USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 558 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 6 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 ASN : amide:sc= -2.58! C(o=-2.6!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -1.62 (180deg=-1.62) USER MOD Single : A 15 TYR OH : rot -35:sc= -2.35! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0335 F(o=-1.7!,f=-0.033) USER MOD Single : A 24 THR OG1 : rot -68:sc= 0.322 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -24:sc= 0.627 USER MOD Single : A 32 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.148) USER MOD Single : A 37 GLN : amide:sc= -6.56! C(o=-6.6!,f=-6.8!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= -0.228 (180deg=-1.16!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 56 SER OG : rot -25:sc= -2.64! USER MOD Single : A 57 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.15) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.22! C(o=-2.9!,f=-1.2!) USER MOD Single : A 69 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-0.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.598 -4.170 -21.422 1.00 31.41 N ATOM 2 CA GLY A 1 -21.642 -3.467 -20.521 1.00 29.89 C ATOM 3 C GLY A 1 -20.560 -4.434 -20.030 1.00 28.43 C ATOM 4 O GLY A 1 -20.832 -5.349 -19.278 1.00 29.17 O ATOM 0 H1 GLY A 1 -23.325 -3.501 -21.746 1.00 31.41 H new ATOM 0 H2 GLY A 1 -22.086 -4.550 -22.244 1.00 31.41 H new ATOM 0 H3 GLY A 1 -23.051 -4.951 -20.906 1.00 31.41 H new ATOM 0 HA2 GLY A 1 -21.180 -2.633 -21.050 1.00 29.89 H new ATOM 0 HA3 GLY A 1 -22.177 -3.047 -19.669 1.00 29.89 H new ATOM 10 N SER A 2 -19.356 -4.207 -20.473 1.00 26.53 N ATOM 11 CA SER A 2 -18.232 -5.090 -20.054 1.00 25.05 C ATOM 12 C SER A 2 -16.897 -4.345 -20.178 1.00 22.50 C ATOM 13 O SER A 2 -16.064 -4.689 -20.994 1.00 21.75 O ATOM 14 CB SER A 2 -18.217 -6.297 -20.998 1.00 26.16 C ATOM 15 OG SER A 2 -17.457 -7.276 -20.304 1.00 26.61 O ATOM 0 H SER A 2 -19.101 -3.449 -21.106 1.00 26.53 H new ATOM 0 HA SER A 2 -18.365 -5.398 -19.017 1.00 25.05 H new ATOM 0 HB2 SER A 2 -19.226 -6.651 -21.207 1.00 26.16 H new ATOM 0 HB3 SER A 2 -17.763 -6.047 -21.957 1.00 26.16 H new ATOM 0 HG SER A 2 -17.400 -8.091 -20.846 1.00 26.61 H new ATOM 21 N PRO A 3 -16.720 -3.341 -19.346 1.00 21.24 N ATOM 22 CA PRO A 3 -15.491 -2.527 -19.348 1.00 18.80 C ATOM 23 C PRO A 3 -14.273 -3.261 -18.770 1.00 17.02 C ATOM 24 O PRO A 3 -14.113 -3.352 -17.569 1.00 16.71 O ATOM 25 CB PRO A 3 -15.825 -1.328 -18.440 1.00 18.20 C ATOM 26 CG PRO A 3 -17.184 -1.621 -17.758 1.00 20.24 C ATOM 27 CD PRO A 3 -17.724 -2.933 -18.340 1.00 22.18 C ATOM 0 HA PRO A 3 -15.220 -2.261 -20.370 1.00 18.80 H new ATOM 0 HB2 PRO A 3 -15.045 -1.185 -17.693 1.00 18.20 H new ATOM 0 HB3 PRO A 3 -15.880 -0.409 -19.024 1.00 18.20 H new ATOM 0 HG2 PRO A 3 -17.060 -1.704 -16.678 1.00 20.24 H new ATOM 0 HG3 PRO A 3 -17.885 -0.806 -17.937 1.00 20.24 H new ATOM 0 HD2 PRO A 3 -17.839 -3.692 -17.566 1.00 22.18 H new ATOM 0 HD3 PRO A 3 -18.704 -2.790 -18.795 1.00 22.18 H new ATOM 35 N THR A 4 -13.443 -3.764 -19.643 1.00 16.09 N ATOM 36 CA THR A 4 -12.223 -4.492 -19.183 1.00 14.37 C ATOM 37 C THR A 4 -12.519 -5.649 -18.221 1.00 12.80 C ATOM 38 O THR A 4 -13.655 -5.948 -17.914 1.00 13.00 O ATOM 39 CB THR A 4 -11.336 -3.475 -18.454 1.00 13.61 C ATOM 40 OG1 THR A 4 -11.699 -2.216 -18.990 1.00 14.98 O ATOM 41 CG2 THR A 4 -9.865 -3.649 -18.846 1.00 13.84 C ATOM 0 H THR A 4 -13.556 -3.703 -20.655 1.00 16.09 H new ATOM 0 HA THR A 4 -11.746 -4.929 -20.060 1.00 14.37 H new ATOM 0 HB THR A 4 -11.458 -3.584 -17.376 1.00 13.61 H new ATOM 0 HG1 THR A 4 -11.166 -1.513 -18.563 1.00 14.98 H new ATOM 0 HG21 THR A 4 -9.258 -2.916 -18.315 1.00 13.84 H new ATOM 0 HG22 THR A 4 -9.534 -4.654 -18.582 1.00 13.84 H new ATOM 0 HG23 THR A 4 -9.755 -3.502 -19.920 1.00 13.84 H new ATOM 49 N PHE A 5 -11.451 -6.264 -17.774 1.00 11.38 N ATOM 50 CA PHE A 5 -11.550 -7.412 -16.831 1.00 10.14 C ATOM 51 C PHE A 5 -10.261 -7.475 -15.997 1.00 7.82 C ATOM 52 O PHE A 5 -9.754 -6.453 -15.589 1.00 7.24 O ATOM 53 CB PHE A 5 -11.685 -8.693 -17.676 1.00 11.21 C ATOM 54 CG PHE A 5 -12.582 -9.717 -16.967 1.00 12.08 C ATOM 55 CD1 PHE A 5 -12.534 -9.885 -15.592 1.00 13.09 C ATOM 56 CD2 PHE A 5 -13.435 -10.518 -17.709 1.00 12.20 C ATOM 57 CE1 PHE A 5 -13.320 -10.838 -14.976 1.00 14.45 C ATOM 58 CE2 PHE A 5 -14.220 -11.470 -17.089 1.00 13.37 C ATOM 59 CZ PHE A 5 -14.161 -11.631 -15.723 1.00 14.61 C ATOM 0 H PHE A 5 -10.497 -6.010 -18.031 1.00 11.38 H new ATOM 0 HA PHE A 5 -12.405 -7.306 -16.163 1.00 10.14 H new ATOM 0 HB2 PHE A 5 -12.104 -8.449 -18.652 1.00 11.21 H new ATOM 0 HB3 PHE A 5 -10.700 -9.125 -17.851 1.00 11.21 H new ATOM 0 HD1 PHE A 5 -11.877 -9.266 -14.999 1.00 13.09 H new ATOM 0 HD2 PHE A 5 -13.486 -10.397 -18.781 1.00 12.20 H new ATOM 0 HE1 PHE A 5 -13.275 -10.962 -13.904 1.00 14.45 H new ATOM 0 HE2 PHE A 5 -14.881 -12.089 -17.677 1.00 13.37 H new ATOM 0 HZ PHE A 5 -14.773 -12.378 -15.239 1.00 14.61 H new ATOM 69 N LYS A 6 -9.750 -8.659 -15.771 1.00 6.87 N ATOM 70 CA LYS A 6 -8.495 -8.789 -14.966 1.00 4.61 C ATOM 71 C LYS A 6 -8.486 -7.847 -13.762 1.00 3.40 C ATOM 72 O LYS A 6 -8.217 -6.670 -13.891 1.00 3.63 O ATOM 73 CB LYS A 6 -7.311 -8.433 -15.868 1.00 4.14 C ATOM 74 CG LYS A 6 -7.339 -9.329 -17.114 1.00 4.52 C ATOM 75 CD LYS A 6 -5.910 -9.711 -17.529 1.00 4.89 C ATOM 76 CE LYS A 6 -5.168 -8.464 -18.027 1.00 3.19 C ATOM 77 NZ LYS A 6 -3.710 -8.744 -18.168 1.00 2.70 N ATOM 0 H LYS A 6 -10.144 -9.538 -16.107 1.00 6.87 H new ATOM 0 HA LYS A 6 -8.430 -9.812 -14.595 1.00 4.61 H new ATOM 0 HB2 LYS A 6 -7.362 -7.384 -16.159 1.00 4.14 H new ATOM 0 HB3 LYS A 6 -6.374 -8.569 -15.329 1.00 4.14 H new ATOM 0 HG2 LYS A 6 -7.918 -10.229 -16.910 1.00 4.52 H new ATOM 0 HG3 LYS A 6 -7.836 -8.809 -17.933 1.00 4.52 H new ATOM 0 HD2 LYS A 6 -5.380 -10.149 -16.683 1.00 4.89 H new ATOM 0 HD3 LYS A 6 -5.938 -10.467 -18.313 1.00 4.89 H new ATOM 0 HE2 LYS A 6 -5.578 -8.149 -18.987 1.00 3.19 H new ATOM 0 HE3 LYS A 6 -5.320 -7.640 -17.329 1.00 3.19 H new ATOM 0 HZ1 LYS A 6 -3.269 -8.003 -18.750 1.00 2.70 H new ATOM 0 HZ2 LYS A 6 -3.266 -8.756 -17.228 1.00 2.70 H new ATOM 0 HZ3 LYS A 6 -3.577 -9.668 -18.625 1.00 2.70 H new ATOM 91 N CYS A 7 -8.746 -8.401 -12.607 1.00 2.42 N ATOM 92 CA CYS A 7 -8.764 -7.569 -11.369 1.00 1.18 C ATOM 93 C CYS A 7 -7.660 -7.984 -10.396 1.00 0.84 C ATOM 94 O CYS A 7 -6.889 -8.884 -10.669 1.00 0.67 O ATOM 95 CB CYS A 7 -10.121 -7.776 -10.685 1.00 1.18 C ATOM 96 SG CYS A 7 -11.358 -6.466 -10.873 1.00 1.51 S ATOM 0 H CYS A 7 -8.946 -9.391 -12.468 1.00 2.42 H new ATOM 0 HA CYS A 7 -8.601 -6.526 -11.642 1.00 1.18 H new ATOM 0 HB2 CYS A 7 -10.552 -8.703 -11.064 1.00 1.18 H new ATOM 0 HB3 CYS A 7 -9.943 -7.920 -9.619 1.00 1.18 H new ATOM 0 HG CYS A 7 -12.443 -6.799 -10.238 1.00 1.51 H new ATOM 102 N ALA A 8 -7.611 -7.303 -9.279 1.00 1.11 N ATOM 103 CA ALA A 8 -6.578 -7.615 -8.249 1.00 0.84 C ATOM 104 C ALA A 8 -7.242 -7.830 -6.888 1.00 0.80 C ATOM 105 O ALA A 8 -8.451 -7.898 -6.796 1.00 1.26 O ATOM 106 CB ALA A 8 -5.617 -6.421 -8.152 1.00 1.13 C ATOM 0 H ALA A 8 -8.245 -6.542 -9.037 1.00 1.11 H new ATOM 0 HA ALA A 8 -6.042 -8.521 -8.530 1.00 0.84 H new ATOM 0 HB1 ALA A 8 -4.853 -6.629 -7.403 1.00 1.13 H new ATOM 0 HB2 ALA A 8 -5.142 -6.257 -9.119 1.00 1.13 H new ATOM 0 HB3 ALA A 8 -6.173 -5.529 -7.865 1.00 1.13 H new ATOM 112 N VAL A 9 -6.446 -7.944 -5.859 1.00 0.54 N ATOM 113 CA VAL A 9 -7.024 -8.154 -4.509 1.00 0.46 C ATOM 114 C VAL A 9 -5.931 -8.168 -3.459 1.00 0.47 C ATOM 115 O VAL A 9 -4.758 -8.211 -3.761 1.00 0.66 O ATOM 116 CB VAL A 9 -7.767 -9.498 -4.505 1.00 0.60 C ATOM 117 CG1 VAL A 9 -6.939 -10.537 -5.270 1.00 1.03 C ATOM 118 CG2 VAL A 9 -8.042 -10.001 -3.091 1.00 1.87 C ATOM 0 H VAL A 9 -5.428 -7.901 -5.898 1.00 0.54 H new ATOM 0 HA VAL A 9 -7.710 -7.341 -4.274 1.00 0.46 H new ATOM 0 HB VAL A 9 -8.731 -9.347 -4.991 1.00 0.60 H new ATOM 0 HG11 VAL A 9 -7.464 -11.492 -5.269 1.00 1.03 H new ATOM 0 HG12 VAL A 9 -6.795 -10.203 -6.298 1.00 1.03 H new ATOM 0 HG13 VAL A 9 -5.969 -10.655 -4.788 1.00 1.03 H new ATOM 0 HG21 VAL A 9 -8.569 -10.954 -3.140 1.00 1.87 H new ATOM 0 HG22 VAL A 9 -7.098 -10.135 -2.562 1.00 1.87 H new ATOM 0 HG23 VAL A 9 -8.656 -9.274 -2.559 