 21.11 H new ATOM 1324 N VAL A 93 -2.277 0.653 -4.680 1.00 12.42 N ATOM 1325 CA VAL A 93 -3.108 1.680 -4.090 1.00 53.25 C ATOM 1326 C VAL A 93 -2.188 2.851 -3.790 1.00 25.13 C ATOM 1327 O VAL A 93 -1.093 2.674 -3.251 1.00 3.12 O ATOM 1328 CB VAL A 93 -3.868 1.108 -2.880 1.00 32.00 C ATOM 1329 CG1 VAL A 93 -4.510 2.207 -2.029 1.00 23.41 C ATOM 1330 CG2 VAL A 93 -4.976 0.178 -3.381 1.00 13.12 C ATOM 0 H VAL A 93 -1.513 0.349 -4.076 1.00 12.42 H new ATOM 0 HA VAL A 93 -3.897 2.037 -4.752 1.00 53.25 H new ATOM 0 HB VAL A 93 -3.147 0.573 -2.261 1.00 32.00 H new ATOM 0 HG11 VAL A 93 -5.035 1.755 -1.187 1.00 23.41 H new ATOM 0 HG12 VAL A 93 -3.736 2.878 -1.656 1.00 23.41 H new ATOM 0 HG13 VAL A 93 -5.217 2.772 -2.637 1.00 23.41 H new ATOM 0 HG21 VAL A 93 -5.520 -0.232 -2.530 1.00 13.12 H new ATOM 0 HG22 VAL A 93 -5.663 0.739 -4.014 1.00 13.12 H new ATOM 0 HG23 VAL A 93 -4.535 -0.636 -3.956 1.00 13.12 H new ATOM 1340 N GLU A 94 -2.619 4.042 -4.183 1.00 13.20 N ATOM 1341 CA GLU A 94 -1.827 5.251 -4.071 1.00 61.03 C ATOM 1342 C GLU A 94 -2.598 6.211 -3.180 1.00 62.14 C ATOM 1343 O GLU A 94 -3.788 6.434 -3.422 1.00 64.11 O ATOM 1344 CB GLU A 94 -1.536 5.828 -5.467 1.00 50.43 C ATOM 1345 CG GLU A 94 -0.932 4.787 -6.428 1.00 5.30 C ATOM 1346 CD GLU A 94 -0.242 5.454 -7.617 1.00 34.43 C ATOM 1347 OE1 GLU A 94 0.870 5.987 -7.408 1.00 64.25 O ATOM 1348 OE2 GLU A 94 -0.784 5.441 -8.748 1.00 31.32 O ATOM 0 H GLU A 94 -3.541 4.193 -4.593 1.00 13.20 H new ATOM 0 HA GLU A 94 -0.853 5.056 -3.622 1.00 61.03 H new ATOM 0 HB2 GLU A 94 -2.460 6.217 -5.894 1.00 50.43 H new ATOM 0 HB3 GLU A 94 -0.850 6.669 -5.372 1.00 50.43 H new ATOM 0 HG2 GLU A 94 -0.214 4.168 -5.890 1.00 5.30 H new ATOM 0 HG3 GLU A 94 -1.718 4.124 -6.788 1.00 5.30 H new ATOM 1353 N ILE A 95 -1.947 6.736 -2.139 1.00 41.41 N ATOM 1354 CA ILE A 95 -2.560 7.548 -1.095 1.00 44.23 C ATOM 1355 C ILE A 95 -1.786 8.876 -1.030 1.00 13.30 C ATOM 1356 O ILE A 95 -0.652 8.904 -0.539 1.00 11.43 O ATOM 1357 CB ILE A 95 -2.500 6.800 0.269 1.00 42.51 C ATOM 1358 CG1 ILE A 95 -3.007 5.339 0.260 1.00 23.01 C ATOM 1359 CG2 ILE A 95 -3.216 7.597 1.378 1.00 62.22 C ATOM 1360 CD1 ILE A 95 -4.468 5.160 -0.155 1.00 14.44 C ATOM 0 H ILE A 95 -0.946 6.601 -1.999 1.00 41.41 H new ATOM 0 HA ILE A 95 -3.610 7.738 -1.316 1.00 44.23 