USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 575 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 Set 1.1: A 33 SER OG : rot 180:sc= 0.9 USER MOD Set 1.2: A 36 THR OG1 : rot 85:sc= 1.04 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.197) USER MOD Single : A 9 THR OG1 : rot -76:sc= -1.39 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -148:sc= -0.414 USER MOD Single : A 19 THR OG1 : rot -137:sc= -1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= -0.0253 (180deg=-0.346) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -74:sc= 1.31 USER MOD Single : A 49 ASN : amide:sc= -0.49 K(o=-0.49,f=-2.6!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -0.132 (180deg=-0.607) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 63 HIS : no HD1:sc= -5.19! C(o=-5.2!,f=-8.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.691 5.984 -4.481 1.00 4.43 N ATOM 88 CA LYS A 6 9.119 5.747 -4.655 1.00 24.15 C ATOM 89 C LYS A 6 9.699 6.670 -5.722 1.00 14.14 C ATOM 90 O LYS A 6 10.890 6.978 -5.708 1.00 11.01 O ATOM 91 CB LYS A 6 9.372 4.287 -5.037 1.00 34.31 C ATOM 92 CG LYS A 6 9.391 4.045 -6.536 1.00 45.34 C ATOM 93 CD LYS A 6 10.795 4.178 -7.104 1.00 53.11 C ATOM 94 CE LYS A 6 11.180 2.960 -7.929 1.00 73.13 C ATOM 95 NZ LYS A 6 12.373 3.222 -8.781 1.00 73.43 N ATOM 0 HA LYS A 6 9.614 5.960 -3.708 1.00 24.15 H new ATOM 0 HB2 LYS A 6 10.325 3.970 -4.614 1.00 34.31 H new ATOM 0 HB3 LYS A 6 8.600 3.663 -4.587 1.00 34.31 H new ATOM 0 HG2 LYS A 6 9.004 3.049 -6.750 1.00 45.34 H new ATOM 0 HG3 LYS A 6 8.729 4.757 -7.029 1.00 45.34 H new ATOM 0 HD2 LYS A 6 10.855 5.072 -7.724 1.00 53.11 H new ATOM 0 HD3 LYS A 6 11.508 4.307 -6.289 1.00 53.11 H new ATOM 0 HE2 LYS A 6 11.386 2.121 -7.264 1.00 73.13 H new ATOM 0 HE3 LYS A 6 10.340 2.668 -8.560 1.00 73.13 H new ATOM 0 HZ1 LYS A 6 12.767 2.319 -9.114 1.00 73.43 H new ATOM 0 HZ2 LYS A 6 12.095 3.802 -9.599 1.00 73.43 H new ATOM 0 HZ3 LYS A 6 13.092 3.729 -8.226 1.00 73.43 H new ATOM 109 N GLU A 7 8.847 7.109 -6.644 1.00 4.14 N ATOM 110 CA GLU A 7 9.276 7.998 -7.717 1.00 23.01 C ATOM 111 C GLU A 7 9.285 9.451 -7.249 1.00 63.45 C ATOM 112 O GLU A 7 10.000 10.287 -7.802 1.00 53.11 O ATOM 113 CB GLU A 7 8.358 7.847 -8.932 1.00 0.34 C ATOM 114 CG GLU A 7 8.195 6.410 -9.397 1.00 14.05 C ATOM 115 CD GLU A 7 7.649 6.312 -10.808 1.00 20.11 C ATOM 116 OE1 GLU A 7 7.013 7.284 -11.266 1.00 43.34 O ATOM 117 OE2 GLU A 7 7.857 5.264 -11.454 1.00 22.44 O ATOM 0 H GLU A 7 7.857 6.864 -6.669 1.00 4.14 H new ATOM 0 HA GLU A 7 10.291 7.720 -8.001 1.00 23.01 H new ATOM 0 HB2 GLU A 7 7.377 8.255 -8.688 1.00 0.34 H new ATOM 0 HB3 GLU A 7 8.756 8.443 -9.754 1.00 0.34 H new ATOM 0 HG2 GLU A 7 9.160 5.905 -9.349 1.00 14.05 H new ATOM 0 HG3 GLU A 7 7.526 5.885 -8.715 1.00 14.05 H new ATOM 124 N ARG A 8 8.486 9.742 -6.228 1.00 42.34 N ATOM 125 CA ARG A 8 8.400 11.093 -5.687 1.00 43.43 C ATOM 126 C ARG A 8 9.779 11.603 -5.276 1.00 54.01 C ATOM 127 O ARG A 8 10.064 12.798 -5.366 1.00 73.33 O ATOM 128 CB ARG A 8 7.454 11.125 -4.486 1.00 13.21 C ATOM 129 CG ARG A 8 6.730 12.451 -4.315 1.00 44.14 C ATOM 130 CD ARG A 8 5.415 12.277 -3.572 1.00 63.31 C ATOM 131 NE ARG A 8 4.263 12.423 -4.457 1.00 52.30 N ATOM 132 CZ ARG A 8 3.775 13.598 -4.840 1.00 60.11 C ATOM 133 NH1 ARG A 8 4.337 14.722 -4.418 1.00 41.34 N ATOM 134 NH2 ARG A 8 2.723 13.650 -5.647 1.00 61.42 N ATOM 0 H ARG A 8 7.889 9.061 -5.759 1.00 42.34 H new ATOM 0 HA ARG A 8 8.008 11.746 -6.467 1.00 43.43 H new ATOM 0 HB2 ARG A 8 6.717 10.330 -4.594 1.00 13.21 H new ATOM 0 HB3 ARG A 8 8.023 10.912 -3.581 1.00 13.21 H new ATOM 0 HG2 ARG A 8 7.368 13.147 -3.770 1.00 44.14 H new ATOM 0 HG3 ARG A 8 6.540 12.892 -5.294 1.00 44.14 H new ATOM 0 HD2 ARG A 8 5.390 11.293 -3.104 1.00 63.31 H new ATOM 0 HD3 ARG A 8 5.352 13.013 -2.770 1.00 63.31 H new ATOM 0 HE ARG A 8 3.808 11.577 -4.800 1.00 52.30 H new ATOM 0 HH11 ARG A 8 5.146 14.686 -3.798 1.00 41.34 H new ATOM 0 HH12 ARG A 8 3.960 15.623 -4.714 1.00 41.34 H new ATOM 0 HH21 ARG A 8 2.288 12.787 -5.974 1.00 61.42 H new ATOM 0 HH22 ARG A 8 2.349 14.553 -5.940 1.00 61.42 H new ATOM 148 N THR A 9 10.631 10.689 -4.823 1.00 62.14 N ATOM 149 CA THR A 9 11.978 11.045 -4.397 1.00 4.13 C ATOM 150 C THR A 9 12.924 11.144 -5.588 1.00 23.10 C ATOM 151 O THR A 9 13.905 11.888 -5.554 1.00 21.45 O ATOM 152 CB THR A 9 12.540 10.020 -3.394 1.00 34.34 C ATOM 153 OG1 THR A 9 13.903 10.332 -3.085 1.00 73.41 O ATOM 154 CG2 THR A 9 12.452 8.609 -3.956 1.00 34.13 C ATOM 0 H THR A 9 10.412 9.696 -4.742 1.00 62.14 H new ATOM 0 HA THR A 9 11.908 12.018 -3.910 1.00 4.13 H new ATOM 0 HB THR A 9 11.942 10.070 -2.484 1.00 34.34 H new ATOM 0 HG1 THR A 9 14.478 10.062 -3.831 1.00 73.41 H new ATOM 0 HG21 THR A 9 12.855 7.902 -3.230 1.00 34.13 H new ATOM 0 HG22 THR A 9 11.410 8.364 -4.162 1.00 34.13 H new ATOM 0 HG23 THR A 9 13.028 8.549 -4.879 1.00 34.13 H new ATOM 162 N ILE A 10 12.624 10.390 -6.640 1.00 53.43 N ATOM 163 CA ILE A 10 13.447 10.395 -7.843 1.00 2.20 C ATOM 164 C ILE A 10 13.692 11.817 -8.336 1.00 53.31 C ATOM 165 O ILE A 10 14.819 12.187 -8.665 1.00 51.40 O ATOM 166 CB ILE A 10 12.797 9.576 -8.974 1.00 10.42 C ATOM 167 CG1 ILE A 10 12.774 8.091 -8.609 1.00 62.40 C ATOM 168 CG2 ILE A 10 13.542 9.795 -10.282 1.00 24.11 C ATOM 169 CD1 ILE A 10 14.152 7.489 -8.440 1.00 34.13 C ATOM 0 H ILE A 10 11.817 9.768 -6.684 1.00 53.43 H new ATOM 0 HA ILE A 10 14.399 9.937 -7.575 1.00 2.20 H new ATOM 0 HB ILE A 10 11.769 9.915 -9.104 1.00 10.42 H new ATOM 0 HG12 ILE A 10 12.214 7.961 -7.683 1.00 62.40 H new ATOM 0 HG13 ILE A 10 12.239 7.543 -9.385 1.00 62.40 H new ATOM 0 HG21 ILE A 10 13.071 9.210 -11.072 1.00 24.11 H new ATOM 0 HG22 ILE A 10 13.511 10.852 -10.546 1.00 24.11 H new ATOM 0 HG23 ILE A 10 14.579 9.480 -10.167 1.00 24.11 H new ATOM 0 HD11 ILE A 10 14.059 6.434 -8.182 1.00 34.13 H new ATOM 0 HD12 ILE A 10 14.709 7.587 -9.372 1.00 34.13 H new ATOM 0 HD13 ILE A 10 14.682 8.012 -7.644 1.00 34.13 H new ATOM 181 N LYS A 11 12.628 12.612 -8.384 1.00 0.25 N ATOM 182 CA LYS A 11 12.726 13.996 -8.833 1.00 73.22 C ATOM 183 C LYS A 11 13.709 14.780 -7.970 1.00 53.32 C ATOM 184 O LYS A 11 14.496 15.579 -8.479 1.00 73.14 O ATOM 185 CB LYS A 11 11.350 14.665 -8.794 1.00 72.30 C ATOM 186 CG LYS A 11 10.251 13.834 -9.433 1.00 70.55 C ATOM 187 CD LYS A 11 8.941 14.601 -9.504 1.00 62.44 C ATOM 188 CE LYS A 11 7.757 13.665 -9.696 1.00 42.20 C ATOM 189 NZ LYS A 11 7.332 13.594 -11.121 1.00 72.13 N ATOM 0 H LYS A 11 11.687 12.321 -8.117 1.00 0.25 H new ATOM 0 HA LYS A 11 13.093 13.994 -9.859 1.00 73.22 H new ATOM 0 HB2 LYS A 11 11.084 14.868 -7.757 1.00 72.30 H new ATOM 0 HB3 LYS A 11 11.409 15.627 -9.303 1.00 72.30 H new ATOM 0 HG2 LYS A 11 10.555 13.538 -10.437 1.00 70.55 H new ATOM 0 HG3 LYS A 11 10.107 12.918 -8.860 1.00 70.55 H new ATOM 0 HD2 LYS A 11 8.806 15.178 -8.589 1.00 62.44 H new ATOM 0 HD3 LYS A 11 8.980 15.314 -10.327 1.00 62.44 H new ATOM 0 HE2 LYS A 11 8.022 12.667 -9.346 1.00 42.20 H new ATOM 0 HE3 LYS A 11 6.922 14.006 -9.084 1.00 42.20 H new ATOM 0 HZ1 LYS A 11 6.523 12.946 -11.210 1.00 72.13 H new ATOM 0 HZ2 LYS A 11 7.055 14.541 -11.448 1.00 72.13 H new ATOM 0 HZ3 LYS A 11 8.121 13.244 -11.702 1.00 72.13 H new ATOM 203 N ILE A 12 13.659 14.547 -6.663 1.00 72.42 N ATOM 204 CA ILE A 12 14.547 15.230 -5.731 1.00 31.20 C ATOM 205 C ILE A 12 15.998 14.814 -5.949 1.00 52.53 C ATOM 206 O ILE A 12 16.864 15.652 -6.198 1.00 53.21 O ATOM 207 CB ILE A 12 14.157 14.943 -4.269 1.00 20.01 C ATOM 208 CG1 ILE A 12 12.686 15.291 -4.033 1.00 32.31 C ATOM 209 CG2 ILE A 12 15.051 15.726 -3.319 1.00 20.10 C ATOM 210 CD1 ILE A 12 12.206 14.972 -2.634 1.00 63.42 C ATOM 0 H ILE A 12 13.013 13.890 -6.226 1.00 72.42 H new ATOM 0 HA ILE A 12 14.445 16.298 -5.923 1.00 31.20 H new ATOM 0 HB ILE A 12 14.295 13.880 -4.074 1.00 20.01 H new ATOM 0 HG12 ILE A 12 12.537 16.353 -4.226 1.00 32.31 H new ATOM 0 