USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 111:sc= 0.906 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.79 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= 0.311 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.357 K(o=0.67,f=-0.029) USER MOD Set 3.1: A 7 THR OG1 : rot 105:sc= 0.026 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0283 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 179:sc= 0.489 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 0.432 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.168) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.22 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.13) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.956) USER MOD Single : A 14 THR OG1 : rot -90:sc= 0.149 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.89 (180deg=1.54) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 41 GLN : amide:sc= -0.0585 K(o=-0.058,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.887 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 0.761 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.345 -7.759 -5.171 1.00 9.67 N ATOM 2 CA MET A 1 11.183 -7.522 -3.723 1.00 10.38 C ATOM 3 C MET A 1 9.741 -7.765 -3.302 1.00 9.62 C ATOM 4 O MET A 1 8.820 -7.548 -4.061 1.00 9.62 O ATOM 5 CB MET A 1 11.692 -6.088 -3.355 1.00 13.77 C ATOM 6 CG MET A 1 11.482 -5.758 -1.866 1.00 16.29 C ATOM 7 SD MET A 1 12.048 -4.116 -1.347 1.00 17.17 S ATOM 8 CE MET A 1 10.761 -3.127 -2.173 1.00 16.11 C ATOM 0 H1 MET A 1 12.349 -7.672 -5.427 1.00 9.67 H new ATOM 0 H2 MET A 1 11.010 -8.715 -5.406 1.00 9.67 H new ATOM 0 H3 MET A 1 10.790 -7.057 -5.702 1.00 9.67 H new ATOM 0 HA MET A 1 11.794 -8.231 -3.164 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.752 -6.008 -3.597 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.169 -5.352 -3.965 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.420 -5.847 -1.638 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.000 -6.508 -1.268 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.812 -2.097 -1.821 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.920 -3.150 -3.251 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.780 -3.541 -1.942 1.00 16.11 H new ATOM 20 N GLN A 2 9.537 -8.390 -2.133 1.00 9.27 N ATOM 21 CA GLN A 2 8.198 -8.629 -1.608 1.00 9.07 C ATOM 22 C GLN A 2 7.965 -7.566 -0.521 1.00 8.72 C ATOM 23 O GLN A 2 8.796 -7.214 0.288 1.00 8.22 O ATOM 24 CB GLN A 2 7.968 -10.021 -1.004 1.00 14.46 C ATOM 25 CG GLN A 2 7.986 -11.173 -2.033 1.00 17.01 C ATOM 26 CD GLN A 2 7.524 -12.542 -1.512 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.581 -13.148 -1.982 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.337 -13.042 -0.524 1.00 19.49 N ATOM 0 H GLN A 2 10.289 -8.737 -1.537 1.00 9.27 H new ATOM 0 HA GLN A 2 7.501 -8.570 -2.444 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.735 -10.209 -0.253 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.008 -10.026 -0.488 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.353 -10.893 -2.875 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.001 -11.275 -2.418 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.114 -12.483 -0.171 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.164 -13.972 -0.143 1.00 19.49 H new ATOM 37 N ILE A 3 6.767 -6.981 -0.515 1.00 5.87 N ATOM 38 CA ILE A 3 6.226 -6.307 0.613 1.00 5.07 C ATOM 39 C ILE A 3 4.906 -6.914 1.127 1.00 4.01 C ATOM 40 O ILE A 3 4.075 -7.358 0.343 1.00 4.61 O ATOM 41 CB ILE A 3 6.046 -4.789 0.300 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.084 -4.402 -0.875 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.494 -4.183 0.152 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.954 -2.937 -1.166 1.00 10.83 C ATOM 0 H ILE A 3 6.149 -6.976 -1.326 1.00 5.87 H new ATOM 0 HA ILE A 3 6.948 -6.435 1.420 1.00 5.07 H new ATOM 0 HB ILE A 3 5.501 -4.346 1.134 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.429 -4.902 -1.780 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.093 -4.797 -0.651 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.422 -3.118 -0.068 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.044 -4.325 1.082 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.018 -4.687 -0.660 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.264 -2.791 -1.997 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.573 -2.423 -0.283 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.930 -2.530 -1.430 1.00 10.83 H new ATOM 56 N PHE A 4 4.686 -6.996 2.452 1.00 4.55 N ATOM 57 CA PHE A 4 3.510 -7.577 3.125 1.00 4.68 C ATOM 58 C PHE A 4 2.436 -6.489 3.277 1.00 5.30 C ATOM 59 O PHE A 4 2.724 -5.335 3.529 1.00 5.58 O ATOM 60 CB PHE A 4 3.872 -8.226 4.541 1.00 4.83 C ATOM 61 CG PHE A 4 4.851 -9.422 4.491 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.625 -10.450 3.599 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.961 -9.469 5.332 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.507 -11.514 3.510 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.816 -10.558 5.277 1.00 10.61 C ATOM 66 CZ PHE A 4 6.636 -11.639 4.384 1.00 8.90 C ATOM 0 H PHE A 4 5.366 -6.637 3.122 1.00 4.55 H new ATOM 0 HA PHE A 4 3.130 -8.391 2.508 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.302 -7.452 5.177 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.948 -8.554 5.018 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.752 -10.425 2.964 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.154 -8.661 6.023 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.339 -12.272 2.760 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.661 -10.582 5.949 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.298 -12.492 4.362 1.00 8.90 H new ATOM 76 N VAL A 5 1.187 -6.822 3.182 1.00 4.44 N ATOM 77 CA VAL A 5 0.080 -5.948 3.333 1.00 3.87 C ATOM 78 C VAL A 5 -0.718 -6.659 4.446 1.00 4.93 C ATOM 79 O VAL A 5 -0.812 -7.889 4.375 1.00 6.84 O ATOM 80 CB VAL A 5 -0.880 -5.707 2.128 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.676 -4.388 2.377 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.060 -5.578 0.787 1.00 9.13 C ATOM 0 H VAL A 5 0.901 -7.781 2.983 1.00 4.44 H new ATOM 0 HA VAL A 5 0.464 -4.943 3.505 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.564 -6.551 2.038 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.352 -4.207 1.541 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.253 -4.480 3.297 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.980 -3.554 2.467 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.745 -5.410 -0.044 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.631 -4.739 0.863 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.502 -6.496 0.614 1.00 9.13 H new ATOM 92 N LYS A 6 -1.332 -5.949 5.417 1.00 6.04 N ATOM 93 CA LYS A 6 -2.200 -6.496 6.429 1.00 6.12 C ATOM 94 C LYS A 6 -3.536 -5.796 6.359 1.00 6.57 C ATOM 95 O LYS A 6 -3.629 -4.579 6.353 1.00 5.76 O ATOM 96 CB LYS A 6 -1.587 -6.275 7.843 1.00 7.45 C ATOM 97 CG LYS A 6 -0.464 -7.260 8.171 1.00 11.12 C ATOM 98 CD LYS A 6 -0.930 -8.627 8.704 1.00 14.54 C ATOM 99 CE LYS A 6 0.198 -9.552 9.016 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.347 -10.876 9.409 1.00 20.55 N ATOM 0 H LYS A 6 -1.218 -4.939 5.502 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.321 -7.565 6.256 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.201 -5.258 7.910 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.374 -6.368 8.592 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.131 -7.421 7.272 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.194 -6.804 8.911 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.526 -8.475 9.604 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.581 -9.095 7.966 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.848 -9.657 8.147 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.807 -9.143 9.822 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.437 -11.528 9.611 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.937 -10.770 10.259 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.924 -11.258 8.633 1.00 20.55 H new ATOM 114 N THR A 7 -4.649 -6.555 6.414 1.00 7.41 N ATOM 115 CA THR A 7 -5.989 -6.048 6.230 1.00 7.48 C ATOM 116 C THR A 7 -6.741 -6.482 7.448 1.00 8.75 C ATOM 117 O THR A 7 -6.460 -7.482 8.117 1.00 8.58 O ATOM 118 CB THR A 7 -6.630 -6.453 4.942 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.187 -7.737 4.951 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.672 -6.286 3.744 1.00 9.17 C ATOM 0 H THR A 7 -4.621 -7.559 6.593 1.00 7.41 H new ATOM 0 HA THR A 7 -5.984 -4.962 6.135 1.00 7.48 H new ATOM 0 HB THR A 7 -7.466 -5.763 4.824 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.163 -7.670 5.013 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.178 -6.592 2.828 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.371 -5.242 3.661 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.789 -6.907 3.895 1.00 9.17 H new ATOM 128 N LEU A 8 -7.764 -5.657 7.798 1.00 9.84 N ATOM 129 CA LEU A 8 -8.678 -5.828 8.926 1.00 14.15 C ATOM 130 C LEU A 8 -9.689 -6.974 8.857 1.00 17.37 C ATOM 131 O LEU A 8 -10.344 -7.395 9.848 1.00 17.01 O ATOM 132 CB LEU A 8 -9.486 -4.552 9.322 1.00 16.63 C ATOM 133 CG LEU A 8 -8.616 -3.276 9.524 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.494 -2.043 9.512 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.745 -3.327 10.736 1.00 18.59 C ATOM 0 H LEU A 8 -7.972 -4.814 7.263 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.934 -6.077 9.683 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.228 -4.352 8.549 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.032 -4.754 10.243 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.924 -3.228 8.684 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.877 -1.156 9.654 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.013 -1.975 8.556 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.225 -2.109 10.318 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.170 -2.404 10.810 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.365 -3.440 11.625 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.064 -4.174 10.659 1.00 18.59 H new ATOM 147 N THR A 9 -9.789 -7.646 7.612 1.00 18.33 N ATOM 148 CA THR A 9 -10.863 -8.622 7.439 1.00 19.24 C ATOM 149 C THR A 9 -10.388 -10.041 7.733 1.00 19.48 C ATOM 150 O THR A 9 -11.088 -11.005 7.464 1.00 23.14 O ATOM 151 CB THR A 9 -11.293 -8.580 5.968 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.190 -8.777 5.072 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.953 -7.257 5.564 1.00 19.70 C ATOM 0 H THR A 9 -9.172 -7.511 6.811 1.00 18.33 H new ATOM 0 HA THR A 9 -11.673 -8.373 8.125 1.00 19.24 H new ATOM 0 HB THR A 9 -12.014 -9.394 5.885 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.510 -8.744 4.146 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.232 -7.296 4.511 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.844 -7.095 6.170 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.252 -6.437 5.723 1.00 19.70 H new ATOM 161 N GLY A 10 -9.201 -10.196 8.372 1.00 19.43 N ATOM 162 CA GLY A 10 -8.522 -11.483 8.464 1.00 18.74 C ATOM 163 C GLY A 10 -7.975 -11.884 7.097 1.00 17.62 C ATOM 164 O GLY A 10 -8.434 -12.858 6.516 1.00 19.74 O ATOM 0 H GLY A 10 -8.704 -9.431 8.829 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.708 -11.423 9.187 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.214 -12.244 8.825 1.00 18.74 H new ATOM 168 N LYS A 11 -6.992 -11.066 6.535 1.00 13.56 N ATOM 169 CA LYS A 11 -6.230 -11.347 5.389 1.00 11.91 C ATOM 170 C LYS A 11 -4.899 -10.644 5.419 1.00 10.18 C ATOM 171 O LYS A 11 -4.731 -9.598 6.083 1.00 9.10 O ATOM 172 CB LYS A 11 -6.953 -11.139 4.051 1.00 13.43 C ATOM 173 CG LYS A 11 -6.395 -11.959 2.844 1.00 16.69 C ATOM 174 CD LYS A 11 -7.280 -11.839 1.619 1.00 17.92 C ATOM 175 CE LYS A 11 -6.832 -12.776 0.480 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.470 -12.362 -0.808 1.00 21.93 N ATOM 0 H LYS A 11 -6.752 -10.163 6.944 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.057 -12.422 5.437 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.005 -11.393 4.184 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.911 -10.080 3.797 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.391 -11.610 2.602 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.308 -13.008 3.127 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.309 -12.070 1.893 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.268 -10.808 1.265 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.747 -12.749 0.382 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.105 -13.804 0.716 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.495 -13.172 -1.459 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.440 -12.035 -0.625 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.919 -11.591 -1.236 1.00 21.93 H new ATOM 190 N THR A 12 -3.837 -11.182 4.760 1.00 9.63 N ATOM 191 CA THR A 12 -2.473 -10.654 4.632 1.00 9.85 C ATOM 192 C THR A 12 -2.218 -10.857 3.215 1.00 11.66 C ATOM 193 O THR A 12 -2.697 -11.868 2.653 1.00 12.33 O ATOM 194 CB THR A 12 -1.452 -11.435 5.431 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.804 -11.342 6.823 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.019 -10.819 5.397 1.00 9.63 C ATOM 0 H THR A 12 -3.933 -12.070 4.268 1.00 9.63 H new ATOM 0 HA THR A 12 -2.393 -9.629 4.995 1.00 9.85 H new ATOM 0 HB THR A 12 -1.451 -12.437 5.002 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.814 -12.239 7.219 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.656 -11.434 5.992 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.337 -10.782 4.367 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.047 -9.810 5.808 1.00 9.63 H new ATOM 204 N ILE A 13 -1.557 -9.897 2.515 1.00 10.42 N ATOM 205 CA ILE A 13 -1.209 -10.009 1.131 1.00 11.84 C ATOM 206 C ILE A 13 0.307 -9.930 0.993 1.00 10.55 C ATOM 207 O ILE A 13 0.885 -9.262 1.818 1.00 11.92 O ATOM 208 CB ILE A 13 -1.877 -8.815 0.364 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.374 -8.592 0.861 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.731 -9.089 -1.135 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.983 -7.402 0.155 1.00 16.46 C ATOM 0 H ILE A 13 -1.259 -9.017 2.935 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.555 -10.957 0.719 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.381 -7.867 0.575 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.968 -9.485 0.664 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.388 -8.431 1.939 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.186 -8.275 -1.700 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.674 -9.161 -1.390 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.229 -10.026 -1.384 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.006 -7.258 0.502 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.397 -6.510 0.374 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.986 -7.579 -0.920 1.00 16.46 H new ATOM 223 N THR A 14 0.978 -10.502 -0.039 1.00 9.39 N ATOM 224 CA THR A 14 2.434 -10.296 -0.210 1.00 9.63 C ATOM 225 C THR A 14 2.650 -9.860 -1.651 1.00 11.20 C ATOM 226 O THR A 14 2.225 -10.614 -2.549 1.00 11.63 O ATOM 227 CB THR A 14 3.195 -11.630 -0.059 1.00 10.38 C ATOM 228 OG1 THR A 14 2.883 -12.224 1.152 1.00 16.30 O ATOM 229 CG2 THR A 14 4.710 -11.281 0.008 1.00 11.66 C ATOM 0 H THR A 14 0.545 -11.095 -0.747 1.00 9.39 H new ATOM 0 HA THR A 14 2.784 -9.575 0.528 1.00 9.63 H new ATOM 0 HB THR A 14 2.938 -12.294 -0.884 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.515 -11.921 1.837 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.290 -12.198 0.115 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.006 -10.769 -0.908 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.896 -10.631 0.863 1.00 11.66 H new ATOM 237 N LEU A 15 3.190 -8.679 -1.933 1.00 8.29 N ATOM 238 CA LEU A 15 3.036 -7.981 -3.213 1.00 9.03 C ATOM 239 C LEU A 15 4.398 -7.909 -3.797 1.00 8.59 C ATOM 240 O LEU A 15 5.296 -7.265 -3.248 1.00 7.79 O ATOM 241 CB LEU A 15 2.600 -6.537 -3.162 1.00 11.08 C ATOM 242 CG LEU A 15 1.261 -6.323 -2.431 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.038 -4.848 -2.351 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.099 -6.998 -3.189 1.00 15.27 C ATOM 0 H LEU A 15 3.762 -8.164 -1.264 1.00 8.29 H new ATOM 0 HA LEU A 15 2.267 -8.535 -3.751 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.373 -5.950 -2.666 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.514 -6.156 -4.180 1.00 11.08 H new ATOM 0 HG LEU A 15 1.297 -6.770 -1.438 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.097 -4.650 -1.839 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.856 -4.386 -1.799 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.998 -4.431 -3.357 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.833 -6.830 -2.650 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.021 -6.572 -4.189 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.287 -8.069 -3.264 1.00 15.27 H new ATOM 256 N GLU A 16 4.551 -8.551 -4.968 1.00 11.04 N ATOM 257 CA GLU A 16 5.778 -8.540 -5.754 1.00 11.50 C ATOM 258 C GLU A 16 5.952 -7.212 -6.391 1.00 10.13 C ATOM 259 O GLU A 16 5.202 -6.720 -7.262 1.00 9.83 O ATOM 260 CB GLU A 16 5.836 -9.656 -6.855 1.00 17.22 C ATOM 261 CG GLU A 16 7.173 -9.805 -7.659 1.00 23.33 C ATOM 262 CD GLU A 16 7.243 -11.072 -8.465 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.510 -12.156 -7.910 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.125 -10.970 -9.701 1.00 28.86 O ATOM 0 H GLU A 16 3.805 -9.100 -5.395 1.00 11.04 H new ATOM 0 HA GLU A 16 6.589 -8.748 -5.056 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.621 -10.612 -6.378 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.033 -9.468 -7.568 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.285 -8.951 -8.327 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.012 -9.778 -6.964 1.00 23.33 H new ATOM 271 N VAL A 17 6.994 -6.498 -5.905 1.00 8.99 N ATOM 272 CA VAL A 17 7.268 -5.102 -6.189 1.00 8.85 C ATOM 273 C VAL A 17 8.780 -4.908 -6.497 1.00 8.04 C ATOM 274 O VAL A 17 9.722 -5.733 -6.252 1.00 8.99 O ATOM 275 CB VAL A 17 6.800 -4.047 -5.119 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.268 -4.096 -5.040 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.336 -4.446 -3.707 1.00 10.54 C ATOM 0 H VAL A 17 7.686 -6.912 -5.280 1.00 8.99 H new ATOM 0 HA VAL A 17 6.645 -4.888 -7.057 1.00 8.85 H new ATOM 0 HB VAL A 17 7.168 -3.061 -5.403 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.918 -3.372 -4.304 