H new ATOM 0 HB ILE A 95 -1.432 6.732 0.478 1.00 42.51 H new ATOM 0 HG12 ILE A 95 -2.380 4.758 -0.416 1.00 23.01 H new ATOM 0 HG13 ILE A 95 -2.875 4.919 1.257 1.00 23.01 H new ATOM 0 HG21 ILE A 95 -3.156 7.048 2.317 1.00 62.22 H new ATOM 0 HG22 ILE A 95 -2.737 8.569 1.495 1.00 62.22 H new ATOM 0 HG23 ILE A 95 -4.262 7.739 1.107 1.00 62.22 H new ATOM 0 HD11 ILE A 95 -4.726 4.101 -0.129 1.00 14.44 H new ATOM 0 HD12 ILE A 95 -5.112 5.707 0.534 1.00 14.44 H new ATOM 0 HD13 ILE A 95 -4.609 5.543 -1.166 1.00 14.44 H new ATOM 1371 N GLU A 96 -2.368 9.979 -1.506 1.00 12.42 N ATOM 1372 CA GLU A 96 -1.821 11.314 -1.280 1.00 34.10 C ATOM 1373 C GLU A 96 -2.443 11.892 -0.015 1.00 61.22 C ATOM 1374 O GLU A 96 -3.573 12.398 -0.046 1.00 51.23 O ATOM 1375 CB GLU A 96 -2.100 12.258 -2.449 1.00 71.22 C ATOM 1376 CG GLU A 96 -1.331 11.918 -3.727 1.00 53.33 C ATOM 1377 CD GLU A 96 -1.223 13.166 -4.614 1.00 13.10 C ATOM 1378 OE1 GLU A 96 -2.210 13.924 -4.733 1.00 25.13 O ATOM 1379 OE2 GLU A 96 -0.114 13.483 -5.112 1.00 44.33 O ATOM 0 H GLU A 96 -3.227 9.970 -2.056 1.00 12.42 H new ATOM 0 HA GLU A 96 -0.740 11.221 -1.180 1.00 34.10 H new ATOM 0 HB2 GLU A 96 -3.168 12.243 -2.666 1.00 71.22 H new ATOM 0 HB3 GLU A 96 -1.850 13.275 -2.148 1.00 71.22 H new ATOM 0 HG2 GLU A 96 -0.336 11.551 -3.477 1.00 53.33 H new ATOM 0 HG3 GLU A 96 -1.839 11.119 -4.267 1.00 53.33 H new ATOM 1384 N ASP A 97 -1.710 11.854 1.097 1.00 22.30 N ATOM 1385 CA ASP A 97 -2.160 12.457 2.356 1.00 50.24 C ATOM 1386 C ASP A 97 -1.148 13.486 2.839 1.00 12.40 C ATOM 1387 O ASP A 97 0.041 13.323 2.603 1.00 41.41 O ATOM 1388 CB ASP A 97 -2.380 11.405 3.441 1.00 24.31 C ATOM 1389 CG ASP A 97 -2.824 12.145 4.697 1.00 50.12 C ATOM 1390 OD1 ASP A 97 -3.955 12.669 4.688 1.00 64.33 O ATOM 1391 OD2 ASP A 97 -2.020 12.331 5.635 1.00 33.41 O ATOM 0 H ASP A 97 -0.794 11.409 1.154 1.00 22.30 H new ATOM 0 HA ASP A 97 -3.114 12.946 2.161 1.00 50.24 H new ATOM 0 HB2 ASP A 97 -3.136 10.684 3.131 1.00 24.31 H new ATOM 0 HB3 ASP A 97 -1.463 10.846 3.627 1.00 24.31 H new ATOM 1395 N ARG A 98 -1.592 14.551 3.513 1.00 21.44 N ATOM 1396 CA ARG A 98 -0.716 15.622 3.978 1.00 34.13 C ATOM 1397 C ARG A 98 0.320 15.099 4.966 1.00 2.30 C ATOM 1398 O ARG A 98 1.504 15.150 4.650 1.00 63.43 O ATOM 1399 CB ARG A 98 -1.561 16.798 