1.00 1.87 H new ATOM 128 N LYS A 10 -6.368 -8.133 -2.253 1.00 0.48 N ATOM 129 CA LYS A 10 -5.423 -8.137 -1.100 1.00 0.45 C ATOM 130 C LYS A 10 -5.786 -9.239 -0.089 1.00 0.45 C ATOM 131 O LYS A 10 -6.681 -9.068 0.711 1.00 0.63 O ATOM 132 CB LYS A 10 -5.573 -6.783 -0.403 1.00 0.42 C ATOM 133 CG LYS A 10 -4.718 -6.765 0.866 1.00 0.77 C ATOM 134 CD LYS A 10 -4.086 -5.380 1.018 1.00 0.55 C ATOM 135 CE LYS A 10 -3.203 -5.349 2.263 1.00 1.24 C ATOM 136 NZ LYS A 10 -3.710 -6.284 3.305 1.00 3.22 N ATOM 0 H LYS A 10 -7.355 -8.101 -1.998 1.00 0.48 H new ATOM 0 HA LYS A 10 -4.408 -8.317 -1.455 1.00 0.45 H new ATOM 0 HB2 LYS A 10 -5.265 -5.981 -1.073 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -6.619 -6.605 -0.152 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -5.331 -6.997 1.737 1.00 0.77 H new ATOM 0 HG3 LYS A 10 -3.943 -7.529 0.809 1.00 0.77 H new ATOM 0 HD2 LYS A 10 -3.494 -5.141 0.135 1.00 0.55 H new ATOM 0 HD3 LYS A 10 -4.865 -4.621 1.094 1.00 0.55 H new ATOM 0 HE2 LYS A 10 -2.182 -5.618 1.995 1.00 1.24 H new ATOM 0 HE3 LYS A 10 -3.171 -4.336 2.664 1.00 1.24 H new ATOM 0 HZ1 LYS A 10 -3.091 -6.242 4.140 1.00 3.22 H new ATOM 0 HZ2 LYS A 10 -4.676 -6.011 3.576 1.00 3.22 H new ATOM 0 HZ3 LYS A 10 -3.718 -7.253 2.928 1.00 3.22 H new ATOM 150 N ALA A 11 -5.094 -10.349 -0.147 1.00 0.26 N ATOM 151 CA ALA A 11 -5.394 -11.465 0.809 1.00 0.25 C ATOM 152 C ALA A 11 -5.487 -10.973 2.248 1.00 0.20 C ATOM 153 O ALA A 11 -4.529 -10.468 2.797 1.00 0.24 O ATOM 154 CB ALA A 11 -4.239 -12.461 0.738 1.00 0.27 C ATOM 0 H ALA A 11 -4.340 -10.533 -0.808 1.00 0.26 H new ATOM 0 HA ALA A 11 -6.350 -11.908 0.531 1.00 0.25 H new ATOM 0 HB1 ALA A 11 -4.428 -13.287 1.424 1.00 0.27 H new ATOM 0 HB2 ALA A 11 -4.152 -12.846 -0.278 1.00 0.27 H new ATOM 0 HB3 ALA A 11 -3.311 -11.962 1.017 1.00 0.27 H new ATOM 160 N LEU A 12 -6.643 -11.123 2.836 1.00 0.12 N ATOM 161 CA LEU A 12 -6.800 -10.670 4.241 1.00 0.11 C ATOM 162 C LEU A 12 -6.296 -11.752 5.180 1.00 0.17 C ATOM 163 O LEU A 12 -5.763 -11.469 6.233 1.00 0.34 O ATOM 164 CB LEU A 12 -8.290 -10.451 4.553 1.00 0.17 C ATOM 165 CG LEU A 12 -8.976 -9.737 3.391 1.00 0.15 C ATOM 166 CD1 LEU A 12 -10.462 -9.593 3.733 1.00 0.45 C ATOM 167 CD2 LEU A 12 -8.357 -8.345 3.214 1.00 0.24 C ATOM 0 H LEU A 12 -7.473 -11.534 2.409 1.00 0.12 H new ATOM 0 HA LEU A 12 -6.239 -9.745 4.373 1.00 0.11 H new ATOM 0 HB2 LEU A 12 -8.775 -11.410 4.736 1.00 0.17 H new ATOM 0 HB3 LEU A 12 -8.395 -9.861 5.464 1.00 0.17 H new ATOM 0 HG LEU A 12 -8.852 -10.304 2.468 1.00 0.15 H new ATOM 0 HD11 LEU A 12 -10.976 -9.085 2.917 1.00 0.45 H new ATOM 0 HD12 LEU A 12 -10.899 -10.581 3.878 1.00 0.45 H new ATOM 0 HD13 LEU A 12 -10.570 -9.011 4.648 1.00 0.45 H new ATOM 0 HD21 LEU A 12 -8.845 -7.833 2.385 1.00 0.24 H new ATOM 0 HD22 LEU A 12 -8.493 -7.767 4.128 1.00 0.24 H new ATOM 0 HD23 LEU A 12 -7.292 -8.444 3.003 1.00 0.24 H new ATOM 179 N PHE A 13 -6.477 -12.982 4.766 1.00 0.22 N ATOM 180 CA PHE A 13 -6.021 -14.127 5.613 1.00 0.33 C ATOM 181 C PHE A 13 -4.761 -14.765 5.033 1.00 0.34 C ATOM 182 O PHE A 13 -4.359 -14.458 3.927 1.00 0.58 O ATOM 183 CB PHE A 13 -7.132 -15.198 5.652 1.00 0.46 C ATOM 184 CG PHE A 13 -8.483 -14.649 6.174 1.00 0.30 C ATOM 185 CD1 PHE A 13 -8.595 -13.409 6.800 1.00 0.30 C ATOM 186 CD2 PHE A 13 -9.634 -15.414 6.021 1.00 0.43 C ATOM 187 CE1 PHE A 13 -9.813 -12.957 7.246 1.00 0.28 C ATOM 188 CE2 PHE A 13 -10.853 -14.952 6.476 1.00 0.64 C ATOM 189 CZ PHE A 13 -10.942 -13.725 7.090 1.00 0.54 C ATOM 0 H PHE A 13 -6.918 -13.242 3.884 1.00 0.22 H new ATOM 0 HA PHE A 13 -5.805 -13.751 6.613 1.00 0.33 H new ATOM 0 HB2 PHE A 13 -7.274 -15.604 4.650 1.00 0.46 H new ATOM 0 HB3 PHE A 13 -6.811 -16.023 6.288 1.00 0.46 H new ATOM 0 HD1 PHE A 13 -7.715 -12.797 6.936 1.00 0.30 H new ATOM 0 HD2 PHE A 13 -9.574 -16.380 5.541 1.00 0.43 H new ATOM 0 HE1 PHE A 13 -9.884 -11.991 7.723 1.00 0.28 H new ATOM 0 HE2 PHE A 13 -11.739 -15.556 6.349 1.00 0.64 H new ATOM 0 HZ PHE A 13 -11.896 -13.366 7.448 1.00 0.54 H new ATOM 199 N ASP A 14 -4.168 -15.647 5.796 1.00 0.21 N ATOM 200 CA ASP A 14 -2.930 -16.327 5.324 1.00 0.26 C ATOM 201 C ASP A 14 -3.215 -17.755 4.857 1.00 0.19 C ATOM 202 O ASP A 14 -4.049 -18.443 5.409 1.00 0.20 O ATOM 203 CB ASP A 14 -1.947 -16.380 6.501 1.00 0.38 C ATOM 204 CG ASP A 14 -1.176 -17.699 6.462 1.00 2.55 C ATOM 205 OD1 ASP A 14 -0.506 -17.907 5.464 1.00 4.64 O ATOM 206 OD2 ASP A 14 -1.297 -18.425 7.436 1.00 2.31 O ATOM 0 H ASP A 14 -4.489 -15.924 6.724 1.00 0.21 H new ATOM 0 HA ASP A 14 -2.521 -15.772 4.480 1.00 0.26 H new ATOM 0 HB2 ASP A 14 -1.254 -15.540 6.448 1.00 0.38 H new ATOM 0 HB3 ASP A 14 -2.487 -16.290 7.444 1.00 0.38 H new ATOM 211 N TYR A 15 -2.502 -18.157 3.838 1.00 0.19 N ATOM 212 CA TYR A 15 -2.678 -19.529 3.280 1.00 0.13 C ATOM 213 C TYR A 15 -1.371 -20.315 3.407 1.00 0.18 C ATOM 214 O TYR A 15 -0.359 -19.766 3.790 1.00 0.23 O ATOM 215 CB TYR A 15 -3.016 -19.380 1.788 1.00 0.08 C ATOM 216 CG TYR A 15 -3.710 -20.640 1.281 1.00 0.10 C ATOM 217 CD1 TYR A 15 -2.974 -21.748 0.947 1.00 0.13 C ATOM 218 CD2 TYR A 15 -5.083 -20.708 1.223 1.00 0.13 C ATOM 219 CE1 TYR A 15 -3.577 -22.910 0.580 1.00 0.18 C ATOM 220 CE2 TYR A 15 -5.709 -21.881 0.841 1.00 0.18 C ATOM 221 CZ TYR A 15 -4.956 -22.999 0.523 1.00 0.20 C ATOM 222 OH TYR A 15 -5.570 -24.194 0.205 1.00 0.25 O ATOM 0 H TYR A 15 -1.800 -17.588 3.365 1.00 0.19 H new ATOM 0 HA TYR A 15 -3.466 -20.056 3.818 1.00 0.13 H new ATOM 0 HB2 TYR A 15 -3.661 -18.514 1.638 1.00 0.08 H new ATOM 0 HB3 TYR A 15 -2.105 -19.202 1.217 1.00 0.08 H new ATOM 0 HD1 TYR A 15 -1.896 -21.697 0.976 1.00 0.13 H new ATOM 0 HD2 TYR A 15 -5.675 -19.841 1.477 1.00 0.13 H new ATOM 0 HE1 TYR A 15 -2.974 -23.771 0.331 1.00 0.18 H new ATOM 0 HE2 TYR A 15 -6.787 -21.925 0.791 1.00 0.18 H new ATOM 0 HH TYR A 15 -5.025 -24.677 -0.451 1.00 0.25 H new ATOM 232 N LYS A 16 -1.408 -21.582 3.083 1.00 0.19 N ATOM 233 CA LYS A 16 -0.157 -22.391 3.183 1.00 0.25 C ATOM 234 C LYS A 16 -0.074 -23.536 2.160 1.00 0.24 C ATOM 235 O LYS A 16 0.039 -24.685 2.533 1.00 0.29 O ATOM 236 CB LYS A 16 -0.038 -22.975 4.607 1.00 0.34 C ATOM 237 CG LYS A 16 1.233 -23.855 4.712 1.00 0.38 C ATOM 238 CD LYS A 16 2.116 -23.404 5.883 1.00 1.36 C ATOM 239 CE LYS A 16 3.499 -24.051 5.736 1.00 1.72 C ATOM 240 NZ LYS A 16 4.419 -23.574 6.806 1.00 2.67 N ATOM 0 H LYS A 16 -2.235 -22.084 2.759 1.00 0.19 H new ATOM 0 HA LYS A 16 0.667 -21.713 2.961 1.00 0.25 H new ATOM 0 HB2 LYS A 16 0.007 -22.168 5.338 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -0.922 -23.568 4.841 1.00 0.34 H new ATOM 0 HG2 LYS A 16 0.948 -24.898 4.847 1.00 0.38 H new ATOM 0 HG3 LYS A 16 1.798 -23.797 3.782 1.00 0.38 H new ATOM 0 HD2 LYS A 16 2.206 -22.318 5.891 1.00 1.36 H new ATOM 0 HD3 LYS A 16 1.663 -23.693 6.831 1.00 1.36 H new ATOM 0 HE2 LYS A 16 3.406 -25.136 5.786 1.00 1.72 H new ATOM 0 HE3 LYS A 16 3.916 -23.812 4.758 1.00 1.72 H new ATOM 0 HZ1 LYS A 16 5.350 -24.023 6.689 1.00 2.67 H new ATOM 0 HZ2 LYS A 16 4.522 -22.541 6.740 1.00 2.67 H new ATOM 0 HZ3 LYS A 16 4.028 -23.824 7.737 1.00 2.67 H new ATOM 254 N ALA A 17 -0.127 -23.202 0.895 1.00 0.19 N ATOM 255 CA ALA A 17 -0.035 -24.265 -0.150 1.00 0.20 C ATOM 256 C ALA A 17 1.334 -24.144 -0.731 1.00 0.22 C ATOM 257 O ALA A 17 1.989 -25.107 -1.081 1.00 0.18 O ATOM 258 CB ALA A 17 -1.007 -24.033 -1.308 1.00 0.20 C ATOM 0 H ALA A 17 -0.229 -22.250 0.544 1.00 0.19 H new ATOM 0 HA ALA A 17 -0.260 -25.229 0.306 1.00 0.20 H new ATOM 0 HB1 ALA A 17 -0.899 -24.834 -2.039 1.00 0.20 H new ATOM 0 HB2 ALA A 17 -2.029 -24.023 -0.929 1.00 0.20 H new ATOM 0 HB3 ALA A 17 -0.786 -23.077 -1.782 1.00 0.20 H new ATOM 264 N GLN A 18 1.724 -22.906 -0.797 1.00 0.35 N ATOM 265 CA GLN A 18 3.058 -22.546 -1.345 1.00 0.40 C ATOM 266 C GLN A 18 3.047 -22.687 -2.860 1.00 0.43 C ATOM 267 O GLN A 18 3.595 -21.864 -3.562 1.00 0.54 O ATOM 268 CB GLN A 18 4.131 -23.486 -0.762 1.00 0.28 C ATOM 269 CG GLN A 18 5.329 -22.665 -0.259 1.00 1.09 C ATOM 270 CD GLN A 18 6.576 -23.551 -0.162 1.00 0.45 C ATOM 271 OE1 GLN A 18 6.476 -24.829 -0.402 1.00 1.00 O flip ATOM 272 NE2 GLN A 18 7.658 -23.083 0.138 1.00 0.50 N flip ATOM 0 H GLN A 18 1.163 -22.112 -0.488 1.00 0.35 H new ATOM 0 HA GLN A 18 3.285 -21.515 -1.074 1.00 