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.845 -3.854 -6.015 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.951 -5.096 -4.745 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.008 -3.711 -2.972 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.949 -5.428 -3.435 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.425 -4.478 -3.727 1.00 10.54 H new ATOM 287 N GLU A 18 9.108 -3.662 -6.936 1.00 7.29 N ATOM 288 CA GLU A 18 10.502 -3.176 -7.021 1.00 7.08 C ATOM 289 C GLU A 18 10.457 -2.005 -6.069 1.00 6.45 C ATOM 290 O GLU A 18 9.475 -1.253 -5.935 1.00 5.28 O ATOM 291 CB GLU A 18 10.949 -2.730 -8.398 1.00 10.28 C ATOM 292 CG GLU A 18 11.099 -3.850 -9.398 1.00 12.65 C ATOM 293 CD GLU A 18 12.099 -4.902 -9.110 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.285 -4.529 -8.823 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.711 -6.089 -9.141 1.00 14.33 O ATOM 0 H GLU A 18 8.416 -2.976 -7.237 1.00 7.29 H new ATOM 0 HA GLU A 18 11.220 -3.962 -6.787 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.229 -2.008 -8.784 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.903 -2.211 -8.306 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.128 -4.332 -9.509 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.347 -3.407 -10.363 1.00 12.65 H new ATOM 302 N PRO A 19 11.586 -1.635 -5.518 1.00 7.24 N ATOM 303 CA PRO A 19 11.673 -0.361 -4.729 1.00 7.07 C ATOM 304 C PRO A 19 11.365 0.937 -5.536 1.00 6.65 C ATOM 305 O PRO A 19 11.162 1.950 -4.851 1.00 6.37 O ATOM 306 CB PRO A 19 13.164 -0.277 -4.327 1.00 7.61 C ATOM 307 CG PRO A 19 13.930 -1.288 -5.116 1.00 8.16 C ATOM 308 CD PRO A 19 12.838 -2.324 -5.583 1.00 7.49 C ATOM 0 HA PRO A 19 10.942 -0.400 -3.921 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.551 0.724 -4.518 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.279 -0.465 -3.259 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.434 -0.830 -5.967 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.699 -1.766 -4.510 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.039 -2.673 -6.596 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.833 -3.203 -4.938 1.00 7.49 H new ATOM 316 N SER A 20 11.328 0.909 -6.890 1.00 6.80 N ATOM 317 CA SER A 20 11.104 2.084 -7.687 1.00 6.28 C ATOM 318 C SER A 20 9.576 2.277 -7.895 1.00 8.45 C ATOM 319 O SER A 20 9.098 3.229 -8.526 1.00 7.26 O ATOM 320 CB SER A 20 11.751 1.890 -9.105 1.00 8.57 C ATOM 321 OG SER A 20 11.531 0.613 -9.670 1.00 11.13 O ATOM 0 H SER A 20 11.456 0.058 -7.437 1.00 6.80 H new ATOM 0 HA SER A 20 11.541 2.944 -7.179 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.354 2.648 -9.780 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.825 2.062 -9.029 1.00 8.57 H new ATOM 0 HG SER A 20 11.960 0.566 -10.550 1.00 11.13 H new ATOM 327 N ASP A 21 8.797 1.329 -7.467 1.00 7.50 N ATOM 328 CA ASP A 21 7.320 1.439 -7.705 1.00 7.70 C ATOM 329 C ASP A 21 6.725 2.469 -6.680 1.00 7.08 C ATOM 330 O ASP A 21 7.063 2.486 -5.497 1.00 8.11 O ATOM 331 CB ASP A 21 6.534 0.109 -7.656 1.00 11.00 C ATOM 332 CG ASP A 21 6.861 -0.712 -8.797 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.826 -0.177 -9.949 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.189 -1.940 -8.637 1.00 14.36 O ATOM 0 H ASP A 21 9.104 0.493 -6.970 1.00 7.50 H new ATOM 0 HA ASP A 21 7.201 1.778 -8.734 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.769 -0.426 -6.736 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.463 0.313 -7.641 1.00 11.00 H new ATOM 339 N THR A 22 5.876 3.363 -7.194 1.00 5.37 N ATOM 340 CA THR A 22 5.209 4.391 -6.416 1.00 6.01 C ATOM 341 C THR A 22 4.098 3.852 -5.608 1.00 8.01 C ATOM 342 O THR A 22 3.600 2.745 -5.820 1.00 8.11 O ATOM 343 CB THR A 22 4.695 5.538 -7.236 1.00 8.92 C ATOM 344 OG1 THR A 22 3.756 5.003 -8.211 1.00 10.22 O ATOM 345 CG2 THR A 22 5.840 6.250 -7.943 1.00 9.65 C ATOM 0 H THR A 22 5.633 3.386 -8.184 1.00 5.37 H new ATOM 0 HA THR A 22 5.991 4.771 -5.758 1.00 6.01 H new ATOM 0 HB THR A 22 4.202 6.266 -6.592 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.525 5.700 -8.860 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.445 7.078 -8.532 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.542 6.633 -7.203 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.353 5.549 -8.601 1.00 9.65 H new ATOM 353 N ILE A 23 3.633 4.482 -4.571 1.00 8.32 N ATOM 354 CA ILE A 23 2.469 3.980 -3.914 1.00 9.92 C ATOM 355 C ILE A 23 1.161 3.936 -4.784 1.00 10.01 C ATOM 356 O ILE A 23 0.377 2.992 -4.577 1.00 8.71 O ATOM 357 CB ILE A 23 2.240 4.818 -2.662 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.463 4.735 -1.712 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.001 4.522 -1.894 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.914 3.262 -1.396 1.00 12.30 C ATOM 0 H ILE A 23 4.034 5.329 -4.169 1.00 8.32 H new ATOM 0 HA ILE A 23 2.669 2.934 -3.684 1.00 9.92 H new ATOM 0 HB ILE A 23 2.107 5.828 -3.049 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.298 5.274 -2.160 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.222 5.241 -0.777 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.945 5.179 -1.026 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.131 4.686 -2.530 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.018 3.484 -1.563 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.774 3.280 -0.726 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.094 2.725 -0.919 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.187 2.758 -2.323 1.00 12.30 H new ATOM 372 N GLU A 24 0.964 4.874 -5.720 1.00 9.54 N ATOM 373 CA GLU A 24 0.096 4.583 -6.862 1.00 11.81 C ATOM 374 C GLU A 24 0.197 3.235 -7.516 1.00 11.14 C ATOM 375 O GLU A 24 -0.842 2.599 -7.794 1.00 10.62 O ATOM 376 CB GLU A 24 0.320 5.649 -7.934 1.00 19.24 C ATOM 377 CG GLU A 24 -0.751 5.644 -9.079 1.00 27.76 C ATOM 378 CD GLU A 24 -0.512 6.696 -10.186 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.317 6.510 -11.068 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.245 7.708 -10.113 1.00 34.80 O ATOM 0 H GLU A 24 1.378 5.806 -5.711 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.901 4.585 -6.421 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.324 6.630 -7.459 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.307 5.504 -8.374 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.772 4.654 -9.535 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.734 5.814 -8.640 1.00 27.76 H new ATOM 387 N ASN A 25 1.427 2.724 -7.752 1.00 9.43 N ATOM 388 CA ASN A 25 1.644 1.394 -8.234 1.00 10.96 C ATOM 389 C ASN A 25 1.334 0.338 -7.176 1.00 9.68 C ATOM 390 O ASN A 25 0.787 -0.701 -7.478 1.00 9.33 O ATOM 391 CB ASN A 25 2.998 1.254 -8.952 1.00 16.78 C ATOM 392 CG ASN A 25 2.821 1.755 -10.333 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.597 0.999 -11.306 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.091 3.079 -10.534 1.00 24.70 N ATOM 0 H ASN A 25 2.288 3.251 -7.603 1.00 9.43 H new ATOM 0 HA ASN A 25 0.914 1.190 -9.017 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.768 1.824 -8.433 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.322 0.213 -8.960 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.111 3.457 -11.481 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.273 3.689 -9.737 1.00 24.70 H new ATOM 401 N VAL A 26 1.575 0.547 -5.849 1.00 6.52 N ATOM 402 CA VAL A 26 1.464 -0.461 -4.866 1.00 5.53 C ATOM 403 C VAL A 26 -0.021 -0.813 -4.674 1.00 4.42 C ATOM 404 O VAL A 26 -0.413 -2.010 -4.727 1.00 3.40 O ATOM 405 CB VAL A 26 2.169 -0.180 -3.602 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.813 -1.311 -2.609 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.660 -0.079 -3.831 1.00 8.12 C ATOM 0 H VAL A 26 1.854 1.453 -5.472 1.00 6.52 H new ATOM 0 HA VAL A 26 1.994 -1.338 -5.237 1.00 5.53 H new ATOM 0 HB VAL A 26 1.857 0.780 -3.190 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.319 -1.135 -1.660 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.735 -1.328 -2.448 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.134 -2.269 -3.018 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.160 0.129 -2.885 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.030 -1.020 -4.238 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.866 0.727 -4.535 1.00 8.12 H new ATOM 417 N LYS A 27 -0.977 0.171 -4.713 1.00 2.64 N ATOM 418 CA LYS A 27 -2.386 -0.087 -4.503 1.00 4.14 C ATOM 419 C LYS A 27 -3.041 -0.731 -5.751 1.00 5.58 C ATOM 420 O LYS A 27 -4.047 -1.423 -5.802 1.00 4.11 O ATOM 421 CB LYS A 27 -3.150 1.221 -4.210 1.00 3.97 C ATOM 422 CG LYS A 27 -2.601 2.005 -3.002 1.00 7.45 C ATOM 423 CD LYS A 27 -3.271 3.340 -2.826 1.00 9.02 C ATOM 424 CE LYS A 27 -2.806 4.397 -3.817 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.728 5.524 -3.858 1.00 15.47 N ATOM 0 H LYS A 27 -0.762 1.152 -4.892 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.448 -0.768 -3.654 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.112 1.859 -5.093 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.199 0.986 -4.032 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.736 1.413 -2.097 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.529 2.155 -3.128 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.349 3.211 -2.926 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.085 3.698 -1.813 