4.511 1.00 24.04 C ATOM 1400 CG ARG A 98 -2.388 17.493 3.413 1.00 70.23 C ATOM 1401 CD ARG A 98 -1.586 18.160 2.285 1.00 31.11 C ATOM 1402 NE ARG A 98 -1.417 19.611 2.426 1.00 64.45 N ATOM 1403 CZ ARG A 98 -2.332 20.551 2.174 1.00 13.41 C ATOM 1404 NH1 ARG A 98 -3.602 20.239 1.949 1.00 64.03 N ATOM 1405 NH2 ARG A 98 -1.950 21.821 2.148 1.00 64.12 N ATOM 0 H ARG A 98 -2.574 14.692 3.751 1.00 21.44 H new ATOM 0 HA ARG A 98 -0.136 16.012 3.142 1.00 34.13 H new ATOM 0 HB2 ARG A 98 -2.233 16.432 5.287 1.00 24.04 H new ATOM 0 HB3 ARG A 98 -0.902 17.529 4.979 1.00 24.04 H new ATOM 0 HG2 ARG A 98 -3.057 16.756 2.969 1.00 70.23 H new ATOM 0 HG3 ARG A 98 -3.015 18.251 3.883 1.00 70.23 H new ATOM 0 HD2 ARG A 98 -0.601 17.697 2.236 1.00 31.11 H new ATOM 0 HD3 ARG A 98 -2.082 17.956 1.336 1.00 31.11 H new ATOM 0 HE ARG A 98 -0.506 19.935 2.750 1.00 64.45 H new ATOM 0 HH11 ARG A 98 -3.898 19.263 1.966 1.00 64.03 H new ATOM 0 HH12 ARG A 98 -4.282 20.975 1.759 1.00 64.03 H new ATOM 0 HH21 ARG A 98 -0.974 22.064 2.318 1.00 64.12 H new ATOM 0 HH22 ARG A 98 -2.632 22.555 1.957 1.00 64.12 H new ATOM 1416 N ASP A 99 -0.095 14.619 6.136 1.00 21.01 N ATOM 1417 CA ASP A 99 0.763 14.133 7.230 1.00 30.42 C ATOM 1418 C ASP A 99 1.175 12.669 7.016 1.00 21.44 C ATOM 1419 O ASP A 99 1.378 11.911 7.968 1.00 4.11 O ATOM 1420 CB ASP A 99 0.082 14.409 8.587 1.00 33.20 C ATOM 1421 CG ASP A 99 1.058 14.877 9.680 1.00 11.10 C ATOM 1422 OD1 ASP A 99 2.067 14.195 9.961 1.00 41.14 O ATOM 1423 OD2 ASP A 99 0.805 15.948 10.283 1.00 42.23 O ATOM 0 H ASP A 99 -1.087 14.552 6.365 1.00 21.01 H new ATOM 0 HA ASP A 99 1.703 14.686 7.233 1.00 30.42 H new ATOM 0 HB2 ASP A 99 -0.688 15.168 8.450 1.00 33.20 H new ATOM 0 HB3 ASP A 99 -0.420 13.502 8.924 1.00 33.20 H new ATOM 1427 N GLY A 100 1.287 12.250 5.749 1.00 70.03 N ATOM 1428 CA GLY A 100 1.828 10.954 5.372 1.00 13.30 C ATOM 1429 C GLY A 100 0.985 9.786 5.868 1.00 53.53 C ATOM 1430 O GLY A 100 1.534 8.703 6.104 1.00 13.10 O ATOM 0 H GLY A 100 0.998 12.816 4.951 1.00 70.03 H new ATOM 0 HA2 GLY A 100 1.907 10.902 4.286 1.00 13.30 H new ATOM 0 HA3 GLY A 100 2.838 10.859 5.770 1.00 13.30 H new ATOM 1434 N ARG A 101 -0.325 9.975 6.074 1.00 10.41 N ATOM 1435 CA ARG A 101 -1.161 8.909 6.617 1.00 23.34 C ATOM 1436 C ARG A 101 -1.171 7.746 5.642 