HG13 ILE A 12 12.073 14.747 -4.752 1.00 32.31 H new ATOM 0 HG21 ILE A 12 14.763 15.513 -2.290 1.00 20.10 H new ATOM 0 HG22 ILE A 12 16.090 15.434 -3.473 1.00 20.10 H new ATOM 0 HG23 ILE A 12 14.941 16.793 -3.513 1.00 20.10 H new ATOM 0 HD11 ILE A 12 11.155 15.245 -2.539 1.00 63.42 H new ATOM 0 HD12 ILE A 12 12.323 13.905 -2.444 1.00 63.42 H new ATOM 0 HD13 ILE A 12 12.794 15.536 -1.910 1.00 63.42 H new ATOM 222 N GLY A 13 16.256 13.513 -5.856 1.00 11.41 N ATOM 223 CA GLY A 13 17.603 13.009 -6.047 1.00 70.34 C ATOM 224 C GLY A 13 18.187 13.410 -7.387 1.00 63.34 C ATOM 225 O GLY A 13 19.401 13.569 -7.522 1.00 14.53 O ATOM 0 H GLY A 13 15.556 12.799 -5.652 1.00 11.41 H new ATOM 0 HA2 GLY A 13 18.244 13.382 -5.248 1.00 70.34 H new ATOM 0 HA3 GLY A 13 17.596 11.922 -5.968 1.00 70.34 H new ATOM 229 N LYS A 14 17.323 13.572 -8.383 1.00 72.54 N ATOM 230 CA LYS A 14 17.759 13.956 -9.721 1.00 33.24 C ATOM 231 C LYS A 14 17.871 15.472 -9.842 1.00 15.23 C ATOM 232 O LYS A 14 18.617 15.985 -10.676 1.00 74.44 O ATOM 233 CB LYS A 14 16.783 13.420 -10.771 1.00 41.20 C ATOM 234 CG LYS A 14 16.718 11.904 -10.823 1.00 73.41 C ATOM 235 CD LYS A 14 17.252 11.367 -12.141 1.00 12.43 C ATOM 236 CE LYS A 14 16.744 9.961 -12.417 1.00 31.52 C ATOM 237 NZ LYS A 14 15.806 9.926 -13.573 1.00 14.53 N ATOM 0 H LYS A 14 16.316 13.443 -8.289 1.00 72.54 H new ATOM 0 HA LYS A 14 18.744 13.522 -9.894 1.00 33.24 H new ATOM 0 HB2 LYS A 14 15.787 13.811 -10.562 1.00 41.20 H new ATOM 0 HB3 LYS A 14 17.074 13.797 -11.751 1.00 41.20 H new ATOM 0 HG2 LYS A 14 17.295 11.486 -9.998 1.00 73.41 H new ATOM 0 HG3 LYS A 14 15.687 11.578 -10.688 1.00 73.41 H new ATOM 0 HD2 LYS A 14 16.952 12.029 -12.953 1.00 12.43 H new ATOM 0 HD3 LYS A 14 18.342 11.363 -12.119 1.00 12.43 H new ATOM 0 HE2 LYS A 14 17.589 9.302 -12.615 1.00 31.52 H new ATOM 0 HE3 LYS A 14 16.241 9.576 -11.530 1.00 31.52 H new ATOM 0 HZ1 LYS A 14 15.483 8.950 -13.728 1.00 14.53 H new ATOM 0 HZ2 LYS A 14 14.987 10.535 -13.374 1.00 14.53 H new ATOM 0 HZ3 LYS A 14 16.293 10.269 -14.426 1.00 14.53 H new ATOM 251 N TYR A 15 17.126 16.184 -9.003 1.00 41.43 N ATOM 252 CA TYR A 15 17.141 17.642 -9.017 1.00 43.33 C ATOM 253 C TYR A 15 18.339 18.182 -8.242 1.00 0.13 C ATOM 254 O TYR A 15 19.003 19.122 -8.679 1.00 41.32 O ATOM 255 CB TYR A 15 15.844 18.192 -8.422 1.00 41.51 C ATOM 256 CG TYR A 15 15.721 19.696 -8.525 1.00 33.03 C ATOM 257 CD1 TYR A 15 16.317 20.527 -7.584 1.00 51.22 C ATOM 258 CD2 TYR A 15 15.007 20.285 -9.561 1.00 44.30 C ATOM 259 CE1 TYR A 15 16.206 21.901 -7.673 1.00 44.44 C ATOM 260 CE2 TYR A 15 14.893 21.658 -9.659 1.00 12.41 C ATOM 261 CZ TYR A 15 15.494 22.462 -8.713 1.00 12.23 C ATOM 262 OH TYR A 15 15.381 23.830 -8.806 1.00 12.41 O ATOM 0 H TYR A 15 16.505 15.775 -8.305 1.00 41.43 H new ATOM 0 HA TYR A 15 17.225 17.969 -10.053 1.00 43.33 H new ATOM 0 HB2 TYR A 15 14.997 17.731 -8.930 1.00 41.51 H new ATOM 0 HB3 TYR A 15 15.783 17.902 -7.373 1.00 41.51 H new ATOM 0 HD1 TYR A 15 16.876 20.091 -6.769 1.00 51.22 H new ATOM 0 HD2 TYR A 15 14.533 19.659 -10.302 1.00 44.30 H new ATOM 0 HE1 TYR A 15 16.674 22.533 -6.932 1.00 44.44 H new ATOM 0 HE2 TYR A 15 14.336 22.100 -10.472 1.00 12.41 H new ATOM 0 HH TYR A 15 14.517 24.060 -9.207 1.00 12.41 H new ATOM 272 N ILE A 16 18.609 17.580 -7.088 1.00 72.14 N ATOM 273 CA ILE A 16 19.727 17.998 -6.252 1.00 50.11 C ATOM 274 C ILE A 16 21.017 18.080 -7.060 1.00 65.13 C ATOM 275 O ILE A 16 21.856 18.951 -6.826 1.00 35.42 O ATOM 276 CB ILE A 16 19.936 17.035 -5.069 1.00 31.14 C ATOM 277 CG1 ILE A 16 20.423 15.674 -5.570 1.00 72.13 C ATOM 278 CG2 ILE A 16 18.646 16.883 -4.276 1.00 25.24 C ATOM 279 CD1 ILE A 16 21.930 15.549 -5.611 1.00 33.43 C ATOM 0 H ILE A 16 18.069 16.801 -6.711 1.00 72.14 H new ATOM 0 HA ILE A 16 19.480 18.987 -5.866 1.00 50.11 H new ATOM 0 HB ILE A 16 20.698 17.452 -4.411 1.00 31.14 H new ATOM 0 HG12 ILE A 16 20.019 14.893 -4.926 1.00 72.13 H new ATOM 0 HG13 ILE A 16 20.025 15.500 -6.570 1.00 72.13 H new ATOM 0 HG21 ILE A 16 18.809 16.199 -3.443 1.00 25.24 H new ATOM 0 HG22 ILE A 16 18.338 17.856 -3.892 1.00 25.24 H new ATOM 0 HG23 ILE A 16 17.865 16.485 -4.924 1.00 25.24 H new ATOM 0 HD11 ILE A 16 22.203 14.559 -5.976 1.00 33.43 H new ATOM 0 HD12 ILE A 16 22.340 16.307 -6.278 1.00 33.43 H new ATOM 0 HD13 ILE A 16 22.334 15.691 -4.609 1.00 33.43 H new ATOM 291 N VAL A 17 21.170 17.168 -8.015 1.00 63.40 N ATOM 292 CA VAL A 17 22.357 17.138 -8.861 1.00 64.20 C ATOM 293 C VAL A 17 22.195 18.056 -10.068 1.00 25.54 C ATOM 294 O VAL A 17 23.175 18.584 -10.593 1.00 14.11 O ATOM 295 CB VAL A 17 22.660 15.710 -9.353 1.00 24.01 C ATOM 296 CG1 VAL A 17 21.594 15.245 -10.333 1.00 32.14 C ATOM 297 CG2 VAL A 17 24.042 15.647 -9.987 1.00 11.25 C ATOM 0 H VAL A 17 20.486 16.440 -8.222 1.00 63.40 H new ATOM 0 HA VAL A 17 23.189 17.488 -8.251 1.00 64.20 H new ATOM 0 HB VAL A 17 22.648 15.039 -8.494 1.00 24.01 H new ATOM 0 HG11 VAL A 17 21.825 14.234 -10.670 1.00 32.14 H new ATOM 0 HG12 VAL A 17 20.621 15.250 -9.842 1.00 32.14 H new ATOM 0 HG13 VAL A 17 21.571 15.917 -11.191 1.00 32.14 H new ATOM 0 HG21 VAL A 17 24.239 14.631 -10.329 1.00 11.25 H new ATOM 0 HG22 VAL A 17 24.085 16.330 -10.835 1.00 11.25 H new ATOM 0 HG23 VAL A 17 24.793 15.935 -9.251 1.00 11.25 H new ATOM 307 N GLU A 18 20.952 18.240 -10.501 1.00 45.32 N ATOM 308 CA GLU A 18 20.663 19.095 -11.647 1.00 31.50 C ATOM 309 C GLU A 18 20.959 20.556 -11.324 1.00 51.43 C ATOM 310 O GLU A 18 21.321 21.338 -12.204 1.00 54.14 O ATOM 311 CB GLU A 18 19.200 18.940 -12.070 1.00 5.13 C ATOM 312 CG GLU A 18 19.021 18.669 -13.554 1.00 24.30 C ATOM 313 CD GLU A 18 17.596 18.294 -13.911 1.00 10.23 C ATOM 314 OE1 GLU A 18 17.002 17.468 -13.187 1.00 73.42 O ATOM 315 OE2 GLU A 18 17.075 18.827 -14.913 1.00 20.13 O ATOM 0 H GLU A 18 20.130 17.810 -10.077 1.00 45.32 H new ATOM 0 HA GLU A 18 21.307 18.786 -12.471 1.00 31.50 H new ATOM 0 HB2 GLU A 18 18.751 18.124 -11.504 1.00 5.13 H new ATOM 0 HB3 GLU A 18 18.656 19.847 -11.807 1.00 5.13 H new ATOM 0 HG2 GLU A 18 19.312 19.555 -14.119 1.00 24.30 H new ATOM 0 HG3 GLU A 18 19.691 17.864 -13.856 1.00 24.30 H new ATOM 322 N THR A 19 20.802 20.920 -10.055 1.00 71.30 N ATOM 323 CA THR A 19 21.050 22.287 -9.615 1.00 60.21 C ATOM 324 C THR A 19 22.242 22.352 -8.667 1.00 62.44 C ATOM 325 O THR A 19 22.842 23.410 -8.479 1.00 2.12 O ATOM 326 CB THR A 19 19.816 22.883 -8.912 1.00 3.25 C ATOM 327 OG1 THR A 19 19.675 22.315 -7.605 1.00 4.23 O ATOM 328 CG2 THR A 19 18.554 22.625 -9.721 1.00 4.21 C ATOM 0 H THR A 19 20.504 20.286 -9.313 1.00 71.30 H new ATOM 0 HA THR A 19 21.268 22.872 -10.508 1.00 60.21 H new ATOM 0 HB THR A 19 19.959 23.960 -8.827 1.00 3.25 H new ATOM 0 HG1 THR A 19 18.732 22.108 -7.438 1.00 4.23 H new ATOM 0 HG21 THR A 19 17.696 23.055 -9.204 1.00 4.21 H new ATOM 0 HG22 THR A 19 18.652 23.084 -10.705 1.00 4.21 H new ATOM 0 HG23 THR A 19 18.408 21.551 -9.835 1.00 4.21 H new ATOM 336 N LYS A 20 22.582 21.213 -8.073 1.00 31.02 N ATOM 337 CA LYS A 20 23.704 21.139 -7.145 1.00 65.12 C ATOM 338 C LYS A 20 23.445 21.992 -5.908 1.00 10.22 C ATOM 339 O LYS A 20 24.379 22.468 -5.262 1.00 31.44 O ATOM 340 CB LYS A 20 24.992 21.597 -7.833 1.00 43.51 C ATOM 341 CG LYS A 20 25.222 20.950 -9.188 1.00 23.45 C ATOM 342 CD LYS A 20 25.472 19.457 -9.056 1.00 64.42 C ATOM 343 CE LYS A 20 26.740 19.171 -8.266 1.00 0.23 C ATOM 344 NZ LYS A 20 27.727 18.391 -9.063 1.00 32.15 N ATOM 0 H LYS A 20 22.096 20.328 -8.218 1.00 31.02 H new ATOM 0 HA LYS A 20 23.816 20.101 -6.831 1.00 65.12 H new ATOM 0 HB2 LYS A 20 24.962 22.679 -7.957 1.00 43.51 H new ATOM 0 HB3 LYS A 20 25.839 21.374 -7.185 1.00 43.51 H new ATOM 0 HG2 LYS A 20 24.354 21.120 -9.826 1.00 23.45 H new ATOM 0 HG3 LYS A 20 26.074 21.421 -9.677 1.00 23.45 H new ATOM 0 HD2 LYS A 20 24.621 18.987 -8.563 1.00 64.42 H new ATOM 0 HD3 LYS A 20 25.552 19.011 -10.048 1.00 64.42 H new ATOM 0 HE2 