0.40 H new ATOM 0 HB2 GLN A 18 3.710 -24.070 0.057 1.00 0.28 H new ATOM 0 HB3 GLN A 18 4.458 -24.194 -1.523 1.00 0.28 H new ATOM 0 HG2 GLN A 18 5.518 -21.832 -0.936 1.00 1.09 H new ATOM 0 HG3 GLN A 18 5.101 -22.237 0.717 1.00 1.09 H new ATOM 0 HE21 GLN A 18 7.747 -22.085 0.328 1.00 0.50 H new ATOM 0 HE22 GLN A 18 8.476 -23.689 0.200 1.00 0.50 H new ATOM 281 N ARG A 19 2.383 -23.720 -3.310 1.00 0.40 N ATOM 282 CA ARG A 19 2.280 -24.000 -4.769 1.00 0.50 C ATOM 283 C ARG A 19 1.681 -25.396 -4.945 1.00 0.43 C ATOM 284 O ARG A 19 2.388 -26.386 -4.976 1.00 0.68 O ATOM 285 CB ARG A 19 3.693 -23.950 -5.390 1.00 0.91 C ATOM 286 CG ARG A 19 3.687 -24.565 -6.794 1.00 0.64 C ATOM 287 CD ARG A 19 4.997 -24.186 -7.487 1.00 0.90 C ATOM 288 NE ARG A 19 5.328 -25.217 -8.508 1.00 2.40 N ATOM 289 CZ ARG A 19 4.621 -25.289 -9.599 1.00 3.92 C ATOM 290 NH1 ARG A 19 3.333 -25.478 -9.503 1.00 3.94 N ATOM 291 NH2 ARG A 19 5.222 -25.167 -10.751 1.00 5.66 N ATOM 0 H ARG A 19 1.900 -24.392 -2.715 1.00 0.40 H new ATOM 0 HA ARG A 19 1.648 -23.261 -5.262 1.00 0.50 H new ATOM 0 HB2 ARG A 19 4.037 -22.917 -5.441 1.00 0.91 H new ATOM 0 HB3 ARG A 19 4.395 -24.489 -4.754 1.00 0.91 H new ATOM 0 HG2 ARG A 19 3.588 -25.649 -6.734 1.00 0.64 H new ATOM 0 HG3 ARG A 19 2.834 -24.199 -7.366 1.00 0.64 H new ATOM 0 HD2 ARG A 19 4.903 -23.208 -7.958 1.00 0.90 H new ATOM 0 HD3 ARG A 19 5.801 -24.111 -6.755 1.00 0.90 H new ATOM 0 HE ARG A 19 6.103 -25.862 -8.354 1.00 2.40 H new ATOM 0 HH11 ARG A 19 2.898 -25.566 -8.585 1.00 3.94 H new ATOM 0 HH12 ARG A 19 2.762 -25.537 -10.346 1.00 3.94 H new ATOM 0 HH21 ARG A 19 6.230 -25.018 -10.787 1.00 5.66 H new ATOM 0 HH22 ARG A 19 4.683 -25.221 -11.615 1.00 5.66 H new ATOM 305 N GLU A 20 0.376 -25.451 -5.002 1.00 0.30 N ATOM 306 CA GLU A 20 -0.298 -26.780 -5.176 1.00 0.53 C ATOM 307 C GLU A 20 -1.501 -26.650 -6.079 1.00 0.66 C ATOM 308 O GLU A 20 -2.282 -27.569 -6.213 1.00 1.29 O ATOM 309 CB GLU A 20 -0.806 -27.241 -3.795 1.00 0.42 C ATOM 310 CG GLU A 20 -2.168 -26.578 -3.464 1.00 0.12 C ATOM 311 CD GLU A 20 -2.543 -26.944 -2.030 1.00 1.61 C ATOM 312 OE1 GLU A 20 -1.684 -27.505 -1.371 1.00 2.33 O ATOM 313 OE2 GLU A 20 -3.669 -26.638 -1.672 1.00 2.31 O ATOM 0 H GLU A 20 -0.249 -24.647 -4.937 1.00 0.30 H new ATOM 0 HA GLU A 20 0.411 -27.485 -5.609 1.00 0.53 H new ATOM 0 HB2 GLU A 20 -0.912 -28.326 -3.784 1.00 0.42 H new ATOM 0 HB3 GLU A 20 -0.075 -26.984 -3.028 1.00 0.42 H new ATOM 0 HG2 GLU A 20 -2.100 -25.496 -3.574 1.00 0.12 H new ATOM 0 HG3 GLU A 20 -2.936 -26.922 -4.157 1.00 0.12 H new ATOM 320 N ASP A 21 -1.558 -25.511 -6.685 1.00 0.53 N ATOM 321 CA ASP A 21 -2.638 -25.111 -7.617 1.00 0.51 C ATOM 322 C ASP A 21 -3.259 -23.983 -6.821 1.00 0.66 C ATOM 323 O ASP A 21 -4.086 -23.226 -7.268 1.00 1.74 O ATOM 324 CB ASP A 21 -3.685 -26.217 -7.883 1.00 0.41 C ATOM 325 CG ASP A 21 -3.036 -27.388 -8.629 1.00 0.20 C ATOM 326 OD1 ASP A 21 -1.925 -27.188 -9.088 1.00 0.36 O ATOM 327 OD2 ASP A 21 -3.692 -28.415 -8.695 1.00 1.01 O ATOM 0 H ASP A 21 -0.848 -24.789 -6.563 1.00 0.53 H new ATOM 0 HA ASP A 21 -2.274 -24.867 -8.615 1.00 0.51 H new ATOM 0 HB2 ASP A 21 -4.106 -26.565 -6.940 1.00 0.41 H new ATOM 0 HB3 ASP A 21 -4.510 -25.814 -8.470 1.00 0.41 H new ATOM 332 N GLU A 22 -2.760 -23.939 -5.600 1.00 0.43 N ATOM 333 CA GLU A 22 -3.156 -22.946 -4.582 1.00 0.19 C ATOM 334 C GLU A 22 -1.817 -22.427 -4.012 1.00 0.11 C ATOM 335 O GLU A 22 -0.812 -23.070 -4.242 1.00 0.10 O ATOM 336 CB GLU A 22 -3.970 -23.677 -3.497 1.00 0.17 C ATOM 337 CG GLU A 22 -5.217 -22.873 -3.114 1.00 0.07 C ATOM 338 CD GLU A 22 -6.141 -23.742 -2.259 1.00 0.06 C ATOM 339 OE1 GLU A 22 -5.846 -24.923 -2.169 1.00 0.18 O ATOM 340 OE2 GLU A 22 -7.091 -23.179 -1.741 1.00 0.29 O ATOM 0 H GLU A 22 -2.055 -24.597 -5.268 1.00 0.43 H new ATOM 0 HA GLU A 22 -3.766 -22.130 -4.968 1.00 0.19 H new ATOM 0 HB2 GLU A 22 -4.265 -24.662 -3.859 1.00 0.17 H new ATOM 0 HB3 GLU A 22 -3.349 -23.835 -2.615 1.00 0.17 H new ATOM 0 HG2 GLU A 22 -4.930 -21.977 -2.563 1.00 0.07 H new ATOM 0 HG3 GLU A 22 -5.739 -22.542 -4.012 1.00 0.07 H new ATOM 347 N LEU A 23 -1.779 -21.304 -3.313 1.00 0.10 N ATOM 348 CA LEU A 23 -0.435 -20.834 -2.782 1.00 0.04 C ATOM 349 C LEU A 23 -0.484 -20.488 -1.305 1.00 0.05 C ATOM 350 O LEU A 23 -1.540 -20.334 -0.741 1.00 0.03 O ATOM 351 CB LEU A 23 0.044 -19.553 -3.480 1.00 0.05 C ATOM 352 CG LEU A 23 -0.654 -19.341 -4.824 1.00 0.10 C ATOM 353 CD1 LEU A 23 -1.419 -18.013 -4.876 1.00 0.21 C ATOM 354 CD2 LEU A 23 0.427 -19.358 -5.895 1.00 0.09 C ATOM 0 H LEU A 23 -2.580 -20.712 -3.092 1.00 0.10 H new ATOM 0 HA LEU A 23 0.237 -21.671 -2.970 1.00 0.04 H new ATOM 0 HB2 LEU A 23 -0.144 -18.695 -2.834 1.00 0.05 H new ATOM 0 HB3 LEU A 23 1.122 -19.605 -3.635 1.00 0.05 H new ATOM 0 HG LEU A 23 -1.390 -20.130 -4.980 1.00 0.10 H new ATOM 0 HD11 LEU A 23 -1.898 -17.907 -5.849 1.00 0.21 H new ATOM 0 HD12 LEU A 23 -2.179 -18.000 -4.094 1.00 0.21 H new ATOM 0 HD13 LEU A 23 -0.725 -17.187 -4.721 1.00 0.21 H new ATOM 0 HD21 LEU A 23 -0.028 -19.210 -6.874 1.00 0.09 H new ATOM 0 HD22 LEU A 23 1.142 -18.558 -5.703 1.00 0.09 H new ATOM 0 HD23 LEU A 23 0.942 -20.318 -5.876 1.00 0.09 H new ATOM 366 N THR A 24 0.685 -20.281 -0.742 1.00 0.18 N ATOM 367 CA THR A 24 0.786 -19.935 0.694 1.00 0.26 C ATOM 368 C THR A 24 0.784 -18.447 0.868 1.00 0.29 C ATOM 369 O THR A 24 1.287 -17.934 1.849 1.00 0.33 O ATOM 370 CB THR A 24 2.129 -20.431 1.226 1.00 0.37 C ATOM 371 OG1 THR A 24 2.146 -20.079 2.598 1.00 0.30 O ATOM 372 CG2 THR A 24 3.267 -19.595 0.624 1.00 0.53 C ATOM 0 H THR A 24 1.578 -20.340 -1.231 1.00 0.18 H new ATOM 0 HA THR A 24 -0.055 -20.387 1.219 1.00 0.26 H new ATOM 0 HB THR A 24 2.249 -21.493 1.009 1.00 0.37 H new ATOM 0 HG1 THR A 24 2.187 -19.104 2.685 1.00 0.30 H new ATOM 0 HG21 THR A 24 4.223 -19.953 1.007 1.00 0.53 H new ATOM 0 HG22 THR A 24 3.253 -19.689 -0.462 1.00 0.53 H new ATOM 0 HG23 THR A 24 3.135 -18.549 0.899 1.00 0.53 H new ATOM 380 N PHE A 25 0.235 -17.787 -0.089 1.00 0.26 N ATOM 381 CA PHE A 25 0.192 -16.322 0.001 1.00 0.30 C ATOM 382 C PHE A 25 -0.195 -15.908 1.416 1.00 0.29 C ATOM 383 O PHE A 25 -1.001 -16.552 2.057 1.00 0.23 O ATOM 384 CB PHE A 25 -0.790 -15.817 -1.029 1.00 0.27 C ATOM 385 CG PHE A 25 -2.151 -16.432 -0.794 1.00 0.15 C ATOM 386 CD1 PHE A 25 -3.007 -15.910 0.147 1.00 0.19 C ATOM 387 CD2 PHE A 25 -2.562 -17.474 -1.584 1.00 0.06 C ATOM 388 CE1 PHE A 25 -4.280 -16.431 0.282 1.00 0.14 C ATOM 389 CE2 PHE A 25 -3.805 -17.993 -1.468 1.00 0.10 C ATOM 390 CZ PHE A 25 -4.677 -17.477 -0.528 1.00 0.11 C ATOM 0 H PHE A 25 -0.184 -18.194 -0.925 1.00 0.26 H new ATOM 0 HA PHE A 25 1.169 -15.885 -0.205 1.00 0.30 H new ATOM 0 HB2 PHE A 25 -0.859 -14.731 -0.975 1.00 0.27 H new ATOM 0 HB3 PHE A 25 -0.438 -16.065 -2.030 1.00 0.27 H new ATOM 0 HD1 PHE A 25 -2.686 -15.095 0.779 1.00 0.19 H new ATOM 0 HD2 PHE A 25 -1.880 -17.888 -2.312 1.00 0.06 H new ATOM 0 HE1 PHE A 25 -4.960 -16.023 1.016 1.00 0.14 H new ATOM 0 HE2 PHE A 25 -4.115 -18.807 -2.107 1.00 0.10 H new ATOM 0 HZ PHE A 25 -5.669 -17.892 -0.427 1.00 0.11 H new ATOM 400 N ILE A 26 0.390 -14.840 1.868 1.00 0.38 N ATOM 401 CA ILE A 26 0.088 -14.362 3.242 1.00 0.38 C ATOM 402 C ILE A 26 -0.789 -13.126 3.260 1.00 0.34 C ATOM 403 O ILE A 26 -1.108 -12.563 2.232 1.00 0.35 O ATOM 404 CB ILE A 26 1.421 -14.012 3.890 1.00 0.46 C ATOM 405 CG1 ILE A 26 2.262 -13.197 2.905 1.00 0.49 C ATOM 406 CG2 ILE A 26 2.153 -15.325 4.214 1.00 0.42 C ATOM 407 CD1 ILE A 26 3.368 -12.461 3.671 1.00 0.76 C ATOM 0 H ILE A 26 1.063 -14.277 1.348 1.00 0.38 H new ATOM 0 HA ILE A 26 -0.454 -15.146 3.770 1.00 0.38 H new ATOM 0 HB ILE A 26 1.262 -13.429 4.797 1.00 0.46 H new ATOM 0 HG12 ILE A 26 2.700 -13.853 2.153 1.00 0.49 H new ATOM 0 HG13 ILE A 26 1.632 -12.482 2.376 1.00 0.49 H new ATOM 0 HG21 ILE A 26 3.113 -15.101 4.680 1.00 0.42 H new ATOM 0 HG22 ILE A 26 1.548 -15.920 4.898 1.00 0.42 H new ATOM 0 HG23 ILE A 26 2.318 -15.886 3.294 1.00 0.42 H new ATOM 0 HD11 ILE A 26 3.969 -11.879 2.972 1.00 0.76 H new ATOM 0 HD12 ILE A 26 2.919 -11.793 4.406 1.00 0.76 H new ATOM 0 HD13 ILE A 26 4.003 -13.186 4.179 1.00 0.76 H new ATOM 419 N LYS A 27 -1.164 -12.727 4.443 1.00 0.31 N ATOM 420 CA LYS A 27 -2.012 -11.538 4.555 1.00 0.27 C ATOM 421 C LYS A 27 -1.269 -10.350 4.008 1.00 0.33 C ATOM 422 O LYS A 27 -0.227 -9.988 4.507 1.00 0.49 O ATOM 423 CB LYS A 27 -2.347 -11.269 6.027 1.00 0.27 C ATOM 424 CG LYS A 27 -3.064 -9.908 6.149 1.00 0.25 C ATOM 425 CD LYS A 27 -2.141 -8.921 6.875 1.00 0.21 C ATOM 426 CE LYS A 27 -1.944 -9.371 8.327 1.00 0.28 C ATOM 427 NZ LYS A 27 -2.289 -8.265 9.264 1.00 1.52 N ATOM 0 H LYS A 27 -0.916 -13.178 5.324 1.00 0.31 H new ATOM 0 HA LYS A 27 -2.932 -11.703 3.995 1.00 0.27 H new ATOM 0 HB2 LYS A 27 -2.983 -12.064 6.418 1.00 0.27 H new ATOM 0 HB3 LYS A 27 -1.435 -11.267 6.624 1.00 0.27 H new ATOM 0 HG2 LYS A 27 -3.319 -9.527 5.160 1.00 0.25 H new ATOM 0 HG3 LYS A 27 -3.999 -10.023 6.698 1.00 0.25 H new ATOM 0 HD2 LYS A 27 -1.178 -8.867 6.367 1.00 0.21 H new ATOM 0 HD3 LYS A 27 -2.571 -7.920 6.850 1.00 0.21 H new ATOM 0 HE2 LYS A 27 -2.569 -10.240 8.533 1.00 0.28 H new ATOM 0 HE3 LYS A 27 -0.910 -9.679 8.482 1.00 0.28 H new ATOM 0 HZ1 LYS A 27 -2.151 -8.584 10.244 1.00 1.52 H new ATOM 0 HZ2 LYS A 27 -1.675 -7.447 9.077 1.00 1.52 H new ATOM 0 HZ3 LYS A 27 -3.283 -7.991 9.126 1.00 1.52 H new ATOM 441 N SER A 28 -1.855 -9.816 2.982 1.00 0.30 N ATOM 442 CA SER A 28 -1.322 -8.626 2.260 1.00 0.39 C ATOM 443 C SER A 28 -0.924 -8.986 0.841 1.00 0.41 C ATOM 444 O SER A 28 -0.738 -8.114 0.020 1.00 0.52 O ATOM 445 CB SER A 28 -0.096 -8.019 2.962 1.00 0.49 C ATOM 446 OG SER A 28 0.156 -6.827 2.230 1.00 0.64 O ATOM 0 H SER A 28 -2.727 -10.173 2.592 1.00 0.30 H new ATOM 0 HA SER A 28 -2.127 -7.891 2.254 1.00 0.39 H new ATOM 0 HB2 SER A 28 -0.299 -7.809 4.012 1.00 0.49 H new ATOM 0 HB3 SER A 28 0.758 -8.695 2.932 1.00 0.49 H new ATOM 0 HG SER A 28 -0.214 -6.913 1.327 1.00 0.64 H new ATOM 452 N ALA A 29 -0.781 -10.256 0.575 1.00 0.33 N ATOM 453 CA ALA A 29 -0.397 -10.657 -0.799 1.00 0.35 C ATOM 454 C ALA A 29 -1.262 -9.893 -1.785 1.00 0.34 C ATOM 455 O ALA A 29 -2.433 -9.691 -1.534 1.00 0.34 O ATOM 456 CB ALA A 29 -0.661 -12.155 -0.960 1.00 0.43 C ATOM 0 H ALA A 29 -0.912 -11.018 1.240 1.00 0.33 H new ATOM 0 HA ALA A 29 0.656 -10.441 -0.980 1.00 0.35 H new ATOM 0 HB1 ALA A 29 -0.384 -12.467 -1.967 1.00 0.43 H new ATOM 0 HB2 ALA A 29 -0.069 -12.709 -0.232 1.00 0.43 H new ATOM 0 HB3 ALA A 29 -1.719 -12.358 -0.796 1.00 0.43 H new ATOM 462 N ILE A 30 -0.685 -9.486 -2.885 1.00 0.35 N ATOM 463 CA ILE A 30 -1.482 -8.733 -3.878 1.00 0.35 C ATOM 464 C ILE A 30 -1.494 -9.472 -5.209 1.00 0.44 C ATOM 465 O ILE A 30 -0.879 -9.065 -6.175 1.00 1.01 O ATOM 466 CB ILE A 30 -0.854 -7.351 -4.051 1.00 0.32 C ATOM 467 CG1 ILE A 30 -0.249 -6.878 -2.726 1.00 0.29 C ATOM 468 CG2 ILE A 30 -1.979 -6.386 -4.450 1.00 0.32 C ATOM 469 CD1 ILE A 30 0.279 -5.449 -2.890 1.00 0.24 C ATOM 0 H ILE A 30 0.292 -9.643 -3.131 1.00 0.35 H new ATOM 0 HA ILE A 30 -2.511 -8.635 -3.533 1.00 0.35 H new ATOM 0 HB ILE A 30 -0.068 -7.386 -4.805 1.00 0.32 H new ATOM 0 HG12 ILE A 30 -1.001 -6.912 -1.938 1.00 0.29 H new ATOM 0 HG13 ILE A 30 0.559 -7.544 -2.424 1.00 0.29 H new ATOM 0 HG21 ILE A 30 -1.569 -5.385 -4.583 1.00 0.32 H new ATOM 0 HG22 ILE A 30 -2.431 -6.720 -5.384 1.00 0.32 H new ATOM 0 HG23 ILE A 30 -2.737 -6.367 -3.667 1.00 0.32 H new ATOM 0 HD11 ILE A 30 0.710 -5.110 -1.948 1.00 0.24 H new ATOM 0 HD12 ILE A 30 1.044 -5.431 -3.667 1.00 0.24 H new ATOM 0 HD13 ILE A 30 -0.541 -4.788 -3.172 1.00 0.24 H new ATOM 481 N ILE A 31 -2.212 -10.551 -5.218 1.00 0.17 N ATOM 482 CA ILE A 31 -2.309 -11.365 -6.449 1.00 0.14 C ATOM 483 C ILE A 31 -2.858 -10.509 -7.603 1.00 0.13 C ATOM 484 O ILE A 31 -3.665 -9.628 -7.375 1.00 0.11 O ATOM 485 CB ILE A 31 -3.234 -12.541 -6.123 1.00 0.16 C ATOM 486 CG1 ILE A 31 -2.707 -13.254 -4.861 1.00 0.12 C ATOM 487 CG2 ILE A 31 -3.207 -13.516 -7.297 1.00 0.24 C ATOM 488 CD1 ILE A 31 -3.659 -14.376 -4.458 1.00 0.12 C ATOM 0 H ILE A 31 -2.739 -10.906 -4.420 1.00 0.17 H new ATOM 0 HA ILE A 31 -1.335 -11.734 -6.770 1.00 0.14 H new ATOM 0 HB ILE A 31 -4.251 -12.189 -5.950 1.00 0.16 H new ATOM 0 HG12 ILE A 31 -1.713 -13.660 -5.051 1.00 0.12 H new ATOM 0 HG13 ILE A 31 -2.608 -12.539 -4.044 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -3.861 -14.361 -7.083 1.00 0.24 H new ATOM 0 HG22 ILE A 31 -3.552 -13.010 -8.198 1.00 0.24 H new ATOM 0 HG23 ILE A 31 -2.189 -13.874 -7.449 1.00 0.24 H new ATOM 0 HD11 ILE A 31 -3.278 -14.873 -3.566 1.00 0.12 H new ATOM 0 HD12 ILE A 31 -4.644 -13.960 -4.249 1.00 0.12 H new ATOM 0 HD13 ILE A 31 -3.736 -15.098 -5.271 1.00 0.12 H new ATOM 500 N GLN A 32 -2.416 -10.779 -8.819 1.00 0.18 N ATOM 501 CA GLN A 32 -2.913 -9.975 -9.988 1.00 0.19 C ATOM 502 C GLN A 32 -3.657 -10.853 -10.992 1.00 0.31 C ATOM 503 O GLN A 32 -3.718 -12.054 -10.816 1.00 0.18 O ATOM 504 CB GLN A 32 -1.697 -9.347 -10.690 1.00 0.33 C ATOM 505 CG GLN A 32 -0.788 -8.671 -9.654 1.00 0.33 C ATOM 506 CD GLN A 32 -0.540 -7.219 -10.070 1.00 1.21 C ATOM 507 OE1 GLN A 32 0.588 -6.789 -10.216 1.00 2.34 O ATOM 508 NE2 GLN A 32 -1.561 -6.433 -10.271 1.00 2.14 N ATOM 0 H GLN A 32 -1.743 -11.511 -9.047 1.00 0.18 H new ATOM 0 HA GLN A 32 -3.602 -9.213 -9.623 1.00 0.19 H new ATOM 0 HB2 GLN A 32 -1.141 -10.114 -11.229 1.00 0.33 H new ATOM 0 HB3 GLN A 32 -2.029 -8.616 -11.427 1.00 0.33 H new ATOM 0 HG2 GLN A 32 -1.252 -8.705 -8.669 1.00 0.33 H new ATOM 0 HG3 GLN A 32 0.158 -9.207 -9.579 1.00 0.33 H new ATOM 0 HE21 GLN A 32 -2.510 -6.788 -10.150 1.00 2.14 H new ATOM 0 HE22 GLN A 32 -1.411 -5.463 -10.549 1.00 2.14 H new ATOM 517 N ASN A 33 -4.186 -10.239 -12.042 1.00 0.64 N ATOM 518 CA ASN A 33 -4.933 -11.038 -13.063 1.00 0.81 C ATOM 519 C ASN A 33 -5.749 -12.069 -12.320 1.00 0.86 C ATOM 520 O ASN A 33 -5.667 -13.255 -12.568 1.00 1.18 O ATOM 521 CB ASN A 33 -3.928 -11.743 -13.985 1.00 0.92 C ATOM 522 CG ASN A 33 -2.744 -10.811 -14.240 1.00 2.31 C ATOM 523 OD1 ASN A 33 -2.042 -10.423 -13.331 1.00 3.16 O ATOM 524 ND2 ASN A 33 -2.487 -10.427 -15.459 1.00 3.28 N ATOM 0 H ASN A 33 -4.129 -9.237 -12.225 1.00 0.64 H new ATOM 0 HA ASN A 33 -5.578 -10.399 -13.666 1.00 0.81 H new ATOM 0 HB2 ASN A 33 -3.584 -12.671 -13.527 1.00 0.92 H new ATOM 0 HB3 ASN A 33 -4.406 -12.010 -14.927 1.00 0.92 H new ATOM 0 HD21 ASN A 33 -1.700 -9.805 -15.642 1.00 3.28 H new ATOM 0 HD22 ASN A 33 -3.073 -10.749 -16.229 1.00 3.28 H new ATOM 531 N VAL A 34 -6.531 -11.564 -11.416 1.00 1.10 N ATOM 532 CA VAL A 34 -7.387 -12.434 -10.590 1.00 1.12 C ATOM 533 C VAL A 34 -8.792 -12.684 -11.151 1.00 1.11 C ATOM 534 O VAL A 34 -9.267 -11.992 -12.029 1.00 1.11 O ATOM 535 CB VAL A 34 -7.465 -11.721 -9.235 1.00 1.12 C ATOM 536 CG1 VAL A 34 -8.517 -12.341 -8.341 1.00 1.81 C ATOM 537 CG2 VAL A 34 -6.100 -11.790 -8.537 1.00 1.93 C ATOM 0 H VAL A 34 -6.611 -10.567 -11.214 1.00 1.10 H new ATOM 0 HA VAL A 34 -6.954 -13.433 -10.542 1.00 1.12 H new ATOM 0 HB VAL A 34 -7.742 -10.683 -9.418 1.00 1.12 H new ATOM 0 HG11 VAL A 34 -8.544 -11.810 -7.389 1.00 1.81 H new ATOM 0 HG12 VAL A 34 -9.492 -12.271 -8.824 1.00 1.81 H new ATOM 0 HG13 VAL A 34 -8.274 -13.389 -8.165 1.00 1.81 H new ATOM 0 HG21 VAL A 34 -6.158 -11.283 -7.574 1.00 1.93 H new ATOM 0 HG22 VAL A 34 -5.823 -12.833 -8.382 1.00 1.93 H new ATOM 0 HG23 VAL A 34 -5.348 -11.304 -9.159 1.00 1.93 H new ATOM 547 N GLU A 35 -9.416 -13.702 -10.593 1.00 1.12 N ATOM 548 CA GLU A 35 -10.794 -14.101 -11.005 1.00 1.12 C ATOM 549 C GLU A 35 -11.528 -14.761 -9.832 1.00 1.26 C ATOM 550 O GLU A 35 -11.048 -14.768 -8.717 1.00 2.80 O ATOM 551 CB GLU A 35 -10.670 -15.133 -12.137 1.00 1.49 C ATOM 552 CG GLU A 35 -11.210 -14.534 -13.436 1.00 1.97 C ATOM 553 CD GLU A 35 -11.056 -15.557 -14.563 1.00 2.51 C ATOM 554 OE1 GLU A 35 -11.469 -16.682 -14.330 1.00 3.00 O ATOM 555 OE2 GLU A 35 -10.536 -15.158 -15.592 1.00 2.44 O ATOM 0 H GLU A 35 -9.014 -14.280 -9.855 1.00 1.12 H new ATOM 0 HA GLU A 35 -11.349 -13.219 -11.327 1.00 1.12 H new ATOM 0 HB2 GLU A 35 -9.628 -15.425 -12.265 1.00 1.49 H new ATOM 0 HB3 GLU A 35 -11.225 -16.036 -11.882 1.00 1.49 H new ATOM 0 HG2 GLU A 35 -12.259 -14.262 -13.317 1.00 1.97 H new ATOM 0 HG3 GLU A 35 -10.669 -13.620 -13.682 1.00 1.97 H new ATOM 562 N LYS A 36 -12.690 -15.275 -10.118 1.00 0.86 N ATOM 563 CA LYS A 36 -13.517 -15.953 -9.065 1.00 0.60 C ATOM 564 C LYS A 36 -14.319 -17.082 -9.699 1.00 0.46 C ATOM 565 O LYS A 36 -15.473 -16.939 -10.056 1.00 1.54 O ATOM 566 CB LYS A 36 -14.473 -14.930 -8.410 1.00 1.28 C ATOM 567 CG LYS A 36 -14.039 -13.497 -8.745 1.00 1.68 C ATOM 568 CD LYS A 36 -15.059 -12.524 -8.160 1.00 2.25 C ATOM 569 CE LYS A 36 -14.462 -11.116 -8.156 1.00 2.65 C ATOM 570 NZ LYS A 36 -14.155 -10.678 -9.546 1.00 3.18 N ATOM 0 H LYS A 36 -13.113 -15.257 -11.046 1.00 0.86 H new ATOM 0 HA LYS A 36 -12.861 -16.364 -8.298 1.00 0.60 H new ATOM 0 HB2 LYS A 36 -15.491 -15.099 -8.760 1.00 1.28 H new ATOM 0 HB3 LYS A 36 -14.480 -15.071 -7.329 1.00 1.28 H new ATOM 0 HG2 LYS A 36 -13.049 -13.297 -8.335 1.00 1.68 H new ATOM 0 HG3 LYS A 36 -13.969 -13.367 -9.825 1.00 1.68 H new ATOM 0 HD2 LYS A 36 -15.976 -12.542 -8.749 1.00 2.25 H new ATOM 0 HD3 LYS A 36 -15.325 -12.823 -7.146 1.00 2.25 H new ATOM 0 HE2 LYS A 36 -15.161 -10.419 -7.694 1.00 2.65 H new ATOM 0 HE3 LYS A 36 -13.553 -11.101 -7.554 1.00 2.65 H new ATOM 0 HZ1 LYS A 36 -13.945 -9.660 -9.551 1.00 3.18 H new ATOM 0 HZ2 LYS A 36 -13.331 -11.203 -9.901 1.00 3.18 H new ATOM 0 HZ3 LYS A 36 -14.975 -10.865 -10.158 1.00 3.18 H new ATOM 584 N GLN A 37 -13.662 -18.191 -9.839 1.00 0.93 N ATOM 585 CA GLN A 37 -14.310 -19.373 -10.438 1.00 0.54 C ATOM 586 C GLN A 37 -15.654 -19.650 -9.758 1.00 1.48 C ATOM 587 O GLN A 37 -15.767 -19.601 -8.548 1.00 1.86 O ATOM 588 CB GLN A 37 -13.322 -20.536 -10.243 1.00 0.61 C ATOM 589 CG GLN A 37 -14.032 -21.827 -9.799 1.00 2.27 C ATOM 590 CD GLN A 37 -15.100 -22.214 -10.827 1.00 3.02 C ATOM 591 OE1 GLN A 37 -16.132 -22.754 -10.490 1.00 4.76 O ATOM 592 NE2 GLN A 37 -14.890 -21.958 -12.089 1.00 2.18 N ATOM 0 H GLN A 37 -12.691 -18.328 -9.559 1.00 0.93 H new ATOM 0 HA GLN A 37 -14.531 -19.226 -11.495 1.00 0.54 H new ATOM 0 HB2 GLN A 37 -12.788 -20.718 -11.176 1.00 0.61 H new ATOM 0 HB3 GLN A 37 -12.577 -20.258 -9.498 1.00 0.61 H new ATOM 0 HG2 GLN A 37 -13.307 -22.634 -9.694 1.00 2.27 H new ATOM 0 HG3 GLN A 37 -14.491 -21.682 -8.821 1.00 2.27 H new ATOM 0 HE21 GLN A 37 -14.024 -21.504 -12.380 1.00 2.18 H new ATOM 0 HE22 GLN A 37 -15.592 -22.212 -12.784 1.00 2.18 H new ATOM 601 N GLU A 38 -16.643 -19.951 -10.558 1.00 1.95 N ATOM 602 CA GLU A 38 -17.993 -20.237 -9.989 1.00 3.01 C ATOM 603 C GLU A 38 -17.929 -21.281 -8.880 1.00 1.55 C ATOM 604 O GLU A 38 -18.023 -22.466 -9.126 1.00 1.86 O ATOM 605 CB GLU A 38 -18.897 -20.766 -11.110 1.00 4.90 C ATOM 606 CG GLU A 38 -19.805 -19.635 -11.596 1.00 6.79 C ATOM 607 CD GLU A 38 -20.695 -20.153 -12.725 1.00 7.17 C ATOM 608 OE1 GLU A 38 -20.133 -20.767 -13.619 1.00 5.72 O ATOM 609 OE2 GLU A 38 -21.886 -19.906 -12.633 1.00 9.11 O ATOM 0 H GLU A 38 -16.576 -20.011 -11.574 1.00 1.95 H new ATOM 0 HA GLU A 38 -18.387 -19.313 -9.565 1.00 3.01 H new ATOM 0 HB2 GLU A 38 -18.292 -21.143 -11.935 1.00 4.90 H new ATOM 0 HB3 GLU A 38 -19.497 -21.600 -10.747 1.00 4.90 H new ATOM 0 HG2 GLU A 38 -20.418 -19.266 -10.774 1.00 6.79 H new ATOM 0 HG3 GLU A 38 -19.204 -18.796 -11.947 1.00 6.79 H new ATOM 616 N GLY A 39 -17.787 -20.816 -7.674 1.00 0.74 N ATOM 617 CA GLY A 39 -17.715 -21.761 -6.527 1.00 0.93 C ATOM 618 C GLY A 39 -17.038 -21.094 -5.329 1.00 1.57 C ATOM 619 O GLY A 39 -17.022 -21.638 -4.243 1.00 3.81 O ATOM 0 H GLY A 39 -17.718 -19.828 -7.432 1.00 0.74 H new ATOM 0 HA2 GLY A 39 -18.718 -22.086 -6.252 1.00 0.93 H new ATOM 0 HA3 GLY A 39 -17.160 -22.653 -6.817 1.00 0.93 H new ATOM 623 N GLY A 40 -16.491 -19.930 -5.553 1.00 0.49 N ATOM 624 CA GLY A 40 -15.812 -19.214 -4.443 1.00 0.19 C ATOM 625 C GLY A 40 -14.322 -19.551 -4.456 1.00 0.22 C ATOM 626 O GLY A 40 -13.748 -19.864 -3.431 1.00 0.46 O ATOM 0 H GLY A 40 -16.486 -19.449 -6.452 1.00 0.49 H new ATOM 0 HA2 GLY A 40 -15.953 -18.138 -4.549 1.00 0.19 H new ATOM 0 HA3 GLY A 40 -16.252 -19.501 -3.488 1.00 0.19 H new ATOM 630 N TRP A 41 -13.723 -19.481 -5.621 1.00 0.08 N ATOM 631 CA TRP A 41 -12.275 -19.794 -5.723 1.00 0.10 C ATOM 632 C TRP A 41 -11.683 -18.806 -6.695 1.00 0.17 C ATOM 633 O TRP A 41 -12.226 -18.578 -7.756 1.00 0.25 O ATOM 634 CB TRP A 41 -12.112 -21.268 -6.120 1.00 0.10 C ATOM 635 CG TRP A 41 -12.654 -22.029 -4.911 1.00 0.16 C ATOM 636 CD1 TRP A 41 -13.954 -22.292 -4.738 1.00 0.23 C ATOM 637 CD2 TRP A 41 -12.020 -22.148 -3.737 1.00 0.16 C ATOM 638 NE1 TRP A 41 -14.070 -22.530 -3.430 1.00 0.27 N ATOM 639 CE2 TRP A 41 -12.916 -22.451 -2.730 1.00 0.23 C ATOM 640 CE3 TRP A 41 -10.683 -21.998 -3.440 1.00 0.13 C ATOM 641 CZ2 TRP A 41 -12.481 -22.572 -1.424 1.00 0.25 C ATOM 642 CZ3 TRP A 41 -10.242 -22.132 -2.138 1.00 0.15 C ATOM 643 CH2 TRP A 41 -11.150 -22.412 -1.121 1.00 0.20 C ATOM 0 H TRP A 41 -14.177 -19.222 -6.497 1.00 0.08 H new ATOM 0 HA TRP A 41 -11.738 -19.688 -4.781 1.00 0.10 H new ATOM 0 HB2 TRP A 41 -12.671 -21.503 -7.025 1.00 0.10 H new ATOM 0 HB3 TRP A 41 -11.069 -21.517 -6.316 1.00 0.10 H new ATOM 0 HD1 TRP A 41 -14.732 -22.308 -5.486 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -14.963 -22.755 -2.991 1.00 0.27 H new ATOM 0 HE3 TRP A 41 -9.978 -21.775 -4.227 1.00 0.13 H new ATOM 0 HZ2 TRP A 41 -13.189 -22.793 -0.639 1.00 0.25 H new ATOM 0 HZ3 TRP A 41 -9.193 -22.020 -1.909 1.00 0.15 H new ATOM 0 HH2 TRP A 41 -10.811 -22.503 -0.100 1.00 0.20 H new ATOM 654 N TRP A 42 -10.582 -18.236 -6.316 1.00 0.25 N ATOM 655 CA TRP A 42 -9.942 -17.242 -7.185 1.00 0.26 C ATOM 656 C TRP A 42 -8.640 -17.663 -7.844 1.00 0.26 C ATOM 657 O TRP A 42 -7.834 -18.312 -7.235 1.00 0.52 O ATOM 658 CB TRP A 42 -9.547 -16.119 -6.244 1.00 0.28 C ATOM 659 CG TRP A 42 -10.769 -15.480 -5.617 1.00 0.29 C ATOM 660 CD1 TRP A 42 -11.830 -16.163 -5.181 1.00 0.25 C ATOM 661 CD2 TRP A 42 -10.994 -14.185 -5.556 1.00 0.36 C ATOM 662 NE1 TRP A 42 -12.701 -15.200 -4.916 1.00 0.30 N ATOM 663 CE2 TRP A 42 -12.262 -13.944 -5.107 1.00 0.38 C ATOM 664 CE3 TRP A 42 -10.139 -13.147 -5.801 1.00 0.44 C ATOM 665 CZ2 TRP A 42 -12.697 -12.660 -4.912 1.00 0.46 C ATOM 666 CZ3 TRP A 42 -10.570 -11.850 -5.608 1.00 0.52 C ATOM 667 CH2 TRP A 42 -11.850 -11.608 -5.160 1.00 0.53 C ATOM 0 H TRP A 42 -10.101 -18.421 -5.436 1.00 0.25 H new ATOM 0 HA TRP A 42 -10.645 -17.021 -7.988 1.00 0.26 H new ATOM 0 HB2 TRP A 42 -8.894 -16.508 -5.462 1.00 0.28 H new ATOM 0 HB3 TRP A 42 -8.978 -15.366 -6.789 1.00 0.28 H new ATOM 0 HD1 TRP A 42 -11.949 -17.231 -5.072 1.00 0.25 H new ATOM 0 HE1 TRP A 42 -13.646 -15.400 -4.588 1.00 0.30 H new ATOM 0 HE3 TRP A 42 -9.133 -13.340 -6.143 1.00 0.44 H new ATOM 0 HZ2 TRP A 42 -13.703 -12.476 -4.564 1.00 0.46 H new ATOM 0 HZ3 TRP A 42 -9.903 -11.024 -5.808 1.00 0.52 H new ATOM 0 HH2 TRP A 42 -12.186 -10.594 -5.004 1.00 0.53 H new ATOM 678 N ARG A 43 -8.437 -17.209 -9.055 1.00 0.33 N ATOM 679 CA ARG A 43 -7.185 -17.556 -9.781 1.00 0.33 C ATOM 680 C ARG A 43 -6.332 -16.300 -9.879 1.00 0.32 C ATOM 681 O ARG A 43 -6.742 -15.270 -9.421 1.00 0.34 O ATOM 682 CB ARG A 43 -7.509 -18.007 -11.197 1.00 0.35 C ATOM 683 CG ARG A 43 -6.836 -19.359 -11.453 1.00 0.35 C ATOM 684 CD ARG A 43 -7.008 -19.764 -12.922 1.00 0.46 C ATOM 685 NE ARG A 43 -5.867 -20.645 -13.308 1.00 1.50 N ATOM 686 CZ ARG A 43 -5.820 -21.156 -14.506 1.00 1.80 C ATOM 687 NH1 ARG A 43 -6.430 -20.544 -15.482 1.00 2.23 N ATOM 688 NH2 ARG A 43 -5.155 -22.263 -14.689 1.00 1.69 N ATOM 0 H ARG A 43 -9.086 -16.613 -9.569 1.00 0.33 H new ATOM 0 HA ARG A 43 -6.668 -18.355 -9.249 1.00 0.33 H new ATOM 0 HB2 ARG A 43 -8.588 -18.092 -11.328 1.00 0.35 H new ATOM 0 HB3 ARG A 43 -7.158 -17.268 -11.918 1.00 0.35 H new ATOM 0 HG2 ARG A 43 -5.776 -19.299 -11.206 1.00 0.35 H new ATOM 0 HG3 ARG A 43 -7.272 -20.119 -10.805 1.00 0.35 H new ATOM 0 HD2 ARG A 43 -7.954 -20.287 -13.062 1.00 0.46 H new ATOM 0 HD3 ARG A 43 -7.035 -18.879 -13.558 1.00 0.46 H new ATOM 0 HE ARG A 43 -5.126 -20.847 -12.636 1.00 1.50 H new ATOM 0 HH11 ARG A 43 -6.936 -19.676 -15.303 1.00 2.23 H new ATOM 0 HH12 ARG A 43 -6.401 -20.933 -16.425 1.00 2.23 H new ATOM 0 HH21 ARG A 43 -4.685 -22.711 -13.903 1.00 1.69 H new ATOM 0 HH22 ARG A 43 -5.105 -22.680 -15.618 1.00 1.69 H new ATOM 702 N GLY A 44 -5.160 -16.403 -10.461 1.00 0.29 N ATOM 703 CA GLY A 44 -4.268 -15.208 -10.590 1.00 0.29 C ATOM 704 C GLY A 44 -2.835 -15.596 -10.182 1.00 0.32 C ATOM 705 O GLY A 44 -2.624 -16.486 -9.385 1.00 0.45 O ATOM 0 H GLY A 44 -4.783 -17.266 -10.853 1.00 0.29 H new ATOM 0 HA2 GLY A 44 -4.279 -14.841 -11.616 1.00 0.29 H new ATOM 0 HA3 GLY A 44 -4.632 -14.398 -9.957 