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.812 4.747 -3.539 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.722 3.956 -4.810 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.291 6.311 -4.379 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.606 5.237 -4.336 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.946 5.830 -2.888 1.00 15.47 H new ATOM 439 N ALA A 28 -2.324 -0.466 -6.897 1.00 6.61 N ATOM 440 CA ALA A 28 -2.587 -1.135 -8.126 1.00 7.74 C ATOM 441 C ALA A 28 -2.319 -2.635 -8.060 1.00 9.17 C ATOM 442 O ALA A 28 -3.128 -3.457 -8.419 1.00 11.45 O ATOM 443 CB ALA A 28 -1.733 -0.649 -9.305 1.00 7.68 C ATOM 0 H ALA A 28 -1.567 0.216 -6.946 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.641 -0.909 -8.285 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.997 -1.210 -10.201 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.917 0.412 -9.474 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.678 -0.803 -9.078 1.00 7.68 H new ATOM 449 N LYS A 29 -1.190 -3.013 -7.351 1.00 8.96 N ATOM 450 CA LYS A 29 -0.944 -4.470 -7.047 1.00 7.90 C ATOM 451 C LYS A 29 -2.095 -5.143 -6.229 1.00 6.92 C ATOM 452 O LYS A 29 -2.595 -6.285 -6.508 1.00 6.87 O ATOM 453 CB LYS A 29 0.398 -4.776 -6.396 1.00 10.28 C ATOM 454 CG LYS A 29 1.575 -4.023 -6.928 1.00 14.94 C ATOM 455 CD LYS A 29 1.967 -4.160 -8.414 1.00 19.69 C ATOM 456 CE LYS A 29 3.134 -3.379 -8.958 1.00 22.63 C ATOM 457 NZ LYS A 29 3.259 -3.488 -10.398 1.00 24.98 N ATOM 0 H LYS A 29 -0.480 -2.370 -7.001 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.921 -4.915 -8.042 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.315 -4.573 -5.328 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.596 -5.842 -6.504 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.398 -2.965 -6.735 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.442 -4.314 -6.335 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.167 -5.215 -8.601 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.092 -3.892 -9.006 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.022 -2.330 -8.686 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.053 -3.733 -8.490 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.077 -2.932 -10.719 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.394 -4.485 -10.660 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.395 -3.125 -10.850 1.00 24.98 H new ATOM 471 N ILE A 30 -2.585 -4.421 -5.209 1.00 4.57 N ATOM 472 CA ILE A 30 -3.810 -4.704 -4.436 1.00 5.58 C ATOM 473 C ILE A 30 -5.122 -4.740 -5.210 1.00 7.26 C ATOM 474 O ILE A 30 -5.875 -5.658 -4.953 1.00 9.46 O ATOM 475 CB ILE A 30 -3.908 -3.811 -3.172 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.583 -3.915 -2.324 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.050 -4.149 -2.239 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.575 -3.066 -1.073 1.00 2.00 C ATOM 0 H ILE A 30 -2.113 -3.578 -4.882 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.678 -5.743 -4.134 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.080 -2.809 -3.565 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.427 -4.956 -2.043 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.740 -3.624 -2.951 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.036 -3.471 -1.386 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.996 -4.044 -2.770 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.942 -5.175 -1.889 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.628 -3.197 -0.550 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.698 -2.017 -1.344 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.394 -3.370 -0.421 1.00 2.00 H new ATOM 490 N GLN A 31 -5.389 -3.829 -6.164 1.00 7.06 N ATOM 491 CA GLN A 31 -6.499 -3.957 -7.074 1.00 8.67 C ATOM 492 C GLN A 31 -6.550 -5.255 -7.913 1.00 10.90 C ATOM 493 O GLN A 31 -7.575 -5.947 -8.076 1.00 9.63 O ATOM 494 CB GLN A 31 -6.568 -2.768 -8.071 1.00 9.12 C ATOM 495 CG GLN A 31 -7.812 -2.737 -9.068 1.00 10.76 C ATOM 496 CD GLN A 31 -7.776 -1.611 -10.128 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.735 -0.801 -10.297 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.625 -1.415 -10.752 1.00 14.76 N ATOM 0 H GLN A 31 -4.829 -2.989 -6.310 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.351 -3.975 -6.394 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.570 -1.842 -7.496 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.655 -2.771 -8.667 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.870 -3.697 -9.582 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.725 -2.634 -8.482 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.853 -2.068 -10.615 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.510 -0.611 -11.369 1.00 14.76 H new ATOM 507 N ASP A 32 -5.351 -5.653 -8.375 1.00 10.93 N ATOM 508 CA ASP A 32 -5.250 -6.976 -9.022 1.00 14.01 C ATOM 509 C ASP A 32 -5.469 -8.168 -8.053 1.00 14.04 C ATOM 510 O ASP A 32 -6.184 -9.071 -8.391 1.00 13.39 O ATOM 511 CB ASP A 32 -3.899 -7.100 -9.739 1.00 18.01 C ATOM 512 CG ASP A 32 -3.677 -8.388 -10.521 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.376 -8.690 -11.498 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.706 -9.095 -10.122 1.00 25.17 O ATOM 0 H ASP A 32 -4.485 -5.116 -8.320 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.064 -7.033 -9.745 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.795 -6.259 -10.424 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.106 -7.007 -8.997 1.00 18.01 H new ATOM 519 N LYS A 33 -4.915 -8.198 -6.814 1.00 14.22 N ATOM 520 CA LYS A 33 -5.196 -9.219 -5.801 1.00 14.00 C ATOM 521 C LYS A 33 -6.671 -9.321 -5.320 1.00 12.37 C ATOM 522 O LYS A 33 -7.217 -10.399 -5.190 1.00 12.17 O ATOM 523 CB LYS A 33 -4.358 -8.973 -4.556 1.00 18.62 C ATOM 524 CG LYS A 33 -2.858 -9.315 -4.701 1.00 24.00 C ATOM 525 CD LYS A 33 -2.535 -10.809 -4.645 1.00 27.61 C ATOM 526 CE LYS A 33 -0.991 -11.101 -4.620 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.901 -12.530 -4.711 1.00 30.06 N ATOM 0 H LYS A 33 -4.249 -7.494 -6.496 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.954 -10.150 -6.314 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.451 -7.924 -4.275 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.772 -9.560 -3.736 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.498 -8.915 -5.649 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.305 -8.808 -3.910 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.996 -11.242 -3.757 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.979 -11.304 -5.508 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.481 -10.616 -5.452 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.530 -10.731 -3.704 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.099 -12.816 -4.701 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.392 -12.961 -3.902 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.344 -12.850 -5.596 1.00 30.06 H new ATOM 541 N GLU A 34 -7.250 -8.165 -4.891 1.00 10.11 N ATOM 542 CA GLU A 34 -8.479 -8.104 -4.114 1.00 10.07 C ATOM 543 C GLU A 34 -9.655 -7.549 -4.834 1.00 9.32 C ATOM 544 O GLU A 34 -10.798 -7.589 -4.369 1.00 11.61 O ATOM 545 CB GLU A 34 -8.219 -7.191 -2.872 1.00 14.77 C ATOM 546 CG GLU A 34 -7.032 -7.716 -1.986 1.00 18.75 C ATOM 547 CD GLU A 34 -7.411 -8.995 -1.304 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.565 -9.176 -0.853 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.543 -9.956 -1.360 1.00 25.19 O ATOM 0 H GLU A 34 -6.854 -7.246 -5.089 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.726 -9.135 -3.862 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.999 -6.178 -3.208 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.124 -7.136 -2.268 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.150 -7.876 -2.607 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.766 -6.965 -1.242 1.00 18.75 H new ATOM 556 N GLY A 35 -9.434 -6.971 -6.046 1.00 7.22 N ATOM 557 CA GLY A 35 -10.411 -6.213 -6.797 1.00 6.29 C ATOM 558 C GLY A 35 -10.835 -4.841 -6.346 1.00 6.93 C ATOM 559 O GLY A 35 -11.856 -4.319 -6.720 1.00 7.41 O ATOM 0 H GLY A 35 -8.534 -7.036 -6.522 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.026 -6.112 -7.812 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.312 -6.823 -6.857 1.00 6.29 H new ATOM 563 N ILE A 36 -10.122 -4.218 -5.354 1.00 5.86 N ATOM 564 CA ILE A 36 -10.480 -2.936 -4.783 1.00 6.07 C ATOM 565 C ILE A 36 -9.807 -1.858 -5.729 1.00 6.36 C ATOM 566 O ILE A 36 -8.569 -1.885 -5.852 1.00 6.18 O ATOM 567 CB ILE A 36 -10.041 -2.638 -3.275 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.555 -3.847 -2.445 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.604 -1.323 -2.849 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.388 -3.623 -0.997 1.00 9.49 C ATOM 0 H ILE A 36 -9.279 -4.621 -4.945 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.568 -2.915 -4.728 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.963 -2.547 -3.139 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.608 -4.020 -2.668 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.015 -4.747 -2.739 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.307 -1.116 -1.821 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.225 -0.536 -3.502 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.692 -1.355 -2.913 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.759 -4.490 -0.450 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.332 -3.476 -0.771 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.950 -2.738 -0.699 1.00 9.49 H new ATOM 582 N PRO A 37 -10.490 -0.831 -6.263 1.00 8.65 N ATOM 583 CA PRO A 37 -9.887 0.293 -7.017 1.00 9.18 C ATOM 584 C PRO A 37 -8.861 1.085 -6.210 1.00 9.85 C ATOM 585 O PRO A 37 -9.034 1.210 -5.006 1.00 8.51 O ATOM 586 CB PRO A 37 -11.044 1.105 -7.503 1.00 11.42 C ATOM 587 CG PRO A 37 -12.168 0.076 -7.539 1.00 9.27 C ATOM 588 CD PRO A 37 -11.938 -0.835 -6.356 1.00 8.33 C ATOM 0 HA PRO A 37 -9.288 -0.064 -7.855 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.271 1.933 -6.831 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.855 1.536 -8.486 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.142 0.560 -7.475 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.153 -0.486 -8.473 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.408 -0.455 -5.449 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.335 -1.836 -6.526 1.00 8.33 H new ATOM 596 N PRO A 38 -7.795 1.720 -6.793 1.00 8.71 N ATOM 597 CA PRO A 38 -6.690 2.173 -6.013 1.00 9.08 C ATOM 598 C PRO A 38 -6.823 3.547 -5.471 1.00 9.28 C ATOM 599 O PRO A 38 -5.980 3.990 -4.696 1.00 6.50 O ATOM 600 CB PRO A 38 -5.536 2.242 -7.119 1.00 10.31 C ATOM 601 CG PRO A 38 -6.186 2.455 -8.458 1.00 10.81 C ATOM 602 CD PRO A 38 -7.542 1.680 -8.205 1.00 12.00 C ATOM 0 HA PRO A 38 -6.548 1.526 -5.147 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -4.845 3.055 -6.898 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.954 1.320 -7.120 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.341 3.509 -8.687 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.607 2.032 -9.279 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.360 2.145 -8.756 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.468 0.650 -8.554 1.00 12.00 H new ATOM 610 N ASP A 39 -7.881 4.259 -5.729 1.00 11.20 N ATOM 611 CA ASP A 39 -8.157 5.541 -5.130 1.00 14.96 C ATOM 612 C ASP A 39 -8.868 5.415 -3.766 1.00 13.99 C ATOM 613 O ASP A 39 -8.631 6.254 -2.886 1.00 13.75 O ATOM 614 CB ASP A 39 -9.058 6.426 -6.074 1.00 24.16 C ATOM 615 CG ASP A 39 -8.253 6.708 -7.334 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.119 7.237 -7.193 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.713 6.382 -8.439 1.00 34.22 O ATOM 0 H ASP A 39 -8.602 3.957 -6.384 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.187 6.014 -4.979 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.985 5.907 -6.318 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.335 7.357 -5.579 1.00 24.16 H new ATOM 622 N GLN A 40 -9.785 4.399 -3.624 1.00 11.60 N ATOM 623 CA GLN A 40 -10.496 3.993 -2.411 1.00 10.76 C ATOM 624 C GLN A 40 -9.565 3.557 -1.267 1.00 8.01 C ATOM 625 O GLN A 40 -9.803 3.772 -0.070 1.00 8.96 O ATOM 626 CB GLN A 40 -11.481 2.878 -2.784 1.00 11.14 C ATOM 627 CG GLN A 40 -12.297 3.168 -4.051 1.00 14.85 C ATOM 628 CD GLN A 40 -13.440 2.254 -4.300 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.742 1.365 -3.498 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.072 2.437 -5.476 1.00 18.16 N ATOM 0 H GLN A 40 -10.047 3.819 -4.421 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.028 4.861 -2.022 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.927 1.950 -2.925 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.166 2.718 -1.951 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.677 4.188 -3.992 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -11.628 3.126 -4.910 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.780 3.189 -6.100 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.843 1.824 -5.742 1.00 18.16 H new ATOM 639 N GLN A 41 -8.477 2.813 -1.709 1.00 6.52 N ATOM 640 CA GLN A 41 -7.439 2.361 -0.839 1.00 3.87 C ATOM 641 C GLN A 41 -6.533 3.492 -0.310 1.00 4.79 C ATOM 642 O GLN A 41 -6.233 4.390 -1.009 1.00 6.34 O ATOM 643 CB GLN A 41 -6.541 1.340 -1.535 1.00 4.20 C ATOM 644 CG GLN A 41 -7.127 0.032 -2.092 1.00 3.20 C ATOM 645 CD GLN A 41 -6.059 -0.623 -2.953 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.909 -0.818 -2.478 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.493 -1.111 -4.135 1.00 7.13 N ATOM 0 H GLN A 41 -8.345 2.539 -2.683 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.963 1.915 0.006 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.055 1.853 -2.365 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.759 1.066 -0.828 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.423 -0.631 -1.279 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.022 0.234 -2.680 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.441 -0.909 -4.453 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.873 -1.682 -4.710 1.00 7.13 H new ATOM 656 N ARG A 42 -6.054 3.285 0.905 1.00 5.73 N ATOM 657 CA ARG A 42 -5.056 4.043 1.560 1.00 6.97 C ATOM 658 C ARG A 42 -4.126 3.134 2.353 1.00 7.15 C ATOM 659 O ARG A 42 -4.459 2.159 2.996 1.00 7.33 O ATOM 660 CB ARG A 42 -5.576 5.079 2.602 1.00 13.23 C ATOM 661 CG ARG A 42 -6.123 6.291 1.880 1.00 21.27 C ATOM 662 CD ARG A 42 -7.657 6.195 1.577 1.00 26.14 C ATOM 663 NE ARG A 42 -8.092 7.582 1.110 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.807 8.499 1.786 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.264 8.312 3.012 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.187 9.568 1.085 1.00 36.39 N ATOM 0 H ARG A 42 -6.394 2.518 1.485 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.571 4.572 0.740 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.353 4.630 3.221 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.768 5.375 3.271 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.934 7.179 2.483 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.582 6.421 0.942 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.855 5.447 0.809 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -8.210 5.893 2.466 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.804 7.846 0.168 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.079 7.434 3.497 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.801 9.046 3.474 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.932 9.649 0.101 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.732 10.304 1.533 1.00 36.39 H new ATOM 680 N LEU A 43 -2.846 3.448 2.271 1.00 4.65 N ATOM 681 CA LEU A 43 -1.753 2.664 2.850 1.00 3.51 C ATOM 682 C LEU A 43 -1.117 3.332 4.046 1.00 5.56 C ATOM 683 O LEU A 43 -0.827 4.533 4.059 1.00 4.19 O ATOM 684 CB LEU A 43 -0.688 2.305 1.790 1.00 3.74 C ATOM 685 CG LEU A 43 -1.111 1.171 0.785 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.009 0.818 -0.284 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.507 -0.139 1.524 1.00 6.41 C ATOM 0 H LEU A 43 -2.520 4.283 1.784 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.205 1.739 3.209 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.445 3.203 1.221 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.223 1.996 2.302 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.971 1.587 0.260 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.377 0.028 -0.939 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.220 1.704 -0.877 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.894 0.478 0.223 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.792 -0.896 0.794 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.659 -0.498 2.107 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.347 0.058 2.189 1.00 6.41 H new ATOM 699 N ILE A 44 -0.876 2.568 5.080 1.00 4.58 N ATOM 700 CA ILE A 44 -0.234 3.039 6.299 1.00 5.55 C ATOM 701 C ILE A 44 1.134 2.209 6.565 1.00 5.46 C ATOM 702 O ILE A 44 1.166 1.003 6.435 1.00 6.04 O ATOM 703 CB ILE A 44 -1.114 2.787 7.568 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.513 3.353 7.453 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.362 3.362 8.819 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.679 4.850 7.294 1.00 13.90 C ATOM 0 H ILE A 44 -1.122 1.579 5.107 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.063 4.105 6.152 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.254 1.711 7.675 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.995 2.874 6.600 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.066 3.051 8.342 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.962 3.194 9.713 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.599 2.860 8.928 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.200 4.432 8.686 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.739 5.093 7.226 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.245 5.358 8.155 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.172 5.178 6.386 1.00 13.90 H new ATOM 718 N PHE A 45 2.220 2.934 6.805 1.00 6.75 N ATOM 719 CA PHE A 45 3.434 2.299 7.161 1.00 4.70 C ATOM 720 C PHE A 45 3.855 2.813 8.503 1.00 6.34 C ATOM 721 O PHE A 45 4.276 3.945 8.543 1.00 5.45 O ATOM 722 CB PHE A 45 4.477 2.580 6.098 1.00 5.51 C ATOM 723 CG PHE A 45 5.806 1.877 6.277 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.885 0.462 6.379 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.044 2.592 6.212 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.168 -0.230 6.419 