LYS A 20 27.191 20.112 -7.950 1.00 0.23 H new ATOM 0 HE3 LYS A 20 26.487 18.619 -7.361 1.00 0.23 H new ATOM 0 HZ1 LYS A 20 28.577 18.217 -8.489 1.00 32.15 H new ATOM 0 HZ2 LYS A 20 27.306 17.482 -9.343 1.00 32.15 H new ATOM 0 HZ3 LYS A 20 27.988 18.929 -9.914 1.00 32.15 H new ATOM 358 N LYS A 21 22.171 22.182 -5.582 1.00 31.51 N ATOM 359 CA LYS A 21 21.788 22.975 -4.420 1.00 54.02 C ATOM 360 C LYS A 21 21.697 22.103 -3.172 1.00 11.32 C ATOM 361 O LYS A 21 22.006 20.912 -3.210 1.00 35.34 O ATOM 362 CB LYS A 21 20.446 23.668 -4.670 1.00 70.41 C ATOM 363 CG LYS A 21 20.575 25.147 -4.989 1.00 63.12 C ATOM 364 CD LYS A 21 20.261 25.432 -6.448 1.00 41.22 C ATOM 365 CE LYS A 21 19.184 26.497 -6.589 1.00 1.04 C ATOM 366 NZ LYS A 21 19.762 27.869 -6.619 1.00 54.30 N ATOM 0 H LYS A 21 21.386 21.797 -6.107 1.00 31.51 H new ATOM 0 HA LYS A 21 22.556 23.731 -4.258 1.00 54.02 H new ATOM 0 HB2 LYS A 21 19.938 23.170 -5.496 1.00 70.41 H new ATOM 0 HB3 LYS A 21 19.815 23.549 -3.789 1.00 70.41 H new ATOM 0 HG2 LYS A 21 19.899 25.718 -4.352 1.00 63.12 H new ATOM 0 HG3 LYS A 21 21.587 25.482 -4.761 1.00 63.12 H new ATOM 0 HD2 LYS A 21 21.167 25.759 -6.959 1.00 41.22 H new ATOM 0 HD3 LYS A 21 19.933 24.514 -6.937 1.00 41.22 H new ATOM 0 HE2 LYS A 21 18.617 26.322 -7.503 1.00 1.04 H new ATOM 0 HE3 LYS A 21 18.482 26.416 -5.759 1.00 1.04 H new ATOM 0 HZ1 LYS A 21 18.996 28.566 -6.716 1.00 54.30 H new ATOM 0 HZ2 LYS A 21 20.282 28.046 -5.736 1.00 54.30 H new ATOM 0 HZ3 LYS A 21 20.412 27.954 -7.426 1.00 54.30 H new ATOM 380 N THR A 22 21.270 22.704 -2.065 1.00 41.34 N ATOM 381 CA THR A 22 21.138 21.983 -0.806 1.00 23.01 C ATOM 382 C THR A 22 19.711 21.487 -0.603 1.00 63.32 C ATOM 383 O THR A 22 18.770 22.012 -1.198 1.00 1.53 O ATOM 384 CB THR A 22 21.538 22.866 0.392 1.00 72.34 C ATOM 385 OG1 THR A 22 20.512 23.829 0.654 1.00 55.22 O ATOM 386 CG2 THR A 22 22.854 23.580 0.122 1.00 31.54 C ATOM 0 H THR A 22 21.010 23.689 -2.016 1.00 41.34 H new ATOM 0 HA THR A 22 21.812 21.128 -0.859 1.00 23.01 H new ATOM 0 HB THR A 22 21.664 22.223 1.263 1.00 72.34 H new ATOM 0 HG1 THR A 22 20.773 24.385 1.418 1.00 55.22 H new ATOM 0 HG21 THR A 22 23.116 24.197 0.981 1.00 31.54 H new ATOM 0 HG22 THR A 22 23.639 22.843 -0.049 1.00 31.54 H new ATOM 0 HG23 THR A 22 22.751 24.212 -0.760 1.00 31.54 H new ATOM 394 N VAL A 23 19.557 20.471 0.241 1.00 50.33 N ATOM 395 CA VAL A 23 18.243 19.905 0.523 1.00 5.14 C ATOM 396 C VAL A 23 17.252 20.991 0.926 1.00 1.00 C ATOM 397 O VAL A 23 16.049 20.863 0.698 1.00 41.14 O ATOM 398 CB VAL A 23 18.316 18.851 1.644 1.00 62.32 C ATOM 399 CG1 VAL A 23 18.919 17.556 1.120 1.00 32.15 C ATOM 400 CG2 VAL A 23 19.116 19.382 2.824 1.00 71.02 C ATOM 0 H VAL A 23 20.325 20.024 0.741 1.00 50.33 H new ATOM 0 HA VAL A 23 17.900 19.427 -0.395 1.00 5.14 H new ATOM 0 HB VAL A 23 17.303 18.640 1.987 1.00 62.32 H new ATOM 0 HG11 VAL A 23 18.963 16.823 1.926 1.00 32.15 H new ATOM 0 HG12 VAL A 23 18.301 17.169 0.310 1.00 32.15 H new ATOM 0 HG13 VAL A 23 19.926 17.748 0.749 1.00 32.15 H new ATOM 0 HG21 VAL A 23 19.157 18.624 3.606 1.00 71.02 H new ATOM 0 HG22 VAL A 23 20.128 19.623 2.499 1.00 71.02 H new ATOM 0 HG23 VAL A 23 18.637 20.280 3.214 1.00 71.02 H new ATOM 410 N ARG A 24 17.765 22.060 1.526 1.00 2.11 N ATOM 411 CA ARG A 24 16.925 23.169 1.961 1.00 33.14 C ATOM 412 C ARG A 24 16.328 23.902 0.763 1.00 21.14 C ATOM 413 O ARG A 24 15.190 24.368 0.811 1.00 34.14 O ATOM 414 CB ARG A 24 17.734 24.144 2.818 1.00 11.33 C ATOM 415 CG ARG A 24 16.935 24.767 3.951 1.00 13.50 C ATOM 416 CD ARG A 24 17.761 24.873 5.223 1.00 10.43 C ATOM 417 NE ARG A 24 17.535 26.137 5.919 1.00 14.13 N ATOM 418 CZ ARG A 24 18.069 27.292 5.539 1.00 65.14 C ATOM 419 NH1 ARG A 24 18.857 27.342 4.473 1.00 2.23 N ATOM 420 NH2 ARG A 24 17.816 28.400 6.224 1.00 62.33 N ATOM 0 H ARG A 24 18.759 22.181 1.722 1.00 2.11 H new ATOM 0 HA ARG A 24 16.110 22.761 2.558 1.00 33.14 H new ATOM 0 HB2 ARG A 24 18.593 23.620 3.236 1.00 11.33 H new ATOM 0 HB3 ARG A 24 18.124 24.938 2.181 1.00 11.33 H new ATOM 0 HG2 ARG A 24 16.593 25.759 3.654 1.00 13.50 H new ATOM 0 HG3 ARG A 24 16.045 24.167 4.143 1.00 13.50 H new ATOM 0 HD2 ARG A 24 17.513 24.045 5.886 1.00 10.43 H new ATOM 0 HD3 ARG A 24 18.819 24.779 4.977 1.00 10.43 H new ATOM 0 HE ARG A 24 16.934 26.132 6.743 1.00 14.13 H new ATOM 0 HH11 ARG A 24 19.054 26.492 3.944 1.00 2.23 H new ATOM 0 HH12 ARG A 24 19.266 28.230 4.183 1.00 2.23 H new ATOM 0 HH21 ARG A 24 17.210 28.366 7.044 1.00 62.33 H new ATOM 0 HH22 ARG A 24 18.227 29.286 5.930 1.00 62.33 H new ATOM 434 N VAL A 25 17.105 24.000 -0.311 1.00 2.44 N ATOM 435 CA VAL A 25 16.654 24.676 -1.521 1.00 71.13 C ATOM 436 C VAL A 25 15.878 23.724 -2.425 1.00 43.20 C ATOM 437 O VAL A 25 15.011 24.147 -3.190 1.00 41.21 O ATOM 438 CB VAL A 25 17.839 25.265 -2.310 1.00 74.53 C ATOM 439 CG1 VAL A 25 17.339 26.138 -3.451 1.00 3.43 C ATOM 440 CG2 VAL A 25 18.755 26.052 -1.386 1.00 60.01 C ATOM 0 H VAL A 25 18.050 23.620 -0.367 1.00 2.44 H new ATOM 0 HA VAL A 25 15.999 25.488 -1.205 1.00 71.13 H new ATOM 0 HB VAL A 25 18.413 24.443 -2.738 1.00 74.53 H new ATOM 0 HG11 VAL A 25 18.190 26.545 -3.997 1.00 3.43 H new ATOM 0 HG12 VAL A 25 16.727 25.539 -4.126 1.00 3.43 H new ATOM 0 HG13 VAL A 25 16.741 26.956 -3.048 1.00 3.43 H new ATOM 0 HG21 VAL A 25 19.587 26.461 -1.960 1.00 60.01 H new ATOM 0 HG22 VAL A 25 18.196 26.867 -0.927 1.00 60.01 H new ATOM 0 HG23 VAL A 25 19.140 25.393 -0.608 1.00 60.01 H new ATOM 450 N ILE A 26 16.196 22.437 -2.331 1.00 52.41 N ATOM 451 CA ILE A 26 15.527 21.425 -3.139 1.00 44.23 C ATOM 452 C ILE A 26 14.181 21.040 -2.535 1.00 42.22 C ATOM 453 O ILE A 26 13.247 20.682 -3.252 1.00 42.41 O ATOM 454 CB ILE A 26 16.393 20.159 -3.285 1.00 53.51 C ATOM 455 CG1 ILE A 26 17.710 20.494 -3.987 1.00 42.14 C ATOM 456 CG2 ILE A 26 15.635 19.086 -4.052 1.00 24.43 C ATOM 457 CD1 ILE A 26 18.932 19.989 -3.253 1.00 30.43 C ATOM 0 H ILE A 26 16.912 22.071 -1.704 1.00 52.41 H new ATOM 0 HA ILE A 26 15.368 21.863 -4.125 1.00 44.23 H new ATOM 0 HB ILE A 26 16.621 19.775 -2.291 1.00 53.51 H new ATOM 0 HG12 ILE A 26 17.696 20.067 -4.990 1.00 42.14 H new ATOM 0 HG13 ILE A 26 17.786 21.575 -4.102 1.00 42.14 H new ATOM 0 HG21 ILE A 26 16.259 18.197 -4.147 1.00 24.43 H new ATOM 0 HG22 ILE A 26 14.721 18.832 -3.515 1.00 24.43 H new ATOM 0 HG23 ILE A 26 15.381 19.459 -5.044 1.00 24.43 H new ATOM 0 HD11 ILE A 26 19.829 20.263 -3.808 1.00 30.43 H new ATOM 0 HD12 ILE A 26 18.970 20.436 -2.259 1.00 30.43 H new ATOM 0 HD13 ILE A 26 18.879 18.904 -3.161 1.00 30.43 H new ATOM 469 N ALA A 27 14.089 21.118 -1.212 1.00 13.13 N ATOM 470 CA ALA A 27 12.856 20.782 -0.511 1.00 33.31 C ATOM 471 C ALA A 27 11.790 21.849 -0.732 1.00 53.42 C ATOM 472 O ALA A 27 10.659 21.544 -1.113 1.00 65.22 O ATOM 473 CB ALA A 27 13.126 20.603 0.976 1.00 74.43 C ATOM 0 H ALA A 27 14.854 21.411 -0.604 1.00 13.13 H new ATOM 0 HA ALA A 27 12.481 19.842 -0.917 1.00 33.31 H new ATOM 0 HB1 ALA A 27 12.196 20.352 1.487 1.00 74.43 H new ATOM 0 HB2 ALA A 27 13.848 19.799 1.121 1.00 74.43 H new ATOM 0 HB3 ALA A 27 13.528 21.529 1.387 1.00 74.43 H new ATOM 479 N LYS A 28 12.156 23.103 -0.490 1.00 51.53 N ATOM 480 CA LYS A 28 11.232 24.218 -0.663 1.00 73.14 C ATOM 481 C LYS A 28 10.587 24.181 -2.045 1.00 61.43 C ATOM 482 O LYS A 28 9.454 24.626 -2.223 1.00 50.11 O ATOM 483 CB LYS A 28 11.962 25.548 -0.465 1.00 52.22 C ATOM 484 CG LYS A 28 13.195 25.701 -1.338 1.00 41.25 C ATOM 485 CD LYS A 28 12.843 26.260 -2.707 1.00 65.42 C ATOM 486 CE LYS A 28 13.319 27.696 -2.862 1.00 13.22 C ATOM 487 NZ LYS A 28 12.613 28.398 -3.970 1.00 32.33 N ATOM 0 H LYS A 28 13.087 23.373 -0.173 1.00 51.53 H new ATOM 0 HA LYS A 28 10.447 24.126 0.088 1.00 73.14 H new ATOM 0 HB2 LYS A 28 11.273 26.366 -0.677 1.00 52.22 H new ATOM 0 HB3 LYS A 28 12.254 25.640 0.581 1.00 52.22 H new ATOM 0 HG2 LYS A 28 13.910 26.361 -0.847 1.00 