1.00 21.32 C ATOM 1437 O ARG A 101 -1.449 7.924 4.457 1.00 34.00 O ATOM 1438 CB ARG A 101 -2.605 9.352 6.849 1.00 63.33 C ATOM 1439 CG ARG A 101 -2.801 10.288 8.044 1.00 32.41 C ATOM 1440 CD ARG A 101 -4.300 10.573 8.153 1.00 62.24 C ATOM 1441 NE ARG A 101 -4.599 11.486 9.265 1.00 33.14 N ATOM 1442 CZ ARG A 101 -5.189 11.193 10.430 1.00 13.44 C ATOM 1443 NH1 ARG A 101 -5.585 9.964 10.745 1.00 30.34 N ATOM 1444 NH2 ARG A 101 -5.371 12.163 11.309 1.00 74.03 N ATOM 0 H ARG A 101 -0.819 10.845 5.875 1.00 10.41 H new ATOM 0 HA ARG A 101 -0.738 8.625 7.581 1.00 23.34 H new ATOM 0 HB2 ARG A 101 -2.967 9.851 5.950 1.00 63.33 H new ATOM 0 HB3 ARG A 101 -3.224 8.466 6.993 1.00 63.33 H new ATOM 0 HG2 ARG A 101 -2.429 9.827 8.959 1.00 32.41 H new ATOM 0 HG3 ARG A 101 -2.242 11.213 7.904 1.00 32.41 H new ATOM 0 HD2 ARG A 101 -4.657 11.007 7.219 1.00 62.24 H new ATOM 0 HD3 ARG A 101 -4.839 9.637 8.296 1.00 62.24 H new ATOM 0 HE ARG A 101 -4.324 12.459 9.133 1.00 33.14 H new ATOM 0 HH11 ARG A 101 -5.443 9.198 10.087 1.00 30.34 H new ATOM 0 HH12 ARG A 101 -6.031 9.787 11.645 1.00 30.34 H new ATOM 0 HH21 ARG A 101 -5.064 13.111 11.093 1.00 74.03 H new ATOM 0 HH22 ARG A 101 -5.818 11.963 12.204 1.00 74.03 H new ATOM 1455 N HIS A 102 -0.935 6.541 6.150 1.00 65.23 N ATOM 1456 CA HIS A 102 -1.153 5.335 5.376 1.00 31.03 C ATOM 1457 C HIS A 102 -2.622 4.906 5.399 1.00 12.10 C ATOM 1458 O HIS A 102 -3.001 4.106 4.555 1.00 4.31 O ATOM 1459 CB HIS A 102 -0.216 4.220 5.854 1.00 65.43 C ATOM 1460 CG HIS A 102 -0.142 3.985 7.347 1.00 23.03 C ATOM 1461 ND1 HIS A 102 -1.151 3.566 8.192 1.00 50.24 N ATOM 1462 CD2 HIS A 102 0.998 4.104 8.093 1.00 70.22 C ATOM 1463 CE1 HIS A 102 -0.623 3.444 9.423 1.00 33.40 C ATOM 1464 NE2 HIS A 102 0.685 3.756 9.413 1.00 5.44 N ATOM 0 H HIS A 102 -0.592 6.379 7.097 1.00 65.23 H new ATOM 0 HA HIS A 102 -0.913 5.548 4.334 1.00 31.03 H new ATOM 0 HB2 HIS A 102 -0.525 3.289 5.378 1.00 65.43 H new ATOM 0 HB3 HIS A 102 0.789 4.443 5.495 1.00 65.43 H new ATOM 0 HD2 HIS A 102 1.967 4.412 7.729 1.00 70.22 H new ATOM 0 HE1 HIS A 102 -1.174 3.137 10.300 1.00 33.40 H new ATOM 0 HE2 HIS A 102 1.323 3.742 10.209 1.00 5.44 H new ATOM 1471 N PHE A 103 -3.455 5.386 6.336 1.00 23.11 N ATOM 1472 CA PHE A 103 -4.881 5.035 6.487 1.00 22.41 C ATOM 1473 C PHE