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.256 1.895 6.166 1.00 6.64 C ATOM 728 CZ PHE A 45 8.341 0.490 6.309 1.00 6.84 C ATOM 0 H PHE A 45 2.262 3.952 6.754 1.00 6.75 H new ATOM 0 HA PHE A 45 3.310 1.218 7.224 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.066 2.298 5.129 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.657 3.655 6.067 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.973 -0.115 6.428 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.043 3.672 6.198 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.201 -1.303 6.534 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.167 2.454 6.015 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.300 -0.007 6.332 1.00 6.84 H new ATOM 738 N ALA A 46 3.850 1.900 9.462 1.00 6.53 N ATOM 739 CA ALA A 46 4.584 2.140 10.750 1.00 7.15 C ATOM 740 C ALA A 46 4.118 3.485 11.380 1.00 9.00 C ATOM 741 O ALA A 46 4.879 4.348 11.778 1.00 11.15 O ATOM 742 CB ALA A 46 6.113 2.161 10.416 1.00 8.99 C ATOM 0 H ALA A 46 3.369 1.003 9.403 1.00 6.53 H new ATOM 0 HA ALA A 46 4.378 1.356 11.478 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.683 2.334 11.329 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.404 1.204 9.982 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.319 2.960 9.704 1.00 8.99 H new ATOM 748 N GLY A 47 2.737 3.646 11.252 1.00 9.35 N ATOM 749 CA GLY A 47 2.020 4.732 11.801 1.00 11.68 C ATOM 750 C GLY A 47 1.975 6.006 11.026 1.00 11.14 C ATOM 751 O GLY A 47 1.554 7.093 11.528 1.00 13.93 O ATOM 0 H GLY A 47 2.147 2.984 10.748 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.993 4.405 11.966 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.445 4.952 12.780 1.00 11.68 H new ATOM 755 N LYS A 48 2.337 5.998 9.697 1.00 10.47 N ATOM 756 CA LYS A 48 2.235 7.166 8.886 1.00 8.82 C ATOM 757 C LYS A 48 1.477 6.797 7.575 1.00 7.68 C ATOM 758 O LYS A 48 1.759 5.785 6.974 1.00 6.47 O ATOM 759 CB LYS A 48 3.598 7.742 8.530 1.00 9.74 C ATOM 760 CG LYS A 48 3.712 8.804 7.391 1.00 14.14 C ATOM 761 CD LYS A 48 5.187 9.257 7.287 1.00 16.32 C ATOM 762 CE LYS A 48 5.497 10.382 6.391 1.00 20.04 C ATOM 763 NZ LYS A 48 6.891 10.890 6.518 1.00 23.92 N ATOM 0 H LYS A 48 2.695 5.177 9.209 1.00 10.47 H new ATOM 0 HA LYS A 48 1.696 7.925 9.453 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.010 8.189 9.435 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.246 6.907 8.263 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.378 8.380 6.444 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.068 9.657 7.603 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.527 9.522 8.288 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.779 8.400 6.966 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.327 10.070 5.360 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.804 11.198 6.595 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.034 11.680 5.857 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.053 11.219 7.491 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.561 10.126 6.295 1.00 23.92 H new ATOM 777 N GLN A 49 0.570 7.657 7.140 1.00 8.89 N ATOM 778 CA GLN A 49 -0.097 7.373 5.940 1.00 7.18 C ATOM 779 C GLN A 49 0.770 7.674 4.748 1.00 8.23 C ATOM 780 O GLN A 49 1.428 8.721 4.785 1.00 9.70 O ATOM 781 CB GLN A 49 -1.376 8.194 5.672 1.00 11.67 C ATOM 782 CG GLN A 49 -2.095 7.619 4.428 1.00 15.82 C ATOM 783 CD GLN A 49 -3.434 8.258 4.325 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.308 8.002 5.146 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.649 9.207 3.385 1.00 20.67 N ATOM 0 H GLN A 49 0.304 8.525 7.604 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.349 6.320 6.064 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.036 8.156 6.539 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.123 9.242 5.510 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.511 7.814 3.528 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.196 6.537 4.514 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.923 9.421 2.701 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.537 9.708 3.360 1.00 20.67 H new ATOM 794 N LEU A 50 0.909 6.826 3.684 1.00 6.51 N ATOM 795 CA LEU A 50 1.815 7.092 2.547 1.00 7.41 C ATOM 796 C LEU A 50 1.174 7.977 1.442 1.00 8.27 C ATOM 797 O LEU A 50 -0.069 7.915 1.210 1.00 8.34 O ATOM 798 CB LEU A 50 2.261 5.688 2.021 1.00 7.13 C ATOM 799 CG LEU A 50 3.001 4.729 2.962 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.646 3.578 2.194 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.038 5.469 3.845 1.00 9.11 C ATOM 0 H LEU A 50 0.396 5.948 3.601 1.00 6.51 H new ATOM 0 HA LEU A 50 2.674 7.681 2.869 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.368 5.173 1.666 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.900 5.852 1.153 1.00 7.13 H new ATOM 0 HG LEU A 50 2.255 4.302 3.632 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.161 2.918 2.892 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.876 3.016 1.666 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.362 3.976 1.475 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.539 4.752 4.496 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.775 5.958 3.208 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.530 6.218 4.453 1.00 9.11 H new ATOM 813 N GLU A 51 1.950 8.724 0.753 1.00 9.43 N ATOM 814 CA GLU A 51 1.550 9.553 -0.386 1.00 11.90 C ATOM 815 C GLU A 51 1.759 8.916 -1.669 1.00 11.49 C ATOM 816 O GLU A 51 2.783 8.258 -1.933 1.00 9.88 O ATOM 817 CB GLU A 51 2.402 10.784 -0.368 1.00 16.56 C ATOM 818 CG GLU A 51 2.232 11.793 0.877 1.00 26.06 C ATOM 819 CD GLU A 51 2.936 13.149 0.861 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.141 13.186 0.928 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.291 14.260 0.771 1.00 32.13 O ATOM 0 H GLU A 51 2.947 8.798 0.958 1.00 9.43 H new ATOM 0 HA GLU A 51 0.483 9.752 -0.282 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.445 10.471 -0.406 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.204 11.343 -1.283 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.165 11.983 0.998 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.565 11.265 1.770 1.00 26.06 H new ATOM 828 N ASP A 52 0.813 9.085 -2.677 1.00 12.71 N ATOM 829 CA ASP A 52 0.724 8.422 -3.943 1.00 16.56 C ATOM 830 C ASP A 52 1.868 8.423 -4.858 1.00 15.83 C ATOM 831 O ASP A 52 2.187 7.428 -5.518 1.00 17.21 O ATOM 832 CB ASP A 52 -0.537 9.025 -4.603 1.00 21.05 C ATOM 833 CG ASP A 52 -1.819 8.511 -3.879 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.138 8.993 -2.757 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.471 7.642 -4.426 1.00 28.37 O ATOM 0 H ASP A 52 0.054 9.756 -2.562 1.00 12.71 H new ATOM 0 HA ASP A 52 0.690 7.353 -3.733 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.496 10.113 -4.557 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.571 8.751 -5.658 1.00 21.05 H new ATOM 840 N GLY A 53 2.543 9.593 -5.015 1.00 15.00 N ATOM 841 CA GLY A 53 3.622 9.671 -6.010 1.00 11.77 C ATOM 842 C GLY A 53 4.988 9.377 -5.372 1.00 11.10 C ATOM 843 O GLY A 53 5.997 9.526 -6.041 1.00 11.25 O ATOM 0 H GLY A 53 2.365 10.449 -4.490 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.432 8.959 -6.813 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.634 10.664 -6.460 1.00 11.77 H new ATOM 847 N ARG A 54 5.087 8.992 -4.094 1.00 8.53 N ATOM 848 CA ARG A 54 6.279 8.602 -3.413 1.00 9.05 C ATOM 849 C ARG A 54 6.513 7.146 -3.657 1.00 8.96 C ATOM 850 O ARG A 54 5.575 6.413 -3.944 1.00 11.60 O ATOM 851 CB ARG A 54 6.202 8.874 -1.904 1.00 7.97 C ATOM 852 CG ARG A 54 6.387 10.400 -1.580 1.00 9.62 C ATOM 853 CD ARG A 54 7.846 10.841 -1.812 1.00 12.20 C ATOM 854 NE ARG A 54 7.875 12.236 -1.417 1.00 18.23 N ATOM 855 CZ ARG A 54 8.896 13.018 -1.047 1.00 22.08 C ATOM 856 NH1 ARG A 54 10.111 12.466 -0.919 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.600 14.306 -0.668 1.00 23.38 N ATOM 0 H ARG A 54 4.268 8.950 -3.487 1.00 8.53 H new ATOM 0 HA ARG A 54 7.106 9.196 -3.802 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.239 8.535 -1.521 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.971 8.297 -1.390 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.720 10.992 -2.207 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.105 10.592 -0.545 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.539 10.246 -1.217 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.136 10.719 -2.856 1.00 12.20 H new ATOM 0 HE ARG A 54 6.966 12.698 -1.422 1.00 18.23 H new ATOM 0 HH11 ARG A 54 10.241 11.471 -1.102 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.905 13.041 -0.638 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.633 14.631 -0.676 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.347 14.937 -0.378 1.00 23.38 H new ATOM 871 N THR A 55 7.794 6.737 -3.677 1.00 9.05 N ATOM 872 CA THR A 55 8.247 5.388 -3.924 1.00 9.03 C ATOM 873 C THR A 55 8.675 4.752 -2.639 1.00 8.15 C ATOM 874 O THR A 55 8.915 5.420 -1.600 1.00 5.91 O ATOM 875 CB THR A 55 9.399 5.266 -4.946 1.00 11.15 C ATOM 876 OG1 THR A 55 10.619 5.891 -4.559 1.00 11.95 O ATOM 877 CG2 THR A 55 8.983 5.728 -6.364 1.00 11.71 C ATOM 0 H THR A 55 8.566 7.382 -3.511 1.00 9.05 H new ATOM 0 HA THR A 55 7.391 4.875 -4.363 1.00 9.03 H new ATOM 0 HB THR A 55 9.606 4.196 -4.969 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.294 