41.25 H new ATOM 0 HG3 LYS A 28 13.683 24.733 -1.454 1.00 41.25 H new ATOM 0 HD2 LYS A 28 13.295 25.640 -3.481 1.00 65.42 H new ATOM 0 HD3 LYS A 28 11.764 26.216 -2.853 1.00 65.42 H new ATOM 0 HE2 LYS A 28 13.157 28.235 -1.929 1.00 13.22 H new ATOM 0 HE3 LYS A 28 14.392 27.704 -3.052 1.00 13.22 H new ATOM 0 HZ1 LYS A 28 12.966 29.374 -4.043 1.00 32.33 H new ATOM 0 HZ2 LYS A 28 12.788 27.898 -4.865 1.00 32.33 H new ATOM 0 HZ3 LYS A 28 11.591 28.413 -3.776 1.00 32.33 H new ATOM 501 N GLU A 29 11.316 23.645 -3.019 1.00 43.24 N ATOM 502 CA GLU A 29 10.814 23.550 -4.385 1.00 33.21 C ATOM 503 C GLU A 29 9.660 22.555 -4.472 1.00 31.23 C ATOM 504 O GLU A 29 8.699 22.764 -5.212 1.00 41.45 O ATOM 505 CB GLU A 29 11.936 23.131 -5.337 1.00 32.41 C ATOM 506 CG GLU A 29 12.900 24.255 -5.674 1.00 3.44 C ATOM 507 CD GLU A 29 13.061 24.458 -7.168 1.00 1.33 C ATOM 508 OE1 GLU A 29 12.902 23.475 -7.921 1.00 52.41 O ATOM 509 OE2 GLU A 29 13.346 25.601 -7.583 1.00 42.13 O ATOM 0 H GLU A 29 12.256 23.270 -2.888 1.00 43.24 H new ATOM 0 HA GLU A 29 10.447 24.533 -4.679 1.00 33.21 H new ATOM 0 HB2 GLU A 29 12.493 22.308 -4.889 1.00 32.41 H new ATOM 0 HB3 GLU A 29 11.496 22.753 -6.260 1.00 32.41 H new ATOM 0 HG2 GLU A 29 12.545 25.181 -5.222 1.00 3.44 H new ATOM 0 HG3 GLU A 29 13.873 24.038 -5.234 1.00 3.44 H new ATOM 516 N PHE A 30 9.763 21.471 -3.710 1.00 34.03 N ATOM 517 CA PHE A 30 8.729 20.442 -3.701 1.00 24.10 C ATOM 518 C PHE A 30 7.592 20.821 -2.757 1.00 51.22 C ATOM 519 O PHE A 30 6.463 20.357 -2.910 1.00 51.11 O ATOM 520 CB PHE A 30 9.325 19.095 -3.285 1.00 54.11 C ATOM 521 CG PHE A 30 10.074 18.405 -4.388 1.00 62.44 C ATOM 522 CD1 PHE A 30 11.188 18.996 -4.963 1.00 74.12 C ATOM 523 CD2 PHE A 30 9.665 17.164 -4.851 1.00 51.42 C ATOM 524 CE1 PHE A 30 11.880 18.363 -5.978 1.00 51.15 C ATOM 525 CE2 PHE A 30 10.353 16.527 -5.866 1.00 24.42 C ATOM 526 CZ PHE A 30 11.461 17.127 -6.431 1.00 4.20 C ATOM 0 H PHE A 30 10.551 21.282 -3.091 1.00 34.03 H new ATOM 0 HA PHE A 30 8.326 20.358 -4.710 1.00 24.10 H new ATOM 0 HB2 PHE A 30 9.998 19.249 -2.441 1.00 54.11 H new ATOM 0 HB3 PHE A 30 8.523 18.443 -2.938 1.00 54.11 H new ATOM 0 HD1 PHE A 30 11.519 19.963 -4.614 1.00 74.12 H new ATOM 0 HD2 PHE A 30 8.799 16.690 -4.413 1.00 51.42 H new ATOM 0 HE1 PHE A 30 12.747 18.834 -6.417 1.00 51.15 H new ATOM 0 HE2 PHE A 30 10.024 15.560 -6.217 1.00 24.42 H new ATOM 0 HZ PHE A 30 11.999 16.631 -7.225 1.00 4.20 H new ATOM 536 N GLY A 31 7.899 21.669 -1.780 1.00 24.42 N ATOM 537 CA GLY A 31 6.894 22.096 -0.825 1.00 33.12 C ATOM 538 C GLY A 31 6.889 21.247 0.431 1.00 73.11 C ATOM 539 O GLY A 31 5.829 20.937 0.976 1.00 40.14 O ATOM 0 H GLY A 31 8.826 22.068 -1.633 1.00 24.42 H new ATOM 0 HA2 GLY A 31 7.073 23.137 -0.555 1.00 33.12 H new ATOM 0 HA3 GLY A 31 5.911 22.052 -1.293 1.00 33.12 H new ATOM 543 N VAL A 32 8.077 20.868 0.892 1.00 75.33 N ATOM 544 CA VAL A 32 8.205 20.049 2.091 1.00 23.40 C ATOM 545 C VAL A 32 9.380 20.508 2.947 1.00 10.51 C ATOM 546 O VAL A 32 10.190 21.330 2.518 1.00 13.41 O ATOM 547 CB VAL A 32 8.393 18.561 1.737 1.00 2.34 C ATOM 548 CG1 VAL A 32 7.087 17.962 1.239 1.00 21.54 C ATOM 549 CG2 VAL A 32 9.495 18.395 0.702 1.00 52.55 C ATOM 0 H VAL A 32 8.964 21.115 0.453 1.00 75.33 H new ATOM 0 HA VAL A 32 7.280 20.167 2.655 1.00 23.40 H new ATOM 0 HB VAL A 32 8.690 18.025 2.639 1.00 2.34 H new ATOM 0 HG11 VAL A 32 7.239 16.911 0.994 1.00 21.54 H new ATOM 0 HG12 VAL A 32 6.328 18.047 2.016 1.00 21.54 H new ATOM 0 HG13 VAL A 32 6.757 18.498 0.349 1.00 21.54 H new ATOM 0 HG21 VAL A 32 9.614 17.338 0.464 1.00 52.55 H new ATOM 0 HG22 VAL A 32 9.230 18.943 -0.202 1.00 52.55 H new ATOM 0 HG23 VAL A 32 10.431 18.785 1.102 1.00 52.55 H new ATOM 559 N SER A 33 9.467 19.972 4.160 1.00 11.11 N ATOM 560 CA SER A 33 10.541 20.330 5.079 1.00 63.31 C ATOM 561 C SER A 33 11.768 19.453 4.848 1.00 61.32 C ATOM 562 O SER A 33 11.654 18.308 4.409 1.00 22.25 O ATOM 563 CB SER A 33 10.069 20.194 6.528 1.00 74.34 C ATOM 564 OG SER A 33 9.653 18.868 6.806 1.00 74.11 O ATOM 0 H SER A 33 8.807 19.288 4.529 1.00 11.11 H new ATOM 0 HA SER A 33 10.816 21.368 4.890 1.00 63.31 H new ATOM 0 HB2 SER A 33 10.876 20.475 7.205 1.00 74.34 H new ATOM 0 HB3 SER A 33 9.245 20.883 6.712 1.00 74.34 H new ATOM 0 HG SER A 33 9.357 18.807 7.738 1.00 74.11 H new ATOM 570 N LYS A 34 12.942 19.998 5.146 1.00 43.51 N ATOM 571 CA LYS A 34 14.192 19.268 4.973 1.00 61.21 C ATOM 572 C LYS A 34 14.127 17.908 5.661 1.00 2.11 C ATOM 573 O LYS A 34 14.659 16.920 5.155 1.00 31.22 O ATOM 574 CB LYS A 34 15.363 20.079 5.533 1.00 52.23 C ATOM 575 CG LYS A 34 15.489 21.465 4.924 1.00 72.24 C ATOM 576 CD LYS A 34 14.910 22.531 5.839 1.00 63.02 C ATOM 577 CE LYS A 34 13.813 23.324 5.146 1.00 11.42 C ATOM 578 NZ LYS A 34 13.840 24.762 5.533 1.00 54.21 N ATOM 0 H LYS A 34 13.054 20.945 5.509 1.00 43.51 H new ATOM 0 HA LYS A 34 14.346 19.109 3.906 1.00 61.21 H new ATOM 0 HB2 LYS A 34 15.244 20.175 6.612 1.00 52.23 H new ATOM 0 HB3 LYS A 34 16.289 19.530 5.362 1.00 52.23 H new ATOM 0 HG2 LYS A 34 16.539 21.683 4.728 1.00 72.24 H new ATOM 0 HG3 LYS A 34 14.974 21.490 3.964 1.00 72.24 H new ATOM 0 HD2 LYS A 34 14.509 22.062 6.738 1.00 63.02 H new ATOM 0 HD3 LYS A 34 15.703 23.207 6.159 1.00 63.02 H new ATOM 0 HE2 LYS A 34 13.928 23.236 4.066 1.00 11.42 H new ATOM 0 HE3 LYS A 34 12.842 22.898 5.398 1.00 11.42 H new ATOM 0 HZ1 LYS A 34 13.598 25.348 4.709 1.00 54.21 H new ATOM 0 HZ2 LYS A 34 13.149 24.930 6.292 1.00 54.21 H new ATOM 0 HZ3 LYS A 34 14.792 25.013 5.869 1.00 54.21 H new ATOM 592 N SER A 35 13.471 17.865 6.816 1.00 2.23 N ATOM 593 CA SER A 35 13.339 16.627 7.575 1.00 71.33 C ATOM 594 C SER A 35 12.521 15.599 6.799 1.00 54.34 C ATOM 595 O SER A 35 12.757 14.395 6.899 1.00 32.23 O ATOM 596 CB SER A 35 12.682 16.901 8.929 1.00 62.10 C ATOM 597 OG SER A 35 12.311 15.693 9.570 1.00 61.32 O ATOM 0 H SER A 35 13.022 18.673 7.247 1.00 2.23 H new ATOM 0 HA SER A 35 14.338 16.223 7.739 1.00 71.33 H new ATOM 0 HB2 SER A 35 13.371 17.457 9.565 1.00 62.10 H new ATOM 0 HB3 SER A 35 11.801 17.527 8.789 1.00 62.10 H new ATOM 0 HG SER A 35 11.895 15.895 10.434 1.00 61.32 H new ATOM 603 N THR A 36 11.556 16.084 6.023 1.00 13.00 N ATOM 604 CA THR A 36 10.701 15.210 5.230 1.00 33.32 C ATOM 605 C THR A 36 11.432 14.700 3.994 1.00 74.43 C ATOM 606 O THR A 36 11.259 13.550 3.588 1.00 53.32 O ATOM 607 CB THR A 36 9.413 15.932 4.790 1.00 21.42 C ATOM 608 OG1 THR A 36 8.682 16.374 5.939 1.00 5.44 O ATOM 609 CG2 THR A 36 8.538 15.014 3.950 1.00 64.24 C ATOM 0 H THR A 36 11.347 17.078 5.927 1.00 13.00 H new ATOM 0 HA THR A 36 10.436 14.365 5.866 1.00 33.32 H new ATOM 0 HB THR A 36 9.695 16.794 4.185 1.00 21.42 H new ATOM 0 HG1 THR A 36 9.029 17.242 6.234 1.00 5.44 H new ATOM 0 HG21 THR A 36 7.635 15.546 3.651 1.00 64.24 H new ATOM 0 HG22 THR A 36 9.086 14.702 3.061 1.00 64.24 H new ATOM 0 HG23 THR A 36 8.265 14.136 4.535 1.00 64.24 H new ATOM 617 N VAL A 37 12.250 15.561 3.398 1.00 1.21 N ATOM 618 CA VAL A 37 13.010 15.197 2.208 1.00 35.21 C ATOM 619 C VAL A 37 14.125 14.215 2.548 1.00 45.15 C ATOM 620 O VAL A 37 14.160 13.096 2.034 1.00 2.25 O ATOM 621 CB VAL A 37 13.621 16.438 1.530 1.00 32.45 C ATOM 622 CG1 VAL A 37 14.446 16.032 0.318 1.00 14.44 C ATOM 623 CG2 VAL A 37 12.529 17.422 1.138 1.00 62.20 C ATOM 0 H VAL A 37 12.404 16.517 3.720 1.00 1.21 H new ATOM 0 HA VAL A 37 12.311 14.724 1.518 1.00 35.21 H new ATOM 0 HB VAL A 37 14.284 16.931 2.241 1.00 32.45 H new ATOM 0 HG11 VAL A 37 14.870 16.921 -0.148 1.00 14.44 H new ATOM 0 HG12 VAL A 37 15.251 15.368 0.632 1.00 14.44 H new ATOM 0 HG13 VAL A 37 13.809 15.515 -0.399 1.00 14.44 H new ATOM 0 HG21 VAL A 37 12.978 18.293 0.660 1.00 62.20 H new ATOM 0 HG22 VAL A 37 11.839 16.942 0.443 1.00 62.20 H new ATOM 0 HG23 VAL A 37 11.986 17.737 2.029 1.00 62.20 H new ATOM 633 N HIS A 38 15.037 14.641 3.416 1.00 1.22 N ATOM 634 CA HIS A 38 