A 103 -5.207 3.521 6.643 1.00 4.33 C ATOM 1474 O PHE A 103 -6.373 3.167 6.838 1.00 1.30 O ATOM 1475 CB PHE A 103 -5.713 5.723 5.380 1.00 43.24 C ATOM 1476 CG PHE A 103 -6.006 7.201 5.593 1.00 52.15 C ATOM 1477 CD1 PHE A 103 -7.120 7.581 6.366 1.00 45.53 C ATOM 1478 CD2 PHE A 103 -5.235 8.200 4.967 1.00 33.31 C ATOM 1479 CE1 PHE A 103 -7.468 8.936 6.510 1.00 62.35 C ATOM 1480 CE2 PHE A 103 -5.604 9.552 5.083 1.00 13.50 C ATOM 1481 CZ PHE A 103 -6.718 9.923 5.855 1.00 74.31 C ATOM 0 H PHE A 103 -3.143 6.056 7.039 1.00 23.11 H new ATOM 0 HA PHE A 103 -5.177 5.428 7.460 1.00 22.41 H new ATOM 0 HB2 PHE A 103 -5.186 5.609 4.432 1.00 43.24 H new ATOM 0 HB3 PHE A 103 -6.661 5.194 5.283 1.00 43.24 H new ATOM 0 HD1 PHE A 103 -7.714 6.823 6.854 1.00 45.53 H new ATOM 0 HD2 PHE A 103 -4.359 7.927 4.397 1.00 33.31 H new ATOM 0 HE1 PHE A 103 -8.311 9.216 7.124 1.00 62.35 H new ATOM 0 HE2 PHE A 103 -5.027 10.311 4.575 1.00 13.50 H new ATOM 0 HZ PHE A 103 -6.995 10.963 5.943 1.00 74.31 H new ATOM 1490 N LEU A 104 -4.207 2.626 6.628 1.00 22.43 N ATOM 1491 CA LEU A 104 -4.300 1.168 6.841 1.00 32.42 C ATOM 1492 C LEU A 104 -4.810 0.822 8.246 1.00 23.23 C ATOM 1493 O LEU A 104 -5.080 1.712 9.047 1.00 13.11 O ATOM 1494 CB LEU A 104 -2.918 0.511 6.666 1.00 74.14 C ATOM 1495 CG LEU A 104 -2.198 0.779 5.340 1.00 22.34 C ATOM 1496 CD1 LEU A 104 -0.691 0.559 5.506 1.00 24.00 C ATOM 1497 CD2 LEU A 104 -2.777 -0.091 4.224 1.00 65.35 C ATOM 0 H LEU A 104 -3.245 2.919 6.455 1.00 22.43 H new ATOM 0 HA LEU A 104 -5.006 0.791 6.101 1.00 32.42 H new ATOM 0 HB2 LEU A 104 -2.274 0.848 7.478 1.00 74.14 H new ATOM 0 HB3 LEU A 104 -3.036 -0.567 6.779 1.00 74.14 H new ATOM 0 HG LEU A 104 -2.356 1.819 5.054 1.00 22.34 H new ATOM 0 HD11 LEU A 104 -0.189 0.752 4.558 1.00 24.00 H new ATOM 0 HD12 LEU A 104 -0.306 1.239 6.266 1.00 24.00 H new ATOM 0 HD13 LEU A 104 -0.505 -0.470 5.812 1.00 24.00 H new ATOM 0 HD21 LEU A 104 -2.251 0.116 3.292 1.00 65.35 H new ATOM 0 HD22 LEU A 104 -2.657 -1.143 4.483 1.00 65.35 H new ATOM 0 HD23 LEU A 104 -3.836 0.133 4.100 1.00 65.35 H new ATOM 1508 N THR A 105 -4.902 -0.460 8.593 1.00 50.15 N ATOM 1509 CA THR A 105 -5.488 -0.935 9.856 1.00 32.31 C ATOM 1510 C THR A 105 -4.457 -1.641 10.758 1.00 53.33 C ATOM 1511 O THR A 105 -4.764 -2.091 11.865 1.00 5.21 