1.00 0.29 H new ATOM 709 N ASP A 45 -1.889 -14.919 -10.753 1.00 0.20 N ATOM 710 CA ASP A 45 -0.453 -15.207 -10.440 1.00 0.22 C ATOM 711 C ASP A 45 -0.020 -14.698 -9.061 1.00 0.20 C ATOM 712 O ASP A 45 -0.531 -13.722 -8.560 1.00 0.20 O ATOM 713 CB ASP A 45 0.410 -14.502 -11.493 1.00 0.25 C ATOM 714 CG ASP A 45 -0.440 -14.183 -12.725 1.00 2.78 C ATOM 715 OD1 ASP A 45 -1.263 -15.022 -13.048 1.00 4.85 O ATOM 716 OD2 ASP A 45 -0.216 -13.116 -13.276 1.00 2.81 O ATOM 0 H ASP A 45 -2.040 -14.171 -11.430 1.00 0.20 H new ATOM 0 HA ASP A 45 -0.328 -16.290 -10.445 1.00 0.22 H new ATOM 0 HB2 ASP A 45 0.828 -13.584 -11.080 1.00 0.25 H new ATOM 0 HB3 ASP A 45 1.250 -15.137 -11.773 1.00 0.25 H new ATOM 721 N TYR A 46 0.947 -15.370 -8.491 1.00 0.30 N ATOM 722 CA TYR A 46 1.453 -14.963 -7.150 1.00 0.28 C ATOM 723 C TYR A 46 2.801 -15.620 -6.871 1.00 0.32 C ATOM 724 O TYR A 46 3.056 -16.084 -5.778 1.00 0.24 O ATOM 725 CB TYR A 46 0.456 -15.427 -6.086 1.00 0.22 C ATOM 726 CG TYR A 46 0.915 -14.838 -4.756 1.00 0.25 C ATOM 727 CD1 TYR A 46 1.008 -13.468 -4.615 1.00 0.26 C ATOM 728 CD2 TYR A 46 1.413 -15.645 -3.743 1.00 0.31 C ATOM 729 CE1 TYR A 46 1.599 -12.919 -3.519 1.00 0.36 C ATOM 730 CE2 TYR A 46 2.011 -15.084 -2.643 1.00 0.40 C ATOM 731 CZ TYR A 46 2.107 -13.714 -2.516 1.00 0.43 C ATOM 732 OH TYR A 46 2.701 -13.152 -1.404 1.00 0.54 O ATOM 0 H TYR A 46 1.407 -16.184 -8.899 1.00 0.30 H new ATOM 0 HA TYR A 46 1.569 -13.879 -7.127 1.00 0.28 H new ATOM 0 HB2 TYR A 46 -0.552 -15.090 -6.329 1.00 0.22 H new ATOM 0 HB3 TYR A 46 0.425 -16.515 -6.035 1.00 0.22 H new ATOM 0 HD1 TYR A 46 0.607 -12.824 -5.384 1.00 0.26 H new ATOM 0 HD2 TYR A 46 1.330 -16.719 -3.821 1.00 0.31 H new ATOM 0 HE1 TYR A 46 1.671 -11.845 -3.435 1.00 0.36 H new ATOM 0 HE2 TYR A 46 2.411 -15.722 -1.869 1.00 0.40 H new ATOM 0 HH TYR A 46 3.001 -13.862 -0.799 1.00 0.54 H new ATOM 742 N GLY A 47 3.639 -15.655 -7.875 1.00 0.47 N ATOM 743 CA GLY A 47 4.982 -16.277 -7.691 1.00 0.52 C ATOM 744 C GLY A 47 5.513 -16.836 -9.019 1.00 0.50 C ATOM 745 O GLY A 47 5.208 -16.318 -10.076 1.00 0.49 O ATOM 0 H GLY A 47 3.453 -15.283 -8.806 1.00 0.47 H new ATOM 0 HA2 GLY A 47 5.679 -15.537 -7.298 1.00 0.52 H new ATOM 0 HA3 GLY A 47 4.919 -17.078 -6.954 1.00 0.52 H new ATOM 749 N GLY A 48 6.296 -17.883 -8.940 1.00 0.50 N ATOM 750 CA GLY A 48 6.853 -18.486 -10.188 1.00 0.48 C ATOM 751 C GLY A 48 5.739 -19.129 -11.014 1.00 0.44 C ATOM 752 O GLY A 48 5.927 -19.474 -12.165 1.00 0.44 O ATOM 0 H GLY A 48 6.572 -18.343 -8.072 1.00 0.50 H new ATOM 0 HA2 GLY A 48 7.354 -17.719 -10.778 1.00 0.48 H new ATOM 0 HA3 GLY A 48 7.604 -19.234 -9.934 1.00 0.48 H new ATOM 756 N LYS A 49 4.597 -19.278 -10.403 1.00 0.42 N ATOM 757 CA LYS A 49 3.456 -19.893 -11.125 1.00 0.40 C ATOM 758 C LYS A 49 2.573 -18.809 -11.715 1.00 0.29 C ATOM 759 O LYS A 49 2.822 -17.633 -11.523 1.00 0.31 O ATOM 760 CB LYS A 49 2.635 -20.709 -10.127 1.00 0.51 C ATOM 761 CG LYS A 49 2.880 -22.215 -10.351 1.00 1.17 C ATOM 762 CD LYS A 49 2.323 -22.644 -11.726 1.00 1.40 C ATOM 763 CE LYS A 49 3.442 -23.069 -12.697 1.00 2.06 C ATOM 764 NZ LYS A 49 3.108 -22.632 -14.083 1.00 3.03 N ATOM 0 H LYS A 49 4.408 -19.001 -9.440 1.00 0.42 H new ATOM 0 HA LYS A 49 3.830 -20.529 -11.927 1.00 0.40 H new ATOM 0 HB2 LYS A 49 2.909 -20.435 -9.108 1.00 0.51 H new ATOM 0 HB3 LYS A 49 1.575 -20.483 -10.244 1.00 0.51 H new ATOM 0 HG2 LYS A 49 3.947 -22.429 -10.299 1.00 1.17 H new ATOM 0 HG3 LYS A 49 2.400 -22.791 -9.560 1.00 1.17 H new ATOM 0 HD2 LYS A 49 1.626 -23.471 -11.592 1.00 1.40 H new ATOM 0 HD3 LYS A 49 1.759 -21.819 -12.162 1.00 1.40 H new ATOM 0 HE2 LYS A 49 4.390 -22.630 -12.387 1.00 2.06 H new ATOM 0 HE3 LYS A 49 3.568 -24.151 -12.669 1.00 2.06 H new ATOM 0 HZ1 LYS A 49 3.868 -22.923 -14.731 1.00 3.03 H new ATOM 0 HZ2 LYS A 49 2.213 -23.071 -14.379 1.00 3.03 H new ATOM 0 HZ3 LYS A 49 3.010 -21.597 -14.107 1.00 3.03 H new ATOM 778 N LYS A 50 1.556 -19.215 -12.419 1.00 0.29 N ATOM 779 CA LYS A 50 0.660 -18.211 -13.021 1.00 0.20 C ATOM 780 C LYS A 50 -0.780 -18.701 -13.064 1.00 0.27 C ATOM 781 O LYS A 50 -1.142 -19.530 -13.873 1.00 0.28 O ATOM 782 CB LYS A 50 1.147 -17.923 -14.446 1.00 0.14 C ATOM 783 CG LYS A 50 1.071 -16.412 -14.698 1.00 0.40 C ATOM 784 CD LYS A 50 1.641 -16.090 -16.083 1.00 1.34 C ATOM 785 CE LYS A 50 2.369 -14.746 -16.020 1.00 2.20 C ATOM 786 NZ LYS A 50 3.498 -14.806 -15.049 1.00 2.74 N ATOM 0 H LYS A 50 1.313 -20.189 -12.599 1.00 0.29 H new ATOM 0 HA LYS A 50 0.683 -17.307 -12.412 1.00 0.20 H new ATOM 0 HB2 LYS A 50 2.170 -18.276 -14.574 1.00 0.14 H new ATOM 0 HB3 LYS A 50 0.533 -18.458 -15.170 1.00 0.14 H new ATOM 0 HG2 LYS A 50 0.037 -16.074 -14.632 1.00 0.40 H new ATOM 0 HG3 LYS A 50 1.630 -15.877 -13.931 1.00 0.40 H new ATOM 0 HD2 LYS A 50 2.327 -16.876 -16.400 1.00 1.34 H new ATOM 0 HD3 LYS A 50 0.839 -16.050 -16.820 1.00 1.34 H new ATOM 0 HE2 LYS A 50 2.746 -14.484 -17.009 1.00 2.20 H new ATOM 0 HE3 LYS A 50 1.671 -13.962 -15.727 1.00 2.20 H new ATOM 0 HZ1 LYS A 50 4.298 -14.249 -15.412 1.00 2.74 H new ATOM 0 HZ2 LYS A 50 3.191 -14.416 -14.135 1.00 2.74 H new ATOM 0 HZ3 LYS A 50 3.794 -15.795 -14.922 1.00 2.74 H new ATOM 800 N GLN A 51 -1.547 -18.171 -12.152 1.00 0.31 N ATOM 801 CA GLN A 51 -2.990 -18.519 -12.035 1.00 0.36 C ATOM 802 C GLN A 51 -3.232 -19.801 -11.246 1.00 0.20 C ATOM 803 O GLN A 51 -3.566 -20.829 -11.803 1.00 0.29 O ATOM 804 CB GLN A 51 -3.634 -18.659 -13.428 1.00 0.54 C ATOM 805 CG GLN A 51 -3.102 -17.571 -14.369 1.00 0.68 C ATOM 806 CD GLN A 51 -4.271 -16.936 -15.125 1.00 0.75 C ATOM 807 OE1 GLN A 51 -5.108 -17.615 -15.687 1.00 1.33 O ATOM 808 NE2 GLN A 51 -4.365 -15.635 -15.164 1.00 1.09 N ATOM 0 H GLN A 51 -1.223 -17.492 -11.464 1.00 0.31 H new ATOM 0 HA GLN A 51 -3.452 -17.697 -11.488 1.00 0.36 H new ATOM 0 HB2 GLN A 51 -3.417 -19.644 -13.840 1.00 0.54 H new ATOM 0 HB3 GLN A 51 -4.718 -18.580 -13.345 1.00 0.54 H new ATOM 0 HG2 GLN A 51 -2.568 -16.811 -13.799 1.00 0.68 H new ATOM 0 HG3 GLN A 51 -2.390 -18.001 -15.073 1.00 0.68 H new ATOM 0 HE21 GLN A 51 -3.666 -15.059 -14.695 1.00 1.09 H new ATOM 0 HE22 GLN A 51 -5.137 -15.194 -15.664 1.00 1.09 H new ATOM 817 N LEU A 52 -3.043 -19.705 -9.956 1.00 0.07 N ATOM 818 CA LEU A 52 -3.257 -20.886 -9.079 1.00 0.13 C ATOM 819 C LEU A 52 -4.640 -20.716 -8.438 1.00 0.13 C ATOM 820 O LEU A 52 -5.569 -20.383 -9.145 1.00 0.32 O ATOM 821 CB LEU A 52 -2.140 -20.932 -8.001 1.00 0.27 C ATOM 822 CG LEU A 52 -0.734 -21.285 -8.602 1.00 0.24 C ATOM 823 CD1 LEU A 52 0.037 -22.202 -7.638 1.00 0.45 C ATOM 824 CD2 LEU A 52 -0.818 -22.011 -9.949 1.00 0.14 C ATOM 0 H LEU A 52 -2.749 -18.856 -9.474 1.00 0.07 H new ATOM 0 HA LEU A 52 -3.216 -21.822 -9.637 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -2.084 -19.966 -7.500 1.00 0.27 H new ATOM 0 HB3 LEU A 52 -2.402 -21.670 -7.243 1.00 0.27 H new ATOM 0 HG LEU A 52 -0.227 -20.331 -8.750 1.00 0.24 H new ATOM 0 HD11 LEU A 52 1.011 -22.441 -8.064 1.00 0.45 H new ATOM 0 HD12 LEU A 52 0.173 -21.694 -6.683 1.00 0.45 H new ATOM 0 HD13 LEU A 52 -0.526 -23.122 -7.482 1.00 0.45 H new ATOM 0 HD21 LEU A 52 0.188 -22.226 -10.310 1.00 0.14 H new ATOM 0 HD22 LEU A 52 -1.367 -22.945 -9.825 1.00 0.14 H new ATOM 0 HD23 LEU A 52 -1.335 -21.379 -10.671 1.00 0.14 H new ATOM 836 N TRP A 53 -4.789 -20.944 -7.150 1.00 0.18 N ATOM 837 CA TRP A 53 -6.160 -20.764 -6.564 1.00 0.15 C ATOM 838 C TRP A 53 -6.189 -20.161 -5.172 1.00 0.10 C ATOM 839 O TRP A 53 -5.337 -20.429 -4.353 1.00 0.12 O ATOM 840 CB TRP A 53 -6.829 -22.124 -6.451 1.00 0.18 C ATOM 841 CG TRP A 53 -7.318 -22.517 -7.826 1.00 0.26 C ATOM 842 CD1 TRP A 53 -6.762 -23.498 -8.519 1.00 0.45 C ATOM 843 CD2 TRP A 53 -8.232 -21.879 -8.563 1.00 0.16 C ATOM 844 NE1 TRP A 53 -7.366 -23.435 -9.705 1.00 0.43 N ATOM 845 CE2 TRP A 53 -8.293 -22.448 -9.823 1.00 0.24 C ATOM 846 CE3 TRP A 53 -9.025 -20.778 -8.270 1.00 0.15 C ATOM 847 CZ2 TRP A 53 -9.132 -21.922 -10.785 1.00 0.16 C ATOM 848 CZ3 TRP A 53 -9.861 -20.251 -9.238 1.00 0.19 C ATOM 849 CH2 TRP A 53 -9.911 -20.824 -10.494 1.00 0.11 C ATOM 0 H TRP A 53 -4.055 -21.234 -6.504 1.00 0.18 H new ATOM 0 HA TRP A 53 -6.668 -20.073 -7.237 1.00 0.15 H new ATOM 0 HB2 TRP A 53 -6.126 -22.865 -6.070 1.00 0.18 H new ATOM 0 HB3 TRP A 53 -7.661 -22.083 -5.748 