16.155 13.799 3.826 1.00 63.13 C ATOM 635 C HIS A 38 15.662 12.441 4.316 1.00 55.00 C ATOM 636 O HIS A 38 16.376 11.442 4.232 1.00 34.53 O ATOM 637 CB HIS A 38 16.964 14.488 4.925 1.00 21.22 C ATOM 638 CG HIS A 38 18.218 15.139 4.428 1.00 70.32 C ATOM 639 ND1 HIS A 38 18.716 16.312 4.953 1.00 3.14 N ATOM 640 CD2 HIS A 38 19.077 14.773 3.448 1.00 73.33 C ATOM 641 CE1 HIS A 38 19.826 16.641 4.317 1.00 24.40 C ATOM 642 NE2 HIS A 38 20.067 15.722 3.399 1.00 44.33 N ATOM 0 H HIS A 38 15.024 15.564 3.849 1.00 1.22 H new ATOM 0 HA HIS A 38 16.796 13.641 2.958 1.00 63.13 H new ATOM 0 HB2 HIS A 38 16.340 15.241 5.406 1.00 21.22 H new ATOM 0 HB3 HIS A 38 17.223 13.754 5.688 1.00 21.22 H new ATOM 0 HD1 HIS A 38 18.293 16.843 5.714 1.00 3.14 H new ATOM 0 HD2 HIS A 38 18.998 13.897 2.821 1.00 73.33 H new ATOM 0 HE1 HIS A 38 20.433 17.512 4.514 1.00 24.40 H new ATOM 650 N LYS A 39 14.436 12.412 4.828 1.00 0.35 N ATOM 651 CA LYS A 39 13.845 11.178 5.332 1.00 64.10 C ATOM 652 C LYS A 39 13.793 10.115 4.239 1.00 31.25 C ATOM 653 O LYS A 39 14.257 8.991 4.431 1.00 32.44 O ATOM 654 CB LYS A 39 12.437 11.444 5.868 1.00 72.22 C ATOM 655 CG LYS A 39 11.711 10.188 6.319 1.00 54.33 C ATOM 656 CD LYS A 39 10.414 10.522 7.038 1.00 61.24 C ATOM 657 CE LYS A 39 9.260 9.673 6.528 1.00 72.32 C ATOM 658 NZ LYS A 39 9.009 8.494 7.403 1.00 43.21 N ATOM 0 H LYS A 39 13.832 13.230 4.905 1.00 0.35 H new ATOM 0 HA LYS A 39 14.471 10.809 6.144 1.00 64.10 H new ATOM 0 HB2 LYS A 39 12.501 12.137 6.707 1.00 72.22 H new ATOM 0 HB3 LYS A 39 11.849 11.935 5.093 1.00 72.22 H new ATOM 0 HG2 LYS A 39 11.497 9.560 5.454 1.00 54.33 H new ATOM 0 HG3 LYS A 39 12.357 9.611 6.981 1.00 54.33 H new ATOM 0 HD2 LYS A 39 10.539 10.363 8.109 1.00 61.24 H new ATOM 0 HD3 LYS A 39 10.180 11.577 6.898 1.00 61.24 H new ATOM 0 HE2 LYS A 39 8.358 10.282 6.472 1.00 72.32 H new ATOM 0 HE3 LYS A 39 9.479 9.334 5.515 1.00 72.32 H new ATOM 0 HZ1 LYS A 39 8.215 7.941 7.021 1.00 43.21 H new ATOM 0 HZ2 LYS A 39 9.861 7.899 7.436 1.00 43.21 H new ATOM 0 HZ3 LYS A 39 8.775 8.818 8.363 1.00 43.21 H new ATOM 672 N ASP A 40 13.227 10.478 3.094 1.00 72.21 N ATOM 673 CA ASP A 40 13.116 9.556 1.970 1.00 64.44 C ATOM 674 C ASP A 40 14.404 9.539 1.152 1.00 22.31 C ATOM 675 O ASP A 40 14.802 8.500 0.622 1.00 2.40 O ATOM 676 CB ASP A 40 11.936 9.944 1.078 1.00 44.35 C ATOM 677 CG ASP A 40 10.610 9.874 1.809 1.00 61.14 C ATOM 678 OD1 ASP A 40 10.477 10.535 2.860 1.00 73.53 O ATOM 679 OD2 ASP A 40 9.706 9.158 1.330 1.00 33.50 O ATOM 0 H ASP A 40 12.838 11.404 2.919 1.00 72.21 H new ATOM 0 HA ASP A 40 12.946 8.556 2.368 1.00 64.44 H new ATOM 0 HB2 ASP A 40 12.087 10.956 0.701 1.00 44.35 H new ATOM 0 HB3 ASP A 40 11.906 9.282 0.212 1.00 44.35 H new ATOM 684 N LEU A 41 15.051 10.695 1.053 1.00 60.31 N ATOM 685 CA LEU A 41 16.294 10.814 0.299 1.00 61.33 C ATOM 686 C LEU A 41 17.367 9.892 0.869 1.00 5.32 C ATOM 687 O LEU A 41 18.354 9.581 0.201 1.00 72.23 O ATOM 688 CB LEU A 41 16.787 12.262 0.315 1.00 22.44 C ATOM 689 CG LEU A 41 16.233 13.172 -0.781 1.00 14.23 C ATOM 690 CD1 LEU A 41 17.117 13.119 -2.017 1.00 34.20 C ATOM 691 CD2 LEU A 41 14.804 12.780 -1.127 1.00 54.42 C ATOM 0 H LEU A 41 14.735 11.563 1.485 1.00 60.31 H new ATOM 0 HA LEU A 41 16.096 10.516 -0.731 1.00 61.33 H new ATOM 0 HB2 LEU A 41 16.538 12.699 1.282 1.00 22.44 H new ATOM 0 HB3 LEU A 41 17.874 12.255 0.239 1.00 22.44 H new ATOM 0 HG LEU A 41 16.228 14.196 -0.408 1.00 14.23 H new ATOM 0 HD11 LEU A 41 16.707 13.773 -2.786 1.00 34.20 H new ATOM 0 HD12 LEU A 41 18.123 13.449 -1.759 1.00 34.20 H new ATOM 0 HD13 LEU A 41 17.156 12.097 -2.393 1.00 34.20 H new ATOM 0 HD21 LEU A 41 14.425 13.438 -1.909 1.00 54.42 H new ATOM 0 HD22 LEU A 41 14.785 11.749 -1.480 1.00 54.42 H new ATOM 0 HD23 LEU A 41 14.177 12.872 -0.240 1.00 54.42 H new ATOM 703 N THR A 42 17.168 9.457 2.109 1.00 23.24 N ATOM 704 CA THR A 42 18.118 8.570 2.770 1.00 51.31 C ATOM 705 C THR A 42 17.480 7.224 3.093 1.00 0.15 C ATOM 706 O THR A 42 18.109 6.360 3.703 1.00 63.24 O ATOM 707 CB THR A 42 18.659 9.195 4.070 1.00 71.21 C ATOM 708 OG1 THR A 42 17.610 9.291 5.040 1.00 5.24 O ATOM 709 CG2 THR A 42 19.241 10.575 3.806 1.00 52.33 C ATOM 0 H THR A 42 16.357 9.704 2.676 1.00 23.24 H new ATOM 0 HA THR A 42 18.945 8.419 2.077 1.00 51.31 H new ATOM 0 HB THR A 42 19.451 8.552 4.454 1.00 71.21 H new ATOM 0 HG1 THR A 42 17.003 10.020 4.794 1.00 5.24 H new ATOM 0 HG21 THR A 42 19.617 10.996 4.739 1.00 52.33 H new ATOM 0 HG22 THR A 42 20.058 10.494 3.089 1.00 52.33 H new ATOM 0 HG23 THR A 42 18.466 11.225 3.401 1.00 52.33 H new ATOM 717 N GLU A 43 16.228 7.053 2.681 1.00 12.31 N ATOM 718 CA GLU A 43 15.506 5.811 2.928 1.00 33.21 C ATOM 719 C GLU A 43 15.032 5.187 1.618 1.00 3.04 C ATOM 720 O GLU A 43 15.583 4.185 1.161 1.00 13.22 O ATOM 721 CB GLU A 43 14.309 6.065 3.847 1.00 74.32 C ATOM 722 CG GLU A 43 14.691 6.265 5.304 1.00 60.14 C ATOM 723 CD GLU A 43 14.460 5.023 6.143 1.00 1.42 C ATOM 724 OE1 GLU A 43 13.284 4.669 6.368 1.00 22.03 O ATOM 725 OE2 GLU A 43 15.456 4.406 6.575 1.00 45.31 O ATOM 0 H GLU A 43 15.693 7.759 2.175 1.00 12.31 H new ATOM 0 HA GLU A 43 16.188 5.115 3.416 1.00 33.21 H new ATOM 0 HB2 GLU A 43 13.773 6.947 3.496 1.00 74.32 H new ATOM 0 HB3 GLU A 43 13.620 5.224 3.773 1.00 74.32 H new ATOM 0 HG2 GLU A 43 15.741 6.550 5.365 1.00 60.14 H new ATOM 0 HG3 GLU A 43 14.112 7.091 5.717 1.00 60.14 H new ATOM 732 N ARG A 44 14.008 5.787 1.020 1.00 20.44 N ATOM 733 CA ARG A 44 13.459 5.290 -0.235 1.00 72.43 C ATOM 734 C ARG A 44 14.429 5.534 -1.388 1.00 11.05 C ATOM 735 O ARG A 44 14.732 4.625 -2.162 1.00 13.22 O ATOM 736 CB ARG A 44 12.118 5.963 -0.532 1.00 73.00 C ATOM 737 CG ARG A 44 10.982 5.473 0.351 1.00 74.23 C ATOM 738 CD ARG A 44 10.049 4.542 -0.408 1.00 31.53 C ATOM 739 NE ARG A 44 10.545 3.168 -0.429 1.00 42.20 N ATOM 740 CZ ARG A 44 10.479 2.347 0.613 1.00 60.43 C ATOM 741 NH1 ARG A 44 9.940 2.757 1.752 1.00 11.51 N ATOM 742 NH2 ARG A 44 10.952 1.111 0.516 1.00 64.34 N ATOM 0 H ARG A 44 13.542 6.618 1.385 1.00 20.44 H new ATOM 0 HA ARG A 44 13.304 4.216 -0.134 1.00 72.43 H new ATOM 0 HB2 ARG A 44 12.226 7.040 -0.406 1.00 73.00 H new ATOM 0 HB3 ARG A 44 11.857 5.789 -1.576 1.00 73.00 H new ATOM 0 HG2 ARG A 44 11.391 4.953 1.217 1.00 74.23 H new ATOM 0 HG3 ARG A 44 10.419 6.326 0.728 1.00 74.23 H new ATOM 0 HD2 ARG A 44 9.061 4.564 0.053 1.00 31.53 H new ATOM 0 HD3 ARG A 44 9.932 4.901 -1.431 1.00 31.53 H new ATOM 0 HE ARG A 44 10.965 2.820 -1.291 1.00 42.20 H new ATOM 0 HH11 ARG A 44 9.574 3.706 1.831 1.00 11.51 H new ATOM 0 HH12 ARG A 44 9.891 2.124 2.550 1.00 11.51 H new ATOM 0 HH21 ARG A 44 11.367 0.791 -0.359 1.00 64.34 H new ATOM 0 HH22 ARG A 44 10.901 0.481 1.317 1.00 64.34 H new ATOM 756 N LEU A 45 14.912 6.767 -1.495 1.00 64.44 N ATOM 757 CA LEU A 45 15.848 7.132 -2.553 1.00 62.54 C ATOM 758 C LEU A 45 16.913 6.054 -2.734 1.00 1.51 C ATOM 759 O LEU A 45 17.079 5.485 -3.813 1.00 13.31 O ATOM 760 CB LEU A 45 16.512 8.472 -2.234 1.00 54.44 C ATOM 761 CG LEU A 45 17.919 8.676 -2.798 1.00 35.03 C ATOM 762 CD1 LEU A 45 17.952 8.348 -4.282 1.00 72.23 C ATOM 763 CD2 LEU A 45 18.389 10.102 -2.554 1.00 42.52 C ATOM 0 H LEU A 45 14.671 7.530 -0.863 1.00 64.44 H new ATOM 0 HA LEU A 45 15.288 7.224 -3.484 1.00 62.54 H new ATOM 0 HB2 LEU A 45 15.872 9.270 -2.610 1.00 54.44 H new ATOM 0 HB3 LEU A 45 16.557 8.584 -1.151 1.00 54.44 H new ATOM 0 HG LEU A 45 18.599 7.997 -2.282 1.00 35.03 H new ATOM 0 HD11 LEU A 45 18.961 8.499 -4.666 1.00 72.23 H new ATOM 0 HD12 LEU A 45 17.659 7.309 -4.432 1.00 72.23 H new ATOM 0 HD13 LEU A 45 17.260 9.001 -4.814 1.00 72.23 H new ATOM 0 HD21 LEU A 45 19.392 10.229 -2.962 1.00 42.52 H new ATOM 0 HD22 LEU A 45 17.707 10.798 -3.043 1.00 42.52 H new ATOM 0 HD23 LEU A 45 18.405 10.302 -1.483 1.00 42.52 H new ATOM 775 N PRO A 46 17.652 5.765 -1.652 1.00 51.34 N ATOM 776 CA PRO A 46 18.712 4.753 -1.665 