O ATOM 1512 CB THR A 105 -6.710 -1.810 9.509 1.00 41.52 C ATOM 1513 OG1 THR A 105 -6.396 -2.802 8.543 1.00 4.24 O ATOM 1514 CG2 THR A 105 -7.782 -0.947 8.844 1.00 24.11 C ATOM 0 H THR A 105 -4.567 -1.216 7.997 1.00 50.15 H new ATOM 0 HA THR A 105 -5.820 -0.088 10.457 1.00 32.31 H new ATOM 0 HB THR A 105 -7.038 -2.265 10.444 1.00 41.52 H new ATOM 0 HG1 THR A 105 -7.195 -3.336 8.351 1.00 4.24 H new ATOM 0 HG21 THR A 105 -8.646 -1.565 8.599 1.00 24.11 H new ATOM 0 HG22 THR A 105 -8.086 -0.154 9.527 1.00 24.11 H new ATOM 0 HG23 THR A 105 -7.380 -0.506 7.932 1.00 24.11 H new ATOM 1522 N GLU A 106 -3.210 -1.737 10.309 1.00 34.01 N ATOM 1523 CA GLU A 106 -2.291 -2.834 10.589 1.00 1.52 C ATOM 1524 C GLU A 106 -0.939 -2.263 11.061 1.00 22.11 C ATOM 1525 O GLU A 106 -0.755 -1.033 11.041 1.00 25.13 O ATOM 1526 CB GLU A 106 -2.266 -3.725 9.324 1.00 34.32 C ATOM 1527 CG GLU A 106 -3.466 -4.686 9.372 1.00 30.14 C ATOM 1528 CD GLU A 106 -3.895 -5.321 8.048 1.00 62.05 C ATOM 1529 OE1 GLU A 106 -3.711 -4.691 6.982 1.00 44.53 O ATOM 1530 OE2 GLU A 106 -4.591 -6.363 8.151 1.00 1.41 O ATOM 0 H GLU A 106 -2.794 -1.021 9.714 1.00 34.01 H new ATOM 0 HA GLU A 106 -2.599 -3.476 11.414 1.00 1.52 H new ATOM 0 HB2 GLU A 106 -2.312 -3.108 8.427 1.00 34.32 H new ATOM 0 HB3 GLU A 106 -1.334 -4.287 9.277 1.00 34.32 H new ATOM 0 HG2 GLU A 106 -3.232 -5.487 10.073 1.00 30.14 H new ATOM 0 HG3 GLU A 106 -4.319 -4.144 9.781 1.00 30.14 H new ATOM 1535 N PRO A 107 -0.017 -3.076 11.609 1.00 30.44 N ATOM 1536 CA PRO A 107 1.365 -2.633 11.774 1.00 50.21 C ATOM 1537 C PRO A 107 1.931 -2.129 10.438 1.00 50.24 C ATOM 1538 O PRO A 107 1.418 -2.467 9.364 1.00 30.43 O ATOM 1539 CB PRO A 107 2.130 -3.854 12.296 1.00 51.42 C ATOM 1540 CG PRO A 107 1.316 -5.036 11.785 1.00 45.21 C ATOM 1541 CD PRO A 107 -0.114 -4.507 11.845 1.00 1.31 C ATOM 0 HA PRO A 107 1.450 -1.798 12.469 1.00 50.21 H new ATOM 0 HB2 PRO A 107 3.152 -3.878 11.918 1.00 51.42 H new ATOM 0 HB3 PRO A 107 2.193 -3.852 13.384 1.00 51.42 H new ATOM 0 HG2 PRO A 107 1.602 -5.317 10.771 1.00 45.21 H new ATOM 0 HG3 PRO A 107 1.448 -5.919 12.410 1.00 45.21 H new ATOM 0 HD2 PRO A 107 -0.740 -4.986 11.092 1.00 1.31 H new ATOM 0 HD3 PRO A 107 -0.567 -4.714 12.815 1.00 1.31 H new ATOM 1546 N VAL A 108 2.980 -1.312 10.506 1.00 42.45 N ATOM 