5.205 -4.375 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.828 5.622 -7.044 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.154 5.115 -6.718 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.673 6.773 -6.330 1.00 11.71 H new ATOM 885 N LEU A 56 8.694 3.401 -2.811 1.00 6.91 N ATOM 886 CA LEU A 56 9.074 2.451 -1.831 1.00 8.29 C ATOM 887 C LEU A 56 10.455 2.660 -1.287 1.00 8.05 C ATOM 888 O LEU A 56 10.647 2.597 -0.087 1.00 10.17 O ATOM 889 CB LEU A 56 8.866 1.057 -2.434 1.00 6.60 C ATOM 890 CG LEU A 56 7.418 0.605 -2.534 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.366 -0.840 -3.205 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.612 0.551 -1.204 1.00 8.64 C ATOM 0 H LEU A 56 8.425 2.966 -3.693 1.00 6.91 H new ATOM 0 HA LEU A 56 8.443 2.572 -0.950 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.305 1.041 -3.432 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.415 0.333 -1.833 1.00 6.60 H new ATOM 0 HG LEU A 56 6.936 1.377 -3.133 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.330 -1.170 -3.279 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.805 -0.794 -4.202 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.928 -1.546 -2.593 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.595 0.215 -1.408 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.093 -0.144 -0.515 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.582 1.544 -0.756 1.00 8.64 H new ATOM 904 N SER A 57 11.417 3.006 -2.207 1.00 8.92 N ATOM 905 CA SER A 57 12.719 3.395 -1.833 1.00 9.00 C ATOM 906 C SER A 57 12.812 4.692 -0.964 1.00 9.44 C ATOM 907 O SER A 57 13.702 4.812 -0.162 1.00 10.91 O ATOM 908 CB SER A 57 13.535 3.576 -3.121 1.00 10.32 C ATOM 909 OG SER A 57 13.014 4.693 -3.834 1.00 13.59 O ATOM 0 H SER A 57 11.258 3.006 -3.215 1.00 8.92 H new ATOM 0 HA SER A 57 13.110 2.607 -1.189 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.587 3.736 -2.884 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.480 2.676 -3.734 1.00 10.32 H new ATOM 0 HG SER A 57 13.527 4.822 -4.659 1.00 13.59 H new ATOM 915 N ASP A 58 11.965 5.721 -1.225 1.00 9.11 N ATOM 916 CA ASP A 58 11.959 7.046 -0.530 1.00 7.91 C ATOM 917 C ASP A 58 11.502 6.915 0.964 1.00 9.12 C ATOM 918 O ASP A 58 12.057 7.546 1.881 1.00 8.61 O ATOM 919 CB ASP A 58 11.047 8.035 -1.314 1.00 8.41 C ATOM 920 CG ASP A 58 11.615 9.452 -1.425 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.597 9.744 -0.766 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.049 10.316 -2.159 1.00 11.70 O ATOM 0 H ASP A 58 11.245 5.655 -1.944 1.00 9.11 H new ATOM 0 HA ASP A 58 12.977 7.435 -0.512 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.880 7.642 -2.317 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.074 8.082 -0.824 1.00 8.41 H new ATOM 927 N TYR A 59 10.638 5.945 1.247 1.00 7.97 N ATOM 928 CA TYR A 59 10.215 5.632 2.616 1.00 8.45 C ATOM 929 C TYR A 59 11.086 4.505 3.149 1.00 10.98 C ATOM 930 O TYR A 59 10.664 3.861 4.082 1.00 12.95 O ATOM 931 CB TYR A 59 8.744 5.139 2.610 1.00 7.94 C ATOM 932 CG TYR A 59 7.814 6.156 2.174 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.757 7.379 2.836 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.787 5.862 1.224 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.718 8.265 2.588 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.841 6.829 0.848 1.00 6.52 C ATOM 937 CZ TYR A 59 5.766 8.017 1.630 1.00 6.76 C ATOM 938 OH TYR A 59 4.734 8.912 1.377 1.00 7.63 O ATOM 0 H TYR A 59 10.209 5.352 0.537 1.00 7.97 H new ATOM 0 HA TYR A 59 10.307 6.524 3.235 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.659 4.271 1.956 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.472 4.810 3.613 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.526 7.640 3.547 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.738 4.876 0.787 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.656 9.176 3.165 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.194 6.677 -0.003 1.00 6.52 H new ATOM 0 HH TYR A 59 5.037 9.824 1.569 1.00 7.63 H new ATOM 948 N ASN A 60 12.189 4.160 2.512 1.00 12.38 N ATOM 949 CA ASN A 60 13.174 3.158 2.993 1.00 13.94 C ATOM 950 C ASN A 60 12.610 1.757 3.269 1.00 14.16 C ATOM 951 O ASN A 60 12.971 1.094 4.215 1.00 14.26 O ATOM 952 CB ASN A 60 13.887 3.668 4.179 1.00 19.23 C ATOM 953 CG ASN A 60 14.503 5.037 4.029 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.402 5.158 3.174 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.059 6.069 4.719 1.00 24.09 N ATOM 0 H ASN A 60 12.450 4.571 1.616 1.00 12.38 H new ATOM 0 HA ASN A 60 13.864 3.022 2.160 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.191 3.692 5.017 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.675 2.961 4.439 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.452 6.996 4.559 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.322 5.940 5.412 1.00 24.09 H new ATOM 962 N ILE A 61 11.591 1.360 2.456 1.00 11.08 N ATOM 963 CA ILE A 61 10.802 0.077 2.544 1.00 11.78 C ATOM 964 C ILE A 61 11.573 -1.016 1.859 1.00 13.74 C ATOM 965 O ILE A 61 11.671 -1.176 0.654 1.00 14.60 O ATOM 966 CB ILE A 61 9.410 0.082 2.037 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.454 1.033 2.864 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.806 -1.392 2.088 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.168 1.398 2.145 1.00 11.42 C ATOM 0 H ILE A 61 11.275 1.946 1.683 1.00 11.08 H new ATOM 0 HA ILE A 61 10.681 -0.081 3.616 1.00 11.78 H new ATOM 0 HB ILE A 61 9.460 0.455 1.014 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.205 0.548 3.808 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.993 1.948 3.109 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.782 -1.379 1.714 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.411 -2.055 1.469 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.811 -1.752 3.117 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.569 2.052 2.779 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.405 1.913 1.214 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.605 0.491 1.924 1.00 11.42 H new ATOM 981 N GLN A 62 12.212 -1.897 2.688 1.00 13.97 N ATOM 982 CA GLN A 62 13.003 -3.031 2.285 1.00 15.52 C ATOM 983 C GLN A 62 12.233 -4.323 2.331 1.00 13.94 C ATOM 984 O GLN A 62 11.183 -4.347 2.943 1.00 12.15 O ATOM 985 CB GLN A 62 14.340 -3.083 3.179 1.00 19.53 C ATOM 986 CG GLN A 62 15.291 -1.848 2.975 1.00 26.38 C ATOM 987 CD GLN A 62 16.670 -1.956 3.670 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.041 -2.890 4.356 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.446 -0.848 3.522 1.00 32.71 N ATOM 0 H GLN A 62 12.167 -1.802 3.703 1.00 13.97 H new ATOM 0 HA GLN A 62 13.281 -2.906 1.239 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.060 -3.144 4.231 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.889 -3.995 2.942 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.451 -1.705 1.906 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.785 -0.956 3.343 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.123 -0.072 2.944 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.351 -0.793 3.989 1.00 32.71 H new ATOM 998 N LYS A 63 12.749 -5.392 1.745 1.00 11.73 N ATOM 999 CA LYS A 63 12.194 -6.742 1.667 1.00 11.97 C ATOM 1000 C LYS A 63 11.498 -7.271 2.958 1.00 10.41 C ATOM 1001 O LYS A 63 12.018 -7.153 4.058 1.00 9.59 O ATOM 1002 CB LYS A 63 13.189 -7.762 1.103 1.00 13.73 C ATOM 1003 CG LYS A 63 14.437 -7.903 1.959 1.00 16.98 C ATOM 1004 CD LYS A 63 15.280 -9.151 1.565 1.00 20.19 C ATOM 1005 CE LYS A 63 16.544 -9.283 2.429 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.162 -9.867 3.766 1.00 25.97 N ATOM 0 H LYS A 63 13.649 -5.336 1.267 1.00 11.73 H new ATOM 0 HA LYS A 63 11.381 -6.628 0.950 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.700 -8.732 1.020 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.477 -7.463 0.095 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.049 -7.006 1.858 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.150 -7.976 3.008 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.671 -10.049 1.672 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.563 -9.081 0.515 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.275 -9.922 1.933 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.012 -8.308 2.563 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.011 -9.961 4.359 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.479 -9.240 4.236 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.733 -10.804 3.626 1.00 25.97 H new ATOM 1020 N GLU A 64 10.254 -7.782 2.774 1.00 10.04 N ATOM 1021 CA GLU A 64 9.472 -8.523 3.789 1.00 10.94 C ATOM 1022 C GLU A 64 8.981 -7.564 4.903 1.00 9.74 C ATOM 1023 O GLU A 64 8.749 -7.981 6.041 1.00 9.42 O ATOM 1024 CB GLU A 64 10.325 -9.759 4.307 1.00 18.31 C ATOM 1025 CG GLU A 64 10.685 -10.747 3.167 1.00 24.16 C ATOM 1026 CD GLU A 64 11.585 -11.923 3.581 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.725 -12.204 4.796 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.066 -12.654 2.691 1.00 32.61 O ATOM 0 H GLU A 64 9.756 -7.686 1.889 1.00 10.04 H new ATOM 0 HA GLU A 64 8.563 -8.938 3.353 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.241 -9.395 4.772 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.764 -10.287 