1.00 74.44 C ATOM 777 C PRO A 46 18.159 3.337 -1.787 1.00 70.35 C ATOM 778 O PRO A 46 18.789 2.465 -2.385 1.00 73.14 O ATOM 779 CB PRO A 46 19.401 4.943 -0.312 1.00 34.22 C ATOM 780 CG PRO A 46 18.356 5.545 0.564 1.00 62.34 C ATOM 781 CD PRO A 46 17.509 6.404 -0.333 1.00 41.34 C ATOM 0 HA PRO A 46 19.379 4.872 -2.519 1.00 74.44 H new ATOM 0 HB2 PRO A 46 19.755 3.993 0.089 1.00 34.22 H new ATOM 0 HB3 PRO A 46 20.270 5.596 -0.398 1.00 34.22 H new ATOM 0 HG2 PRO A 46 17.756 4.772 1.044 1.00 62.34 H new ATOM 0 HG3 PRO A 46 18.808 6.138 1.359 1.00 62.34 H new ATOM 0 HD2 PRO A 46 16.469 6.423 -0.006 1.00 41.34 H new ATOM 0 HD3 PRO A 46 17.858 7.437 -0.347 1.00 41.34 H new ATOM 789 N GLU A 47 16.979 3.116 -1.217 1.00 75.23 N ATOM 790 CA GLU A 47 16.342 1.804 -1.263 1.00 43.51 C ATOM 791 C GLU A 47 16.023 1.405 -2.701 1.00 32.43 C ATOM 792 O GLU A 47 16.240 0.260 -3.100 1.00 41.45 O ATOM 793 CB GLU A 47 15.062 1.805 -0.426 1.00 33.14 C ATOM 794 CG GLU A 47 15.268 1.326 1.002 1.00 53.24 C ATOM 795 CD GLU A 47 15.386 -0.182 1.100 1.00 63.43 C ATOM 796 OE1 GLU A 47 16.502 -0.704 0.893 1.00 42.35 O ATOM 797 OE2 GLU A 47 14.364 -0.841 1.383 1.00 63.30 O ATOM 0 H GLU A 47 16.445 3.827 -0.718 1.00 75.23 H new ATOM 0 HA GLU A 47 17.038 1.075 -0.848 1.00 43.51 H new ATOM 0 HB2 GLU A 47 14.652 2.815 -0.406 1.00 33.14 H new ATOM 0 HB3 GLU A 47 14.321 1.169 -0.910 1.00 33.14 H new ATOM 0 HG2 GLU A 47 16.170 1.784 1.409 1.00 53.24 H new ATOM 0 HG3 GLU A 47 14.434 1.662 1.618 1.00 53.24 H new ATOM 804 N ILE A 48 15.506 2.355 -3.472 1.00 14.02 N ATOM 805 CA ILE A 48 15.157 2.103 -4.864 1.00 73.43 C ATOM 806 C ILE A 48 16.332 2.401 -5.788 1.00 44.14 C ATOM 807 O ILE A 48 16.448 1.824 -6.869 1.00 12.03 O ATOM 808 CB ILE A 48 13.946 2.947 -5.303 1.00 51.13 C ATOM 809 CG1 ILE A 48 14.179 4.423 -4.972 1.00 73.32 C ATOM 810 CG2 ILE A 48 12.677 2.442 -4.633 1.00 50.11 C ATOM 811 CD1 ILE A 48 13.845 5.358 -6.113 1.00 65.15 C ATOM 0 H ILE A 48 15.319 3.307 -3.156 1.00 14.02 H new ATOM 0 HA ILE A 48 14.899 1.047 -4.938 1.00 73.43 H new ATOM 0 HB ILE A 48 13.826 2.850 -6.382 1.00 51.13 H new ATOM 0 HG12 ILE A 48 13.577 4.692 -4.104 1.00 73.32 H new ATOM 0 HG13 ILE A 48 15.223 4.564 -4.691 1.00 73.32 H new ATOM 0 HG21 ILE A 48 11.830 3.049 -4.953 1.00 50.11 H new ATOM 0 HG22 ILE A 48 12.506 1.403 -4.914 1.00 50.11 H new ATOM 0 HG23 ILE A 48 12.784 2.512 -3.551 1.00 50.11 H new ATOM 0 HD11 ILE A 48 14.034 6.387 -5.807 1.00 65.15 H new ATOM 0 HD12 ILE A 48 14.466 5.116 -6.976 1.00 65.15 H new ATOM 0 HD13 ILE A 48 12.794 5.246 -6.379 1.00 65.15 H new ATOM 823 N ASN A 49 17.204 3.306 -5.355 1.00 22.34 N ATOM 824 CA ASN A 49 18.373 3.680 -6.143 1.00 12.34 C ATOM 825 C ASN A 49 19.529 4.095 -5.238 1.00 12.54 C ATOM 826 O ASN A 49 19.597 5.226 -4.755 1.00 11.10 O ATOM 827 CB ASN A 49 18.024 4.822 -7.099 1.00 50.24 C ATOM 828 CG ASN A 49 17.369 4.328 -8.375 1.00 12.13 C ATOM 829 OD1 ASN A 49 17.602 3.200 -8.809 1.00 3.01 O ATOM 830 ND2 ASN A 49 16.544 5.173 -8.981 1.00 54.25 N ATOM 0 H ASN A 49 17.123 3.794 -4.463 1.00 22.34 H new ATOM 0 HA ASN A 49 18.683 2.811 -6.723 1.00 12.34 H new ATOM 0 HB2 ASN A 49 17.355 5.521 -6.597 1.00 50.24 H new ATOM 0 HB3 ASN A 49 18.931 5.373 -7.349 1.00 50.24 H new ATOM 0 HD21 ASN A 49 16.073 4.897 -9.843 1.00 54.25 H new ATOM 0 HD22 ASN A 49 16.381 6.099 -8.585 1.00 54.25 H new ATOM 837 N PRO A 50 20.461 3.160 -5.002 1.00 12.25 N ATOM 838 CA PRO A 50 21.632 3.406 -4.155 1.00 32.44 C ATOM 839 C PRO A 50 22.622 4.369 -4.799 1.00 51.44 C ATOM 840 O PRO A 50 23.236 5.191 -4.119 1.00 23.14 O ATOM 841 CB PRO A 50 22.258 2.017 -4.004 1.00 61.01 C ATOM 842 CG PRO A 50 21.814 1.268 -5.213 1.00 11.10 C ATOM 843 CD PRO A 50 20.443 1.791 -5.544 1.00 5.22 C ATOM 0 HA PRO A 50 21.359 3.871 -3.208 1.00 32.44 H new ATOM 0 HB2 PRO A 50 23.345 2.076 -3.952 1.00 61.01 H new ATOM 0 HB3 PRO A 50 21.921 1.528 -3.090 1.00 61.01 H new ATOM 0 HG2 PRO A 50 22.502 1.424 -6.044 1.00 11.10 H new ATOM 0 HG3 PRO A 50 21.786 0.196 -5.019 1.00 11.10 H new ATOM 0 HD2 PRO A 50 20.260 1.786 -6.618 1.00 5.22 H new ATOM 0 HD3 PRO A 50 19.661 1.187 -5.085 1.00 5.22 H new ATOM 851 N ASP A 51 22.772 4.264 -6.115 1.00 75.02 N ATOM 852 CA ASP A 51 23.686 5.128 -6.852 1.00 64.24 C ATOM 853 C ASP A 51 23.245 6.586 -6.766 1.00 65.31 C ATOM 854 O ASP A 51 24.042 7.468 -6.443 1.00 52.23 O ATOM 855 CB ASP A 51 23.765 4.692 -8.316 1.00 64.32 C ATOM 856 CG ASP A 51 24.996 5.234 -9.016 1.00 52.33 C ATOM 857 OD1 ASP A 51 26.077 4.625 -8.874 1.00 51.02 O ATOM 858 OD2 ASP A 51 24.877 6.268 -9.707 1.00 65.42 O ATOM 0 H ASP A 51 22.272 3.589 -6.693 1.00 75.02 H new ATOM 0 HA ASP A 51 24.674 5.039 -6.400 1.00 64.24 H new ATOM 0 HB2 ASP A 51 23.771 3.603 -8.368 1.00 64.32 H new ATOM 0 HB3 ASP A 51 22.873 5.031 -8.842 1.00 64.32 H new ATOM 863 N LEU A 52 21.973 6.832 -7.058 1.00 30.35 N ATOM 864 CA LEU A 52 21.426 8.183 -7.014 1.00 14.21 C ATOM 865 C LEU A 52 21.453 8.736 -5.593 1.00 4.43 C ATOM 866 O LEU A 52 21.509 9.949 -5.389 1.00 23.30 O ATOM 867 CB LEU A 52 19.992 8.192 -7.549 1.00 25.33 C ATOM 868 CG LEU A 52 19.839 8.423 -9.052 1.00 75.44 C ATOM 869 CD1 LEU A 52 18.374 8.355 -9.456 1.00 13.04 C ATOM 870 CD2 LEU A 52 20.442 9.761 -9.451 1.00 1.51 C ATOM 0 H LEU A 52 21.301 6.114 -7.328 1.00 30.35 H new ATOM 0 HA LEU A 52 22.047 8.820 -7.644 1.00 14.21 H new ATOM 0 HB2 LEU A 52 19.526 7.239 -7.299 1.00 25.33 H new ATOM 0 HB3 LEU A 52 19.434 8.967 -7.024 1.00 25.33 H new ATOM 0 HG LEU A 52 20.377 7.634 -9.577 1.00 75.44 H new ATOM 0 HD11 LEU A 52 18.284 8.522 -10.529 1.00 13.04 H new ATOM 0 HD12 LEU A 52 17.973 7.373 -9.207 1.00 13.04 H new ATOM 0 HD13 LEU A 52 17.813 9.122 -8.922 1.00 13.04 H new ATOM 0 HD21 LEU A 52 20.324 9.908 -10.525 1.00 1.51 H new ATOM 0 HD22 LEU A 52 19.933 10.563 -8.917 1.00 1.51 H new ATOM 0 HD23 LEU A 52 21.502 9.772 -9.198 1.00 1.51 H new ATOM 882 N ALA A 53 21.416 7.839 -4.613 1.00 41.01 N ATOM 883 CA ALA A 53 21.441 8.237 -3.211 1.00 44.02 C ATOM 884 C ALA A 53 22.780 8.869 -2.844 1.00 13.10 C ATOM 885 O ALA A 53 22.867 9.660 -1.905 1.00 74.45 O ATOM 886 CB ALA A 53 21.158 7.039 -2.317 1.00 64.22 C ATOM 0 H ALA A 53 21.369 6.831 -4.764 1.00 41.01 H new ATOM 0 HA ALA A 53 20.662 8.983 -3.057 1.00 44.02 H new ATOM 0 HB1 ALA A 53 21.180 7.351 -1.273 1.00 64.22 H new ATOM 0 HB2 ALA A 53 20.175 6.633 -2.554 1.00 64.22 H new ATOM 0 HB3 ALA A 53 21.916 6.274 -2.483 1.00 64.22 H new ATOM 892 N ASN A 54 23.821 8.514 -3.590 1.00 11.40 N ATOM 893 CA ASN A 54 25.156 9.046 -3.341 1.00 51.43 C ATOM 894 C ASN A 54 25.230 10.524 -3.712 1.00 42.41 C ATOM 895 O ASN A 54 25.910 11.307 -3.049 1.00 31.11 O ATOM 896 CB ASN A 54 26.198 8.257 -4.136 1.00 23.24 C ATOM 897 CG ASN A 54 27.027 7.344 -3.253 1.00 65.44 C ATOM 898 OD1 ASN A 54 27.763 7.805 -2.381 1.00 11.33 O ATOM 899 ND2 ASN A 54 26.912 6.040 -3.478 1.00 22.12 N ATOM 0 H ASN A 54 23.766 7.861 -4.371 1.00 11.40 H new ATOM 0 HA ASN A 54 25.368 8.945 -2.277 1.00 51.43 H new ATOM 0 HB2 ASN A 54 25.696 7.662 -4.899 1.00 23.24 H new ATOM 0 HB3 ASN A 54 26.857 8.952 -4.656 1.00 23.24 H new ATOM 0 HD21 ASN A 54 27.446 5.377 -2.917 1.00 22.12 H new ATOM 0 HD22 ASN A 54 26.289 5.702 -4.212 1.00 22.12 H new ATOM 906 N GLU A 55 24.526 10.898 -4.776 1.00 13.43 N ATOM 907 CA GLU A 55 24.512 12.283 -5.234 1.00 64.52 C ATOM 908 C GLU A 55 24.111 13.226 -4.104 1.00 52.12 C ATOM 909 O GLU A 55 24.851 14.146 -3.756 1.00 53.41 O ATOM 910 CB GLU A 55 23.551 12.443 -6.414 1.00 10.24 C ATOM 911 CG GLU A 55 23.748 11.404 -7.505 1.00 15.50 C ATOM 912 CD GLU A 55 22.935 11.705 -8.749 1.00 71.15 C ATOM 913 OE1 GLU A 55 21.974 12.496 -8.653 1.00 14.53 O ATOM 914 OE2 GLU A 55 23.259 11.149 -9.819 1.00 64.23 O ATOM 0 H GLU A 55 23.958 10.262 -5.337 1.00 13.43 H new ATOM 0 HA GLU A 55 25.520 12.542 -5.558 1.00 64.52 H new ATOM 0 HB2 GLU A 55 22.526 12.383 -6.048 1.00 10.24 H new ATOM 0 HB3 GLU A 55 