1.00 0.18 H new ATOM 0 HD1 TRP A 53 -5.997 -24.189 -8.198 1.00 0.45 H new ATOM 0 HE1 TRP A 53 -7.149 -24.078 -10.466 1.00 0.43 H new ATOM 0 HE3 TRP A 53 -8.989 -20.333 -7.287 1.00 0.15 H new ATOM 0 HZ2 TRP A 53 -9.178 -22.372 -11.766 1.00 0.16 H new ATOM 0 HZ3 TRP A 53 -10.475 -19.392 -9.012 1.00 0.19 H new ATOM 0 HH2 TRP A 53 -10.562 -20.410 -11.249 1.00 0.11 H new ATOM 860 N PHE A 54 -7.172 -19.320 -4.944 1.00 0.06 N ATOM 861 CA PHE A 54 -7.295 -18.684 -3.609 1.00 0.00 C ATOM 862 C PHE A 54 -8.790 -18.609 -3.210 1.00 0.05 C ATOM 863 O PHE A 54 -9.592 -18.075 -3.937 1.00 0.08 O ATOM 864 CB PHE A 54 -6.749 -17.234 -3.586 1.00 0.09 C ATOM 865 CG PHE A 54 -6.095 -16.832 -4.885 1.00 0.08 C ATOM 866 CD1 PHE A 54 -5.043 -17.549 -5.387 1.00 0.11 C ATOM 867 CD2 PHE A 54 -6.580 -15.753 -5.595 1.00 0.13 C ATOM 868 CE1 PHE A 54 -4.493 -17.217 -6.590 1.00 0.18 C ATOM 869 CE2 PHE A 54 -6.042 -15.415 -6.790 1.00 0.18 C ATOM 870 CZ PHE A 54 -4.987 -16.154 -7.297 1.00 0.20 C ATOM 0 H PHE A 54 -7.885 -19.054 -5.623 1.00 0.06 H new ATOM 0 HA PHE A 54 -6.712 -19.295 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.567 -16.547 -3.369 1.00 0.09 H new ATOM 0 HB3 PHE A 54 -6.026 -17.136 -2.776 1.00 0.09 H new ATOM 0 HD1 PHE A 54 -4.646 -18.383 -4.827 1.00 0.11 H new ATOM 0 HD2 PHE A 54 -7.397 -15.172 -5.193 1.00 0.13 H new ATOM 0 HE1 PHE A 54 -3.668 -17.792 -6.985 1.00 0.18 H new ATOM 0 HE2 PHE A 54 -6.433 -14.575 -7.344 1.00 0.18 H new ATOM 0 HZ PHE A 54 -4.553 -15.892 -8.251 1.00 0.20 H new ATOM 880 N PRO A 55 -9.145 -19.124 -2.059 1.00 0.07 N ATOM 881 CA PRO A 55 -10.547 -19.096 -1.591 1.00 0.11 C ATOM 882 C PRO A 55 -11.190 -17.721 -1.624 1.00 0.13 C ATOM 883 O PRO A 55 -10.531 -16.706 -1.511 1.00 0.16 O ATOM 884 CB PRO A 55 -10.452 -19.492 -0.129 1.00 0.12 C ATOM 885 CG PRO A 55 -9.039 -20.100 0.096 1.00 0.08 C ATOM 886 CD PRO A 55 -8.200 -19.731 -1.108 1.00 0.05 C ATOM 0 HA PRO A 55 -11.150 -19.738 -2.233 1.00 0.11 H new ATOM 0 HB2 PRO A 55 -10.604 -18.625 0.514 1.00 0.12 H new ATOM 0 HB3 PRO A 55 -11.226 -20.216 0.124 1.00 0.12 H new ATOM 0 HG2 PRO A 55 -8.593 -19.710 1.011 1.00 0.08 H new ATOM 0 HG3 PRO A 55 -9.099 -21.183 0.207 1.00 0.08 H new ATOM 0 HD2 PRO A 55 -7.408 -19.032 -0.838 1.00 0.05 H new ATOM 0 HD3 PRO A 55 -7.718 -20.609 -1.537 1.00 0.05 H new ATOM 894 N SER A 56 -12.480 -17.731 -1.795 1.00 0.14 N ATOM 895 CA SER A 56 -13.238 -16.463 -1.833 1.00 0.15 C ATOM 896 C SER A 56 -13.654 -16.273 -0.394 1.00 0.24 C ATOM 897 O SER A 56 -14.406 -15.391 -0.034 1.00 0.25 O ATOM 898 CB SER A 56 -14.492 -16.625 -2.705 1.00 0.14 C ATOM 899 OG SER A 56 -13.991 -17.015 -3.970 1.00 2.45 O ATOM 0 H SER A 56 -13.043 -18.574 -1.911 1.00 0.14 H new ATOM 0 HA SER A 56 -12.663 -15.632 -2.241 1.00 0.15 H new ATOM 0 HB2 SER A 56 -15.167 -17.377 -2.296 1.00 0.14 H new ATOM 0 HB3 SER A 56 -15.054 -15.694 -2.770 1.00 0.14 H new ATOM 0 HG SER A 56 -13.072 -16.691 -4.072 1.00 2.45 H new ATOM 905 N ASN A 57 -13.101 -17.168 0.392 1.00 0.31 N ATOM 906 CA ASN A 57 -13.350 -17.202 1.831 1.00 0.41 C ATOM 907 C ASN A 57 -12.123 -16.649 2.505 1.00 0.42 C ATOM 908 O ASN A 57 -12.131 -16.332 3.681 1.00 0.48 O ATOM 909 CB ASN A 57 -13.504 -18.678 2.248 1.00 0.38 C ATOM 910 CG ASN A 57 -14.925 -18.902 2.765 1.00 0.46 C ATOM 911 OD1 ASN A 57 -15.592 -19.848 2.400 1.00 1.66 O ATOM 912 ND2 ASN A 57 -15.424 -18.048 3.617 1.00 0.88 N ATOM 0 H ASN A 57 -12.466 -17.895 0.062 1.00 0.31 H new ATOM 0 HA ASN A 57 -14.240 -16.632 2.099 1.00 0.41 H new ATOM 0 HB2 ASN A 57 -13.304 -19.332 1.399 1.00 0.38 H new ATOM 0 HB3 ASN A 57 -12.778 -18.929 3.021 1.00 0.38 H new ATOM 0 HD21 ASN A 57 -16.371 -18.177 3.973 1.00 0.88 H new ATOM 0 HD22 ASN A 57 -14.867 -17.252 3.926 1.00 0.88 H new ATOM 919 N TYR A 58 -11.078 -16.560 1.718 1.00 0.41 N ATOM 920 CA TYR A 58 -9.806 -16.033 2.251 1.00 0.46 C ATOM 921 C TYR A 58 -9.474 -14.662 1.662 1.00 0.61 C ATOM 922 O TYR A 58 -9.046 -13.772 2.371 1.00 1.36 O ATOM 923 CB TYR A 58 -8.654 -16.989 1.888 1.00 0.26 C ATOM 924 CG TYR A 58 -8.509 -18.112 2.940 1.00 0.17 C ATOM 925 CD1 TYR A 58 -9.504 -19.084 3.139 1.00 0.23 C ATOM 926 CD2 TYR A 58 -7.381 -18.147 3.742 1.00 0.19 C ATOM 927 CE1 TYR A 58 -9.352 -20.035 4.129 1.00 0.36 C ATOM 928 CE2 TYR A 58 -7.243 -19.104 4.726 1.00 0.34 C ATOM 929 CZ TYR A 58 -8.226 -20.053 4.926 1.00 0.43 C ATOM 930 OH TYR A 58 -8.087 -21.002 5.918 1.00 0.60 O ATOM 0 H TYR A 58 -11.061 -16.831 0.735 1.00 0.41 H new ATOM 0 HA TYR A 58 -9.920 -15.944 3.331 1.00 0.46 H new ATOM 0 HB2 TYR A 58 -8.837 -17.427 0.907 1.00 0.26 H new ATOM 0 HB3 TYR A 58 -7.721 -16.429 1.818 1.00 0.26 H new ATOM 0 HD1 TYR A 58 -10.388 -19.087 2.518 1.00 0.23 H new ATOM 0 HD2 TYR A 58 -6.600 -17.416 3.595 1.00 0.19 H new ATOM 0 HE1 TYR A 58 -10.125 -20.774 4.281 1.00 0.36 H new ATOM 0 HE2 TYR A 58 -6.358 -19.111 5.345 1.00 0.34 H new ATOM 0 HH TYR A 58 -7.234 -20.868 6.381 1.00 0.60 H new ATOM 940 N VAL A 59 -9.670 -14.520 0.373 1.00 0.45 N ATOM 941 CA VAL A 59 -9.368 -13.218 -0.276 1.00 0.39 C ATOM 942 C VAL A 59 -10.612 -12.381 -0.534 1.00 0.59 C ATOM 943 O VAL A 59 -11.687 -12.891 -0.781 1.00 1.17 O ATOM 944 CB VAL A 59 -8.671 -13.505 -1.612 1.00 0.45 C ATOM 945 CG1 VAL A 59 -7.773 -14.718 -1.414 1.00 0.51 C ATOM 946 CG2 VAL A 59 -9.692 -13.785 -2.742 1.00 0.55 C ATOM 0 H VAL A 59 -10.024 -15.247 -0.249 1.00 0.45 H new ATOM 0 HA VAL A 59 -8.734 -12.644 0.400 1.00 0.39 H new ATOM 0 HB VAL A 59 -8.092 -12.631 -1.912 1.00 0.45 H new ATOM 0 HG11 VAL A 59 -7.262 -14.949 -2.349 1.00 0.51 H new ATOM 0 HG12 VAL A 59 -7.036 -14.503 -0.641 1.00 0.51 H new ATOM 0 HG13 VAL A 59 -8.378 -15.573 -1.111 1.00 0.51 H new ATOM 0 HG21 VAL A 59 -9.160 -13.984 -3.672 1.00 0.55 H new ATOM 0 HG22 VAL A 59 -10.298 -14.652 -2.478 1.00 0.55 H new ATOM 0 HG23 VAL A 59 -10.338 -12.917 -2.872 1.00 0.55 H new ATOM 956 N GLU A 60 -10.425 -11.100 -0.453 1.00 0.85 N ATOM 957 CA GLU A 60 -11.544 -10.160 -0.681 1.00 0.94 C ATOM 958 C GLU A 60 -10.975 -8.882 -1.273 1.00 1.10 C ATOM 959 O GLU A 60 -9.956 -8.393 -0.829 1.00 1.34 O ATOM 960 CB GLU A 60 -12.208 -9.843 0.660 1.00 1.30 C ATOM 961 CG GLU A 60 -13.628 -10.411 0.683 1.00 1.50 C ATOM 962 CD GLU A 60 -14.342 -9.921 1.943 1.00 1.67 C ATOM 963 OE1 GLU A 60 -14.369 -8.712 2.115 1.00 1.94 O ATOM 964 OE2 GLU A 60 -14.825 -10.781 2.662 1.00 1.62 O ATOM 0 H GLU A 60 -9.531 -10.659 -0.235 1.00 0.85 H new ATOM 0 HA GLU A 60 -12.279 -10.596 -1.357 1.00 0.94 H new ATOM 0 HB2 GLU A 60 -11.623 -10.269 1.475 1.00 1.30 H new ATOM 0 HB3 GLU A 60 -12.235 -8.765 0.817 1.00 1.30 H new ATOM 0 HG2 GLU A 60 -14.174 -10.095 -0.206 1.00 1.50 H new ATOM 0 HG3 GLU A 60 -13.598 -11.500 0.668 1.00 1.50 H new ATOM 971 N GLU A 61 -11.632 -8.362 -2.257 1.00 1.01 N ATOM 972 CA GLU A 61 -11.122 -7.118 -2.877 1.00 1.28 C ATOM 973 C GLU A 61 -10.699 -6.090 -1.829 1.00 1.63 C ATOM 974 O GLU A 61 -11.376 -5.880 -0.846 1.00 2.87 O ATOM 975 CB GLU A 61 -12.233 -6.510 -3.734 1.00 1.44 C ATOM 976 CG GLU A 61 -12.703 -7.545 -4.762 1.00 1.26 C ATOM 977 CD GLU A 61 -13.991 -7.050 -5.420 1.00 2.68 C ATOM 978 OE1 GLU A 61 -14.716 -6.350 -4.734 1.00 3.53 O ATOM 979 OE2 GLU A 61 -14.181 -7.407 -6.569 1.00 3.15 O ATOM 0 H GLU A 61 -12.492 -8.737 -2.658 1.00 1.01 H new ATOM 0 HA GLU A 61 -10.248 -7.372 -3.476 1.00 1.28 H new ATOM 0 HB2 GLU A 61 -13.067 -6.202 -3.104 1.00 1.44 H new ATOM 0 HB3 GLU A 61 -11.869 -5.616 -4.241 1.00 1.44 H new ATOM 0 HG2 GLU A 61 -11.932 -7.702 -5.516 1.00 1.26 H new ATOM 0 HG3 GLU A 61 -12.874 -8.506 -4.276 1.00 1.26 H new ATOM 986 N MET A 62 -9.579 -5.488 -2.102 1.00 0.75 N ATOM 987 CA MET A 62 -8.978 -4.445 -1.217 1.00 0.81 C ATOM 988 C MET A 62 -9.913 -3.874 -0.137 1.00 1.28 C ATOM 989 O MET A 62 -10.314 -2.734 -0.204 1.00 1.94 O ATOM 990 CB MET A 62 -8.534 -3.305 -2.136 1.00 1.06 C ATOM 991 CG MET A 62 -7.154 -3.632 -2.699 1.00 0.74 C ATOM 992 SD MET A 62 -5.725 -3.134 -1.709 1.00 2.27 S ATOM 993 CE MET A 62 -4.450 -3.699 -2.858 1.00 0.83 C ATOM 0 H MET A 62 -9.029 -5.683 -2.939 1.00 0.75 H new ATOM 0 HA MET A 62 -8.166 -4.917 -0.663 1.00 0.81 H new ATOM 0 HB2 MET A 62 -9.250 -3.174 -2.947 1.00 1.06 H new ATOM 0 HB3 MET A 62 -8.503 -2.366 -1.583 1.00 1.06 H new ATOM 0 HG2 MET A 62 -7.099 -4.709 -2.856 1.00 0.74 H