1547 CA VAL A 108 3.760 -0.875 9.363 1.00 52.14 C ATOM 1548 C VAL A 108 5.208 -0.923 9.811 1.00 14.50 C ATOM 1549 O VAL A 108 5.617 -0.193 10.719 1.00 21.40 O ATOM 1550 CB VAL A 108 3.358 0.519 8.859 1.00 12.10 C ATOM 1551 CG1 VAL A 108 4.303 0.999 7.750 1.00 13.22 C ATOM 1552 CG2 VAL A 108 1.932 0.544 8.300 1.00 30.10 C ATOM 0 H VAL A 108 3.317 -0.927 11.389 1.00 42.45 H new ATOM 0 HA VAL A 108 3.584 -1.527 8.507 1.00 52.14 H new ATOM 0 HB VAL A 108 3.419 1.178 9.725 1.00 12.10 H new ATOM 0 HG11 VAL A 108 3.995 1.988 7.412 1.00 13.22 H new ATOM 0 HG12 VAL A 108 5.321 1.048 8.136 1.00 13.22 H new ATOM 0 HG13 VAL A 108 4.265 0.302 6.913 1.00 13.22 H new ATOM 0 HG21 VAL A 108 1.694 1.551 7.956 1.00 30.10 H new ATOM 0 HG22 VAL A 108 1.856 -0.152 7.465 1.00 30.10 H new ATOM 0 HG23 VAL A 108 1.230 0.251 9.081 1.00 30.10 H new ATOM 1562 N GLU A 109 5.951 -1.811 9.182 1.00 23.44 N ATOM 1563 CA GLU A 109 7.329 -2.119 9.455 1.00 72.24 C ATOM 1564 C GLU A 109 8.265 -1.037 8.897 1.00 74.34 C ATOM 1565 O GLU A 109 7.863 0.019 8.384 1.00 33.04 O ATOM 1566 CB GLU A 109 7.578 -3.524 8.871 1.00 51.44 C ATOM 1567 CG GLU A 109 7.376 -4.631 9.902 1.00 5.53 C ATOM 1568 CD GLU A 109 6.095 -4.522 10.729 1.00 65.03 C ATOM 1569 OE1 GLU A 109 5.059 -5.061 10.296 1.00 4.43 O ATOM 1570 OE2 GLU A 109 6.173 -4.050 11.889 1.00 23.21 O ATOM 0 H GLU A 109 5.577 -2.371 8.416 1.00 23.44 H new ATOM 0 HA GLU A 109 7.544 -2.128 10.524 1.00 72.24 H new ATOM 0 HB2 GLU A 109 6.905 -3.689 8.030 1.00 51.44 H new ATOM 0 HB3 GLU A 109 8.594 -3.577 8.481 1.00 51.44 H new ATOM 0 HG2 GLU A 109 7.376 -5.591 9.386 1.00 5.53 H new ATOM 0 HG3 GLU A 109 8.229 -4.634 10.581 1.00 5.53 H new ATOM 1575 N SER A 110 9.556 -1.292 9.058 1.00 62.25 N ATOM 1576 CA SER A 110 10.682 -0.501 8.621 1.00 13.10 C ATOM 1577 C SER A 110 11.646 -1.542 8.096 1.00 52.31 C ATOM 1578 O SER A 110 12.018 -2.423 8.908 1.00 41.13 O ATOM 1579 CB SER A 110 11.205 0.268 9.835 1.00 61.45 C ATOM 1580 OG SER A 110 12.226 1.188 9.509 1.00 62.05 O ATOM 0 H SER A 110 9.862 -2.136 9.543 1.00 62.25 H new ATOM 0 HA SER A 110 10.478 0.248 7.856 1.00 13.10 H new ATOM 0 HB2 SER A 110 10.378 0.802 10.303 1.00 61.45 H new ATOM 0 HB3 SER A 110 11.584 -0.441 10.571 1.00 61.45 H new ATOM 0 HG SER A 110 12.520 1.651 10.321 1.00 62.05 H new