23.678 13.437 -6.843 1.00 10.24 H new ATOM 0 HG2 GLU A 55 24.804 11.355 -7.769 1.00 15.50 H new ATOM 0 HG3 GLU A 55 23.469 10.422 -7.122 1.00 15.50 H new ATOM 921 N VAL A 56 22.933 12.991 -3.535 1.00 74.12 N ATOM 922 CA VAL A 56 22.432 13.818 -2.444 1.00 54.44 C ATOM 923 C VAL A 56 23.357 13.752 -1.235 1.00 1.43 C ATOM 924 O VAL A 56 23.414 14.683 -0.431 1.00 3.21 O ATOM 925 CB VAL A 56 21.016 13.388 -2.018 1.00 33.42 C ATOM 926 CG1 VAL A 56 21.033 11.971 -1.463 1.00 54.40 C ATOM 927 CG2 VAL A 56 20.448 14.362 -0.997 1.00 54.11 C ATOM 0 H VAL A 56 22.308 12.234 -3.812 1.00 74.12 H new ATOM 0 HA VAL A 56 22.396 14.843 -2.814 1.00 54.44 H new ATOM 0 HB VAL A 56 20.371 13.401 -2.897 1.00 33.42 H new ATOM 0 HG11 VAL A 56 20.024 11.684 -1.167 1.00 54.40 H new ATOM 0 HG12 VAL A 56 21.396 11.285 -2.228 1.00 54.40 H new ATOM 0 HG13 VAL A 56 21.692 11.928 -0.596 1.00 54.40 H new ATOM 0 HG21 VAL A 56 19.447 14.043 -0.707 1.00 54.11 H new ATOM 0 HG22 VAL A 56 21.091 14.383 -0.117 1.00 54.11 H new ATOM 0 HG23 VAL A 56 20.398 15.359 -1.434 1.00 54.11 H new ATOM 937 N LYS A 57 24.082 12.646 -1.111 1.00 32.41 N ATOM 938 CA LYS A 57 25.008 12.457 0.000 1.00 75.23 C ATOM 939 C LYS A 57 26.301 13.232 -0.232 1.00 74.11 C ATOM 940 O LYS A 57 26.964 13.647 0.717 1.00 22.24 O ATOM 941 CB LYS A 57 25.318 10.970 0.185 1.00 71.34 C ATOM 942 CG LYS A 57 26.542 10.706 1.044 1.00 44.31 C ATOM 943 CD LYS A 57 26.384 11.294 2.436 1.00 53.41 C ATOM 944 CE LYS A 57 26.263 10.205 3.491 1.00 44.22 C ATOM 945 NZ LYS A 57 27.463 9.323 3.517 1.00 40.33 N ATOM 0 H LYS A 57 24.046 11.866 -1.767 1.00 32.41 H new ATOM 0 HA LYS A 57 24.534 12.838 0.905 1.00 75.23 H new ATOM 0 HB2 LYS A 57 24.455 10.481 0.637 1.00 71.34 H new ATOM 0 HB3 LYS A 57 25.466 10.514 -0.794 1.00 71.34 H new ATOM 0 HG2 LYS A 57 26.710 9.632 1.119 1.00 44.31 H new ATOM 0 HG3 LYS A 57 27.423 11.134 0.565 1.00 44.31 H new ATOM 0 HD2 LYS A 57 27.241 11.929 2.663 1.00 53.41 H new ATOM 0 HD3 LYS A 57 25.499 11.930 2.465 1.00 53.41 H new ATOM 0 HE2 LYS A 57 26.127 10.662 4.471 1.00 44.22 H new ATOM 0 HE3 LYS A 57 25.375 9.605 3.293 1.00 44.22 H new ATOM 0 HZ1 LYS A 57 27.616 8.973 4.484 1.00 40.33 H new ATOM 0 HZ2 LYS A 57 27.315 8.517 2.877 1.00 40.33 H new ATOM 0 HZ3 LYS A 57 28.297 9.862 3.208 1.00 40.33 H new ATOM 959 N GLU A 58 26.651 13.424 -1.500 1.00 50.30 N ATOM 960 CA GLU A 58 27.865 14.151 -1.855 1.00 33.53 C ATOM 961 C GLU A 58 27.775 15.608 -1.413 1.00 0.41 C ATOM 962 O GLU A 58 28.651 16.109 -0.707 1.00 32.34 O ATOM 963 CB GLU A 58 28.107 14.077 -3.364 1.00 13.42 C ATOM 964 CG GLU A 58 28.680 12.748 -3.825 1.00 34.34 C ATOM 965 CD GLU A 58 29.474 12.869 -5.110 1.00 43.14 C ATOM 966 OE1 GLU A 58 28.872 12.733 -6.196 1.00 22.12 O ATOM 967 OE2 GLU A 58 30.699 13.101 -5.030 1.00 70.34 O ATOM 0 H GLU A 58 26.112 13.087 -2.298 1.00 50.30 H new ATOM 0 HA GLU A 58 28.703 13.684 -1.337 1.00 33.53 H new ATOM 0 HB2 GLU A 58 27.166 14.257 -3.883 1.00 13.42 H new ATOM 0 HB3 GLU A 58 28.789 14.877 -3.654 1.00 13.42 H new ATOM 0 HG2 GLU A 58 29.322 12.343 -3.043 1.00 34.34 H new ATOM 0 HG3 GLU A 58 27.867 12.037 -3.971 1.00 34.34 H new ATOM 974 N ILE A 59 26.711 16.284 -1.835 1.00 23.25 N ATOM 975 CA ILE A 59 26.507 17.683 -1.482 1.00 52.44 C ATOM 976 C ILE A 59 26.454 17.868 0.030 1.00 23.45 C ATOM 977 O ILE A 59 26.831 18.918 0.553 1.00 73.24 O ATOM 978 CB ILE A 59 25.209 18.236 -2.101 1.00 31.42 C ATOM 979 CG1 ILE A 59 23.991 17.541 -1.488 1.00 53.34 C ATOM 980 CG2 ILE A 59 25.224 18.056 -3.611 1.00 52.25 C ATOM 981 CD1 ILE A 59 22.671 18.066 -2.009 1.00 11.33 C ATOM 0 H ILE A 59 25.978 15.885 -2.421 1.00 23.25 H new ATOM 0 HA ILE A 59 27.357 18.236 -1.883 1.00 52.44 H new ATOM 0 HB ILE A 59 25.144 19.302 -1.883 1.00 31.42 H new ATOM 0 HG12 ILE A 59 24.053 16.472 -1.690 1.00 53.34 H new ATOM 0 HG13 ILE A 59 24.020 17.663 -0.405 1.00 53.34 H new ATOM 0 HG21 ILE A 59 24.300 18.451 -4.034 1.00 52.25 H new ATOM 0 HG22 ILE A 59 26.075 18.591 -4.033 1.00 52.25 H new ATOM 0 HG23 ILE A 59 25.308 16.996 -3.850 1.00 52.25 H new ATOM 0 HD11 ILE A 59 21.852 17.528 -1.532 1.00 11.33 H new ATOM 0 HD12 ILE A 59 22.588 19.129 -1.783 1.00 11.33 H new ATOM 0 HD13 ILE A 59 22.621 17.919 -3.088 1.00 11.33 H new ATOM 993 N LEU A 60 25.987 16.840 0.730 1.00 32.41 N ATOM 994 CA LEU A 60 25.887 16.886 2.185 1.00 52.43 C ATOM 995 C LEU A 60 27.264 17.043 2.821 1.00 44.35 C ATOM 996 O LEU A 60 27.470 17.906 3.674 1.00 4.12 O ATOM 997 CB LEU A 60 25.211 15.618 2.710 1.00 4.42 C ATOM 998 CG LEU A 60 23.684 15.595 2.645 1.00 51.24 C ATOM 999 CD1 LEU A 60 23.147 14.272 3.167 1.00 23.34 C ATOM 1000 CD2 LEU A 60 23.099 16.758 3.432 1.00 55.41 C ATOM 0 H LEU A 60 25.671 15.964 0.314 1.00 32.41 H new ATOM 0 HA LEU A 60 25.282 17.751 2.456 1.00 52.43 H new ATOM 0 HB2 LEU A 60 25.591 14.767 2.145 1.00 4.42 H new ATOM 0 HB3 LEU A 60 25.513 15.472 3.747 1.00 4.42 H new ATOM 0 HG LEU A 60 23.383 15.700 1.603 1.00 51.24 H new ATOM 0 HD11 LEU A 60 22.058 14.274 3.113 1.00 23.34 H new ATOM 0 HD12 LEU A 60 23.539 13.456 2.560 1.00 23.34 H new ATOM 0 HD13 LEU A 60 23.458 14.136 4.203 1.00 23.34 H new ATOM 0 HD21 LEU A 60 22.011 16.726 3.375 1.00 55.41 H new ATOM 0 HD22 LEU A 60 23.410 16.685 4.474 1.00 55.41 H new ATOM 0 HD23 LEU A 60 23.457 17.698 3.012 1.00 55.41 H new ATOM 1012 N ASP A 61 28.204 16.205 2.397 1.00 3.43 N ATOM 1013 CA ASP A 61 29.564 16.253 2.923 1.00 71.03 C ATOM 1014 C ASP A 61 30.166 17.643 2.746 1.00 44.22 C ATOM 1015 O ASP A 61 31.061 18.042 3.491 1.00 3.44 O ATOM 1016 CB ASP A 61 30.440 15.211 2.225 1.00 52.31 C ATOM 1017 CG ASP A 61 31.791 15.050 2.893 1.00 21.11 C ATOM 1018 OD1 ASP A 61 31.973 15.594 4.002 1.00 12.01 O ATOM 1019 OD2 ASP A 61 32.667 14.380 2.307 1.00 42.35 O ATOM 0 H ASP A 61 28.050 15.485 1.691 1.00 3.43 H new ATOM 0 HA ASP A 61 29.524 16.027 3.989 1.00 71.03 H new ATOM 0 HB2 ASP A 61 29.924 14.251 2.220 1.00 52.31 H new ATOM 0 HB3 ASP A 61 30.585 15.501 1.184 1.00 52.31 H new ATOM 1024 N TYR A 62 29.671 18.375 1.754 1.00 10.23 N ATOM 1025 CA TYR A 62 30.163 19.719 1.477 1.00 12.50 C ATOM 1026 C TYR A 62 29.436 20.753 2.332 1.00 32.21 C ATOM 1027 O TYR A 62 29.967 21.828 2.614 1.00 71.43 O ATOM 1028 CB TYR A 62 29.988 20.054 -0.005 1.00 73.44 C ATOM 1029 CG TYR A 62 30.041 21.535 -0.303 1.00 0.15 C ATOM 1030 CD1 TYR A 62 31.225 22.249 -0.168 1.00 24.21 C ATOM 1031 CD2 TYR A 62 28.907 22.221 -0.719 1.00 54.20 C ATOM 1032 CE1 TYR A 62 31.278 23.603 -0.438 1.00 23.54 C ATOM 1033 CE2 TYR A 62 28.951 23.575 -0.992 1.00 74.44 C ATOM 1034 CZ TYR A 62 30.138 24.261 -0.850 1.00 25.13 C ATOM 1035 OH TYR A 62 30.187 25.609 -1.121 1.00 4.13 O ATOM 0 H TYR A 62 28.929 18.060 1.128 1.00 10.23 H new ATOM 0 HA TYR A 62 31.224 19.748 1.727 1.00 12.50 H new ATOM 0 HB2 TYR A 62 30.766 19.549 -0.577 1.00 73.44 H new ATOM 0 HB3 TYR A 62 29.032 19.657 -0.348 1.00 73.44 H new ATOM 0 HD1 TYR A 62 32.120 21.737 0.154 1.00 24.21 H new ATOM 0 HD2 TYR A 62 27.975 21.687 -0.831 1.00 54.20 H new ATOM 0 HE1 TYR A 62 32.207 24.143 -0.327 1.00 23.54 H new ATOM 0 HE2 TYR A 62 28.060 24.093 -1.315 1.00 74.44 H new ATOM 0 HH TYR A 62 29.300 25.919 -1.400 1.00 4.13 H new ATOM 1045 N HIS A 63 28.217 20.419 2.743 1.00 35.11 N ATOM 1046 CA HIS A 63 27.415 21.316 3.568 1.00 42.43 C ATOM 1047 C HIS A 63 28.094 21.572 4.910 1.00 32.11 C ATOM 1048 O HIS A 63 27.860 22.597 5.551 1.00 31.20 O ATOM 1049 CB HIS A 63 26.021 20.729 3.791 1.00 2.33 C ATOM 1050 CG HIS A 63 25.191 20.667 2.546 1.00 12.14 C ATOM 1051 ND1 HIS A 63 24.043 19.910 2.445 1.00 54.43 N ATOM 1052 CD2 HIS A 63 25.347 21.274 1.347 1.00 52.51 C ATOM 1053 CE1 HIS A 63 23.529 20.054 1.236 1.00 21.40 C ATOM 1054 NE2 HIS A 63 24.301 20.877 0.550 1.00 24.21 N ATOM 0 H HIS A 63 27.763 19.534 2.518 1.00 35.11 H new ATOM 0 HA HIS A 63 27.320 22.266 3.042 1.00 42.43 H new ATOM 0 HB2 HIS A 63 26.120 19.724 4.202 1.00 2.33 H new ATOM 0 HB3 