new ATOM 0 HG3 MET A 62 -7.068 -3.162 -3.679 1.00 0.74 H new ATOM 0 HE1 MET A 62 -3.465 -3.488 -2.441 1.00 0.83 H new ATOM 0 HE2 MET A 62 -4.554 -4.772 -3.018 1.00 0.83 H new ATOM 0 HE3 MET A 62 -4.561 -3.178 -3.809 1.00 0.83 H new ATOM 1003 N VAL A 63 -10.220 -4.690 0.836 1.00 1.24 N ATOM 1004 CA VAL A 63 -11.105 -4.285 1.954 1.00 1.85 C ATOM 1005 C VAL A 63 -12.265 -3.376 1.560 1.00 2.36 C ATOM 1006 O VAL A 63 -12.112 -2.268 1.091 1.00 1.56 O ATOM 1007 CB VAL A 63 -10.240 -3.643 3.069 1.00 1.74 C ATOM 1008 CG1 VAL A 63 -8.810 -3.369 2.577 1.00 4.07 C ATOM 1009 CG2 VAL A 63 -10.838 -2.322 3.581 1.00 3.47 C ATOM 0 H VAL A 63 -9.880 -5.650 0.899 1.00 1.24 H new ATOM 0 HA VAL A 63 -11.591 -5.192 2.315 1.00 1.85 H new ATOM 0 HB VAL A 63 -10.221 -4.364 3.886 1.00 1.74 H new ATOM 0 HG11 VAL A 63 -8.228 -2.919 3.381 1.00 4.07 H new ATOM 0 HG12 VAL A 63 -8.344 -4.306 2.273 1.00 4.07 H new ATOM 0 HG13 VAL A 63 -8.842 -2.687 1.727 1.00 4.07 H new ATOM 0 HG21 VAL A 63 -10.197 -1.910 4.361 1.00 3.47 H new ATOM 0 HG22 VAL A 63 -10.909 -1.612 2.757 1.00 3.47 H new ATOM 0 HG23 VAL A 63 -11.832 -2.506 3.988 1.00 3.47 H new ATOM 1019 N ASN A 64 -13.418 -3.915 1.770 1.00 4.72 N ATOM 1020 CA ASN A 64 -14.674 -3.171 1.447 1.00 6.32 C ATOM 1021 C ASN A 64 -15.899 -3.793 2.166 1.00 8.76 C ATOM 1022 O ASN A 64 -16.783 -4.352 1.546 1.00 10.45 O ATOM 1023 CB ASN A 64 -14.867 -3.211 -0.081 1.00 7.51 C ATOM 1024 CG ASN A 64 -13.870 -4.204 -0.685 1.00 7.26 C ATOM 1025 OD1 ASN A 64 -12.851 -3.748 -1.360 1.00 7.22 O flip ATOM 1026 ND2 ASN A 64 -14.008 -5.402 -0.543 1.00 7.66 N flip ATOM 0 H ASN A 64 -13.558 -4.849 2.155 1.00 4.72 H new ATOM 0 HA ASN A 64 -14.590 -2.141 1.795 1.00 6.32 H new ATOM 0 HB2 ASN A 64 -15.887 -3.508 -0.324 1.00 7.51 H new ATOM 0 HB3 ASN A 64 -14.714 -2.219 -0.506 1.00 7.51 H new ATOM 0 HD21 ASN A 64 -14.803 -5.765 -0.016 1.00 7.66 H new ATOM 0 HD22 ASN A 64 -13.329 -6.045 -0.950 1.00 7.66 H new ATOM 1033 N PRO A 65 -15.913 -3.683 3.486 1.00 9.32 N ATOM 1034 CA PRO A 65 -17.012 -4.224 4.315 1.00 11.93 C ATOM 1035 C PRO A 65 -18.273 -3.350 4.227 1.00 13.50 C ATOM 1036 O PRO A 65 -18.846 -2.964 5.226 1.00 14.64 O ATOM 1037 CB PRO A 65 -16.441 -4.195 5.752 1.00 12.53 C ATOM 1038 CG PRO A 65 -15.186 -3.291 5.728 1.00 10.21 C ATOM 1039 CD PRO A 65 -14.823 -3.049 4.256 1.00 7.99 C ATOM 0 HA PRO A 65 -17.316 -5.219 3.990 1.00 11.93 H new ATOM 0 HB2 PRO A 65 -17.181 -3.807 6.452 1.00 12.53 H new ATOM 0 HB3 PRO A 65 -16.184 -5.201 6.084 1.00 12.53 H new ATOM 0 HG2 PRO A 65 -15.384 -2.346 6.235 1.00 10.21 H new ATOM 0 HG3 PRO A 65 -14.359 -3.768 6.254 1.00 10.21 H new ATOM 0 HD2 PRO A 65 -14.752 -1.984 4.037 1.00 7.99 H new ATOM 0 HD3 PRO A 65 -13.857 -3.490 4.010 1.00 7.99 H new ATOM 1047 N GLU A 66 -18.685 -3.062 3.027 1.00 13.71 N ATOM 1048 CA GLU A 66 -19.901 -2.217 2.850 1.00 15.41 C ATOM 1049 C GLU A 66 -21.013 -2.614 3.820 1.00 17.91 C ATOM 1050 O GLU A 66 -21.548 -3.704 3.736 1.00 18.42 O ATOM 1051 CB GLU A 66 -20.425 -2.420 1.425 1.00 15.36 C ATOM 1052 CG GLU A 66 -19.388 -1.912 0.424 1.00 14.51 C ATOM 1053 CD GLU A 66 -20.056 -0.933 -0.543 1.00 14.46 C ATOM 1054 OE1 GLU A 66 -21.062 -1.331 -1.108 1.00 14.67 O ATOM 1055 OE2 GLU A 66 -19.524 0.158 -0.664 1.00 14.46 O ATOM 0 H GLU A 66 -18.238 -3.372 2.164 1.00 13.71 H new ATOM 0 HA GLU A 66 -19.626 -1.180 3.041 1.00 15.41 H new ATOM 0 HB2 GLU A 66 -20.630 -3.476 1.248 1.00 15.36 H new ATOM 0 HB3 GLU A 66 -21.366 -1.886 1.293 1.00 15.36 H new ATOM 0 HG2 GLU A 66 -18.569 -1.420 0.949 1.00 14.51 H new ATOM 0 HG3 GLU A 66 -18.957 -2.748 -0.127 1.00 14.51 H new ATOM 1062 N GLY A 67 -21.348 -1.726 4.718 1.00 19.55 N ATOM 1063 CA GLY A 67 -22.430 -2.059 5.690 1.00 22.15 C ATOM 1064 C GLY A 67 -22.229 -1.354 7.036 1.00 23.92 C ATOM 1065 O GLY A 67 -21.158 -1.382 7.607 1.00 23.82 O ATOM 0 H GLY A 67 -20.929 -0.802 4.821 1.00 19.55 H new ATOM 0 HA2 GLY A 67 -23.395 -1.772 5.271 1.00 22.15 H new ATOM 0 HA3 GLY A 67 -22.458 -3.137 5.846 1.00 22.15 H new ATOM 1069 N ILE A 68 -23.282 -0.738 7.512 1.00 25.74 N ATOM 1070 CA ILE A 68 -23.193 -0.025 8.817 1.00 27.59 C ATOM 1071 C ILE A 68 -23.576 -0.978 9.949 1.00 29.90 C ATOM 1072 O ILE A 68 -23.198 -2.134 9.936 1.00 29.73 O ATOM 1073 CB ILE A 68 -24.176 1.159 8.806 1.00 28.52 C ATOM 1074 CG1 ILE A 68 -24.219 1.846 7.429 1.00 26.66 C ATOM 1075 CG2 ILE A 68 -23.738 2.189 9.864 1.00 29.92 C ATOM 1076 CD1 ILE A 68 -22.815 1.978 6.806 1.00 25.19 C ATOM 0 H ILE A 68 -24.193 -0.699 7.055 1.00 25.74 H new ATOM 0 HA ILE A 68 -22.175 0.332 8.970 1.00 27.59 H new ATOM 0 HB ILE A 68 -25.171 0.775 9.029 1.00 28.52 H new ATOM 0 HG12 ILE A 68 -24.861 1.275 6.759 1.00 26.66 H new ATOM 0 HG13 ILE A 68 -24.665 2.835 7.531 1.00 26.66 H new ATOM 0 HG21 ILE A 68 -24.431 3.031 9.861 1.00 29.92 H new ATOM 0 HG22 ILE A 68 -23.739 1.722 10.849 1.00 29.92 H new ATOM 0 HG23 ILE A 68 -22.734 2.545 9.632 1.00 29.92 H new ATOM 0 HD11 ILE A 68 -22.892 2.468 5.835 1.00 25.19 H new ATOM 0 HD12 ILE A 68 -22.180 2.572 7.463 1.00 25.19 H new ATOM 0 HD13 ILE A 68 -22.379 0.987 6.678 1.00 25.19 H new ATOM 1088 N HIS A 69 -24.312 -0.484 10.904 1.00 32.04 N ATOM 1089 CA HIS A 69 -24.719 -1.361 12.036 1.00 34.44 C ATOM 1090 C HIS A 69 -25.408 -2.626 11.520 1.00 35.98 C ATOM 1091 O HIS A 69 -25.608 -2.785 10.334 1.00 35.69 O ATOM 1092 CB HIS A 69 -25.691 -0.589 12.939 1.00 36.20 C ATOM 1093 CG HIS A 69 -26.262 0.606 12.171 1.00 35.09 C ATOM 1094 ND1 HIS A 69 -26.090 1.822 12.486 1.00 33.92 N ATOM 1095 CD2 HIS A 69 -27.051 0.639 11.036 1.00 35.19 C ATOM 1096 CE1 HIS A 69 -26.696 2.592 11.662 1.00 33.21 C ATOM 1097 NE2 HIS A 69 -27.325 1.914 10.714 1.00 33.95 N ATOM 0 H HIS A 69 -24.646 0.478 10.951 1.00 32.04 H new ATOM 0 HA HIS A 69 -23.830 -1.652 12.595 1.00 34.44 H new ATOM 0 HB2 HIS A 69 -26.498 -1.244 13.266 1.00 36.20 H new ATOM 0 HB3 HIS A 69 -25.176 -0.246 13.836 1.00 36.20 H new ATOM 0 HD2 HIS A 69 -27.395 -0.228 10.491 1.00 35.19 H new ATOM 0 HE1 HIS A 69 -26.694 3.670 11.732 1.00 33.21 H new ATOM 0 HE2 HIS A 69 -27.879 2.270 9.935 1.00 33.95 H new ATOM 1105 N ARG A 70 -25.757 -3.502 12.426 1.00 37.71 N ATOM 1106 CA ARG A 70 -26.432 -4.763 12.012 1.00 39.39 C ATOM 1107 C ARG A 70 -27.768 -4.489 11.318 1.00 41.10 C ATOM 1108 O ARG A 70 -28.129 -3.353 11.084 1.00 40.80 O ATOM 1109 CB ARG A 70 -26.691 -5.604 13.271 1.00 40.98 C ATOM 1110 CG ARG A 70 -25.569 -6.637 13.423 1.00 41.39 C ATOM 1111 CD ARG A 70 -25.772 -7.420 14.726 1.00 41.72 C ATOM 1112 NE ARG A 70 -25.919 -8.870 14.406 1.00 42.83 N ATOM 1113 CZ ARG A 70 -26.543 -9.658 15.242 1.00 43.54 C ATOM 1114 NH1 ARG A 70 -26.550 -9.356 16.512 1.00 44.00 N ATOM 1115 NH2 ARG A 70 -27.145 -10.720 14.779 1.00 43.78 N ATOM 0 H ARG A 70 -25.604 -3.398 13.429 1.00 37.71 H new ATOM 0 HA ARG A 70 -25.787 -5.287 11.306 1.00 39.39 H new ATOM 0 HB2 ARG A 70 -26.732 -4.962 14.151 1.00 40.98 H new ATOM 0 HB3 ARG A 70 -27.656 -6.105 13.197 1.00 40.98 H new ATOM 0 HG2 ARG A 70 -25.569 -7.318 12.572 1.00 41.39 H new ATOM 0 HG3 ARG A 70 -24.600 -6.139 13.432 1.00 41.39 H new ATOM 0 HD2 ARG A 70 -24.924 -7.266 15.393 1.00 41.72 H new ATOM 0 HD3 ARG A 70 -26.658 -7.058 15.248 1.00 41.72 H new ATOM 0 HE ARG A 70 -25.534 -9.245 13.539 1.00 42.83 H new ATOM 0 HH11 ARG A 70 -26.073 -8.516 16.839 1.00 44.00 H new ATOM 0 HH12 ARG A 70 -27.032 -9.960 17.177 1.00 44.00 H new ATOM 0 HH21 ARG A 70 -27.123 -10.924 13.780 1.00 43.78 H new ATOM 0 HH22 ARG A 70 -27.637 -11.346 15.417 1.00 43.78 H new ATOM 1129 N ASP A 71 -28.470 -5.545 10.997 1.00 42.88 N ATOM 1130 CA ASP A 71 -29.783 -5.382 10.318 1.00 44.67 C ATOM 1131 C ASP A 71 -30.657 -4.362 11.045 1.00 45.74 C ATOM 1132 O ASP A 71 -31.042 -3.411 10.386 1.00 45.53 O ATOM 1133 CB ASP A 71 -30.503 -6.738 10.325 1.00 46.86 C ATOM 1134 CG ASP A 71 -30.569 -7.285 8.897 1.00 46.53 C ATOM 1135 OD1 ASP A 71 -29.507 -7.380 8.307 1.00 45.67 O ATOM 1136 OD2 ASP A 71 -31.676 -7.573 8.479 1.00 47.26 O ATOM 1137 OXT ASP A 71 -30.895 -4.593 12.220 1.00 46.76 O ATOM 0 H ASP A 71 -28.189 -6.509 11.176 1.00 42.88 H new ATOM 0 HA ASP A 71 -29.611 -5.029 9.301 1.00 44.67 H new ATOM 0 HB2 ASP A 71 -29.975 -7.439 10.971 1.00 46.86 H new ATOM 0 HB3 ASP A 71 -31.509 -6.626 10.730 1.00 46.86 H new TER 1142 ASP A 71