HIS A 63 25.498 21.328 4.537 1.00 2.33 H new ATOM 0 HD2 HIS A 63 26.145 21.946 1.068 1.00 52.51 H new ATOM 0 HE1 HIS A 63 22.630 19.579 0.871 1.00 21.40 H new ATOM 0 HE2 HIS A 63 24.146 21.170 -0.415 1.00 24.21 H new ATOM 1062 N LYS A 64 28.935 20.633 5.331 1.00 52.24 N ATOM 1063 CA LYS A 64 29.648 20.756 6.596 1.00 23.32 C ATOM 1064 C LYS A 64 30.913 21.593 6.429 1.00 34.43 C ATOM 1065 O LYS A 64 31.386 22.215 7.380 1.00 40.44 O ATOM 1066 CB LYS A 64 30.009 19.371 7.138 1.00 34.33 C ATOM 1067 CG LYS A 64 28.800 18.504 7.445 1.00 55.11 C ATOM 1068 CD LYS A 64 29.179 17.037 7.559 1.00 42.22 C ATOM 1069 CE LYS A 64 30.169 16.804 8.690 1.00 61.12 C ATOM 1070 NZ LYS A 64 30.596 15.379 8.768 1.00 3.40 N ATOM 0 H LYS A 64 29.139 19.778 4.814 1.00 52.24 H new ATOM 0 HA LYS A 64 28.992 21.259 7.307 1.00 23.32 H new ATOM 0 HB2 LYS A 64 30.638 18.858 6.411 1.00 34.33 H new ATOM 0 HB3 LYS A 64 30.601 19.488 8.045 1.00 34.33 H new ATOM 0 HG2 LYS A 64 28.341 18.835 8.376 1.00 55.11 H new ATOM 0 HG3 LYS A 64 28.054 18.628 6.660 1.00 55.11 H new ATOM 0 HD2 LYS A 64 28.283 16.441 7.730 1.00 42.22 H new ATOM 0 HD3 LYS A 64 29.613 16.698 6.618 1.00 42.22 H new ATOM 0 HE2 LYS A 64 31.044 17.438 8.544 1.00 61.12 H new ATOM 0 HE3 LYS A 64 29.716 17.100 9.636 1.00 61.12 H new ATOM 0 HZ1 LYS A 64 31.270 15.261 9.551 1.00 3.40 H new ATOM 0 HZ2 LYS A 64 29.765 14.776 8.933 1.00 3.40 H new ATOM 0 HZ3 LYS A 64 31.051 15.104 7.874 1.00 3.40 H new ATOM 1084 N SER A 65 31.454 21.603 5.215 1.00 13.43 N ATOM 1085 CA SER A 65 32.665 22.362 4.925 1.00 53.12 C ATOM 1086 C SER A 65 32.426 23.858 5.108 1.00 33.33 C ATOM 1087 O SER A 65 33.151 24.528 5.844 1.00 64.51 O ATOM 1088 CB SER A 65 33.138 22.081 3.497 1.00 11.14 C ATOM 1089 OG SER A 65 33.624 20.756 3.373 1.00 63.11 O ATOM 0 H SER A 65 31.073 21.095 4.417 1.00 13.43 H new ATOM 0 HA SER A 65 33.438 22.047 5.626 1.00 53.12 H new ATOM 0 HB2 SER A 65 32.314 22.236 2.800 1.00 11.14 H new ATOM 0 HB3 SER A 65 33.923 22.787 3.225 1.00 11.14 H new ATOM 0 HG SER A 65 33.919 20.601 2.451 1.00 63.11 H new ATOM 1095 N ILE A 66 31.404 24.374 4.434 1.00 13.13 N ATOM 1096 CA ILE A 66 31.068 25.790 4.523 1.00 31.33 C ATOM 1097 C ILE A 66 30.189 26.071 5.737 1.00 33.01 C ATOM 1098 O ILE A 66 29.854 27.221 6.021 1.00 41.32 O ATOM 1099 CB ILE A 66 30.343 26.277 3.255 1.00 43.23 C ATOM 1100 CG1 ILE A 66 28.846 25.976 3.349 1.00 41.24 C ATOM 1101 CG2 ILE A 66 30.944 25.625 2.018 1.00 14.12 C ATOM 1102 CD1 ILE A 66 28.533 24.501 3.470 1.00 13.43 C ATOM 0 H ILE A 66 30.794 23.833 3.821 1.00 13.13 H new ATOM 0 HA ILE A 66 32.008 26.332 4.625 1.00 31.33 H new ATOM 0 HB ILE A 66 30.472 27.356 3.172 1.00 43.23 H new ATOM 0 HG12 ILE A 66 28.432 26.499 4.211 1.00 41.24 H new ATOM 0 HG13 ILE A 66 28.347 26.374 2.465 1.00 41.24 H new ATOM 0 HG21 ILE A 66 30.421 25.979 1.130 1.00 14.12 H new ATOM 0 HG22 ILE A 66 32.000 25.886 1.946 1.00 14.12 H new ATOM 0 HG23 ILE A 66 30.842 24.542 2.092 1.00 14.12 H new ATOM 0 HD11 ILE A 66 27.454 24.362 3.532 1.00 13.43 H new ATOM 0 HD12 ILE A 66 28.917 23.975 2.596 1.00 13.43 H new ATOM 0 HD13 ILE A 66 29.003 24.102 4.369 1.00 13.43 H new ATOM 1114 N ARG A 67 29.819 25.013 6.451 1.00 23.32 N ATOM 1115 CA ARG A 67 28.979 25.146 7.635 1.00 23.44 C ATOM 1116 C ARG A 67 29.536 26.206 8.581 1.00 42.13 C ATOM 1117 O ARG A 67 28.784 26.896 9.269 1.00 35.02 O ATOM 1118 CB ARG A 67 28.871 23.804 8.363 1.00 3.42 C ATOM 1119 CG ARG A 67 28.104 23.882 9.673 1.00 40.20 C ATOM 1120 CD ARG A 67 26.669 24.335 9.452 1.00 42.00 C ATOM 1121 NE ARG A 67 25.725 23.584 10.275 1.00 3.03 N ATOM 1122 CZ ARG A 67 24.408 23.746 10.217 1.00 62.04 C ATOM 1123 NH1 ARG A 67 23.882 24.627 9.377 1.00 1.33 N ATOM 1124 NH2 ARG A 67 23.614 23.025 10.998 1.00 4.11 N ATOM 0 H ARG A 67 30.088 24.054 6.230 1.00 23.32 H new ATOM 0 HA ARG A 67 27.986 25.458 7.312 1.00 23.44 H new ATOM 0 HB2 ARG A 67 28.382 23.083 7.708 1.00 3.42 H new ATOM 0 HB3 ARG A 67 29.874 23.426 8.561 1.00 3.42 H new ATOM 0 HG2 ARG A 67 28.108 22.905 10.157 1.00 40.20 H new ATOM 0 HG3 ARG A 67 28.605 24.575 10.349 1.00 40.20 H new ATOM 0 HD2 ARG A 67 26.585 25.397 9.682 1.00 42.00 H new ATOM 0 HD3 ARG A 67 26.409 24.215 8.400 1.00 42.00 H new ATOM 0 HE ARG A 67 26.098 22.897 10.931 1.00 3.03 H new ATOM 0 HH11 ARG A 67 24.489 25.182 8.774 1.00 1.33 H new ATOM 0 HH12 ARG A 67 22.870 24.750 9.334 1.00 1.33 H new ATOM 0 HH21 ARG A 67 24.015 22.345 11.644 1.00 4.11 H new ATOM 0 HH22 ARG A 67 22.603 23.151 10.952 1.00 4.11 H new ATOM 1138 N HIS A 68 30.859 26.330 8.609 1.00 4.11 N ATOM 1139 CA HIS A 68 31.517 27.307 9.470 1.00 64.40 C ATOM 1140 C HIS A 68 30.926 28.698 9.264 1.00 21.13 C ATOM 1141 O HIS A 68 30.873 29.505 10.193 1.00 2.03 O ATOM 1142 CB HIS A 68 33.021 27.332 9.192 1.00 54.34 C ATOM 1143 CG HIS A 68 33.796 26.334 9.995 1.00 12.45 C ATOM 1144 ND1 HIS A 68 34.415 26.646 11.188 1.00 51.05 N ATOM 1145 CD2 HIS A 68 34.049 25.023 9.773 1.00 2.41 C ATOM 1146 CE1 HIS A 68 35.017 25.570 11.663 1.00 50.52 C ATOM 1147 NE2 HIS A 68 34.810 24.572 10.823 1.00 31.14 N ATOM 0 H HIS A 68 31.496 25.767 8.046 1.00 4.11 H new ATOM 0 HA HIS A 68 31.352 27.011 10.506 1.00 64.40 H new ATOM 0 HB2 HIS A 68 33.189 27.142 8.132 1.00 54.34 H new ATOM 0 HB3 HIS A 68 33.404 28.331 9.402 1.00 54.34 H new ATOM 0 HD2 HIS A 68 33.715 24.440 8.927 1.00 2.41 H new ATOM 0 HE1 HIS A 68 35.582 25.516 12.582 1.00 50.52 H new ATOM 0 HE2 HIS A 68 35.159 23.620 10.936 1.00 31.14 H new ATOM 1155 N LEU A 69 30.483 28.972 8.042 1.00 2.43 N ATOM 1156 CA LEU A 69 29.896 30.267 7.714 1.00 30.12 C ATOM 1157 C LEU A 69 28.417 30.304 8.086 1.00 2.13 C ATOM 1158 O LEU A 69 27.894 31.343 8.489 1.00 43.31 O ATOM 1159 CB LEU A 69 30.066 30.563 6.223 1.00 31.21 C ATOM 1160 CG LEU A 69 31.504 30.583 5.702 1.00 15.24 C ATOM 1161 CD1 LEU A 69 31.529 30.378 4.196 1.00 75.12 C ATOM 1162 CD2 LEU A 69 32.187 31.890 6.076 1.00 44.42 C ATOM 0 H LEU A 69 30.519 28.315 7.262 1.00 2.43 H new ATOM 0 HA LEU A 69 30.416 31.031 8.291 1.00 30.12 H new ATOM 0 HB2 LEU A 69 29.507 29.817 5.659 1.00 31.21 H new ATOM 0 HB3 LEU A 69 29.610 31.530 6.011 1.00 31.21 H new ATOM 0 HG LEU A 69 32.051 29.763 6.168 1.00 15.24 H new ATOM 0 HD11 LEU A 69 32.560 30.395 3.844 1.00 75.12 H new ATOM 0 HD12 LEU A 69 31.078 29.416 3.952 1.00 75.12 H new ATOM 0 HD13 LEU A 69 30.966 31.176 3.711 1.00 75.12 H new ATOM 0 HD21 LEU A 69 33.209 31.888 5.698 1.00 44.42 H new ATOM 0 HD22 LEU A 69 31.640 32.725 5.638 1.00 44.42 H new ATOM 0 HD23 LEU A 69 32.202 31.995 7.161 1.00 44.42 H new ATOM 1174 N ARG A 70 27.749 29.163 7.951 1.00 44.11 N ATOM 1175 CA ARG A 70 26.331 29.065 8.274 1.00 61.02 C ATOM 1176 C ARG A 70 26.114 29.100 9.784 1.00 55.33 C ATOM 1177 O ARG A 70 25.045 29.482 10.258 1.00 13.14 O ATOM 1178 CB ARG A 70 25.742 27.778 7.693 1.00 53.42 C ATOM 1179 CG ARG A 70 26.161 27.511 6.257 1.00 72.25 C ATOM 1180 CD ARG A 70 25.020 26.919 5.444 1.00 34.44 C ATOM 1181 NE ARG A 70 23.875 27.822 5.370 1.00 53.14 N ATOM 1182 CZ ARG A 70 23.840 28.902 4.597 1.00 2.55 C ATOM 1183 NH1 ARG A 70 24.882 29.212 3.838 1.00 71.12 N ATOM 1184 NH2 ARG A 70 22.762 29.676 4.584 1.00 71.42 N ATOM 0 H ARG A 70 28.167 28.294 7.620 1.00 44.11 H new ATOM 0 HA ARG A 70 25.823 29.922 7.831 1.00 61.02 H new ATOM 0 HB2 ARG A 70 26.047 26.936 8.314 1.00 53.42 H new ATOM 0 HB3 ARG A 70 24.654 27.832 7.741 1.00 53.42 H new ATOM 0 HG2 ARG A 70 26.494 28.441 5.795 1.00 72.25 H new ATOM 0 HG3 ARG A 70 27.010 26.827 6.246 1.00 72.25 H new ATOM 0 HD2 ARG A 70 25.371 26.695 4.437 1.00 34.44 H new ATOM 0 HD3 ARG A 70 24.709 25.975 5.890 1.00 34.44 H new ATOM 0 HE ARG A 70 23.058 27.612 5.943 1.00 53.14 H new ATOM 0 HH11 ARG A 70 25.713 28.621 3.847 1.00 71.12 H new ATOM 0 HH12 ARG A 70 24.852 30.042 3.245 1.00 71.12 H new ATOM 0 HH21 ARG A 70 21.959 29.442 5.168 1.00 71.42 H new ATOM 0 HH22 ARG A 70 22.736 30.505 3.990 1.00 71.42 H new