5.078 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.761 -11.147 2.749 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.182 -10.193 2.371 1.00 24.16 H new ATOM 1035 N SER A 65 8.919 -6.235 4.673 1.00 6.85 N ATOM 1036 CA SER A 65 8.248 -5.194 5.441 1.00 6.90 C ATOM 1037 C SER A 65 6.781 -5.392 5.386 1.00 4.72 C ATOM 1038 O SER A 65 6.298 -5.885 4.352 1.00 3.91 O ATOM 1039 CB SER A 65 8.544 -3.764 4.962 1.00 7.28 C ATOM 1040 OG SER A 65 9.876 -3.408 5.315 1.00 10.56 O ATOM 0 H SER A 65 9.389 -5.837 3.860 1.00 6.85 H new ATOM 0 HA SER A 65 8.638 -5.289 6.454 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.413 -3.697 3.882 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.839 -3.066 5.412 1.00 7.28 H new ATOM 0 HG SER A 65 10.486 -3.666 4.593 1.00 10.56 H new ATOM 1046 N THR A 66 6.112 -5.044 6.499 1.00 4.48 N ATOM 1047 CA THR A 66 4.679 -5.040 6.678 1.00 3.80 C ATOM 1048 C THR A 66 4.057 -3.627 6.600 1.00 4.60 C ATOM 1049 O THR A 66 4.473 -2.643 7.278 1.00 5.33 O ATOM 1050 CB THR A 66 4.209 -5.777 7.887 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.809 -7.068 7.969 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.712 -5.969 7.907 1.00 3.40 C ATOM 0 H THR A 66 6.603 -4.742 7.340 1.00 4.48 H new ATOM 0 HA THR A 66 4.309 -5.602 5.821 1.00 3.80 H new ATOM 0 HB THR A 66 4.503 -5.159 8.736 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.485 -7.529 8.771 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.427 -6.511 8.809 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.220 -4.996 7.897 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.406 -6.539 7.029 1.00 3.40 H new ATOM 1060 N LEU A 67 2.997 -3.416 5.802 1.00 4.17 N ATOM 1061 CA LEU A 67 2.289 -2.182 5.593 1.00 3.85 C ATOM 1062 C LEU A 67 0.852 -2.485 5.862 1.00 3.80 C ATOM 1063 O LEU A 67 0.385 -3.589 5.731 1.00 5.54 O ATOM 1064 CB LEU A 67 2.311 -1.664 4.076 1.00 7.18 C ATOM 1065 CG LEU A 67 3.660 -0.977 3.579 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.850 -1.956 3.446 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.342 -0.063 2.326 1.00 11.66 C ATOM 0 H LEU A 67 2.597 -4.176 5.252 1.00 4.17 H new ATOM 0 HA LEU A 67 2.755 -1.428 6.227 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.099 -2.511 3.423 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.497 -0.950 3.947 1.00 7.18 H new ATOM 0 HG LEU A 67 4.041 -0.311 4.353 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.731 -1.413 3.103 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.058 -2.410 4.415 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.601 -2.735 2.726 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.260 0.411 1.979 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.925 -0.675 1.526 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.622 0.705 2.609 1.00 11.66 H new ATOM 1079 N HIS A 68 0.090 -1.541 6.319 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.309 -1.702 6.763 1.00 4.17 C ATOM 1081 C HIS A 68 -2.307 -1.032 5.785 1.00 5.32 C ATOM 1082 O HIS A 68 -1.992 0.029 5.302 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.525 -1.193 8.224 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.049 -2.187 9.242 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.085 -2.932 9.091 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.808 -2.774 10.259 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.045 -3.887 10.048 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.087 -3.867 10.774 1.00 16.30 N ATOM 0 H HIS A 68 0.419 -0.579 6.407 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.513 -2.773 6.759 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.994 -0.251 8.362 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.584 -0.989 8.384 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.781 -2.445 10.592 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.843 -4.596 10.213 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.360 -4.500 11.526 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.409 -1.719 5.500 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.359 -1.255 4.500 1.00 3.97 C ATOM 1098 C LEU A 69 -5.645 -0.746 5.157 1.00 5.07 C ATOM 1099 O LEU A 69 -6.282 -1.363 6.000 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.764 -2.443 3.584 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.661 -2.069 2.480 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.784 -1.397 1.429 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.323 -3.283 1.873 1.00 9.96 C ATOM 0 H LEU A 69 -3.664 -2.599 5.949 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.881 -0.453 3.938 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.862 -2.892 3.169 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.250 -3.207 4.191 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.453 -1.414 2.841 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.399 -1.096 0.581 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.307 -0.518 1.862 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.019 -2.096 1.093 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.979 -2.971 1.060 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.560 -3.958 1.485 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.909 -3.797 2.635 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.038 0.466 4.741 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.290 1.031 5.260 1.00 6.26 C ATOM 1117 C VAL A 70 -8.012 1.672 4.096 1.00 9.22 C ATOM 1118 O VAL A 70 -7.466 1.952 3.023 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.094 2.016 6.410 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.588 1.268 7.670 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.109 3.112 5.944 1.00 8.54 C ATOM 0 H VAL A 70 -5.533 1.052 4.076 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.882 0.226 5.695 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.037 2.489 6.683 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.451 1.979 8.485 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.319 0.515 7.964 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.637 0.783 7.448 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.953 3.828 6.751 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.156 2.655 5.676 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.521 3.627 5.076 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.299 1.880 4.295 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.130 2.169 3.148 1.00 16.06 C ATOM 1133 C LEU A 71 -10.972 3.405 3.385 1.00 18.09 C ATOM 1134 O LEU A 71 -11.478 3.732 4.446 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.065 1.049 2.798 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.390 -0.216 2.416 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.334 -1.408 2.350 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.636 -0.196 1.071 1.00 19.57 C ATOM 0 H LEU A 71 -9.774 1.856 5.198 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.434 2.319 2.323 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.716 0.856 3.650 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.704 1.369 1.975 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.668 -0.317 3.226 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.775 -2.299 2.065 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.792 -1.564 3.327 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.112 -1.216 1.611 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.182 -1.171 0.894 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.335 0.031 0.266 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.858 0.566 1.102 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.098 4.242 2.282 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.064 5.345 2.233 1.00 25.83 C ATOM 1152 C ARG A 72 -13.487 4.941 2.502 1.00 27.74 C ATOM 1153 O ARG A 72 -13.960 3.893 2.093 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.920 6.107 0.934 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.542 7.468 0.966 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.159 8.174 -0.335 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.059 9.354 -0.436 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.527 10.528 -0.870 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.423 10.659 -1.556 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.220 11.630 -0.435 1.00 35.02 N ATOM 0 H ARG A 72 -10.533 4.149 1.438 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.817 6.008 3.062 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.861 6.206 0.696 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.374 5.528 0.130 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.626 7.393 1.058 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.187 8.032 1.828 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.113 8.480 -0.320 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.285 7.511 -1.191 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.046 9.285 -0.187 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.880 9.834 -1.811 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.104 11.586 -1.837 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.045 11.514 0.154 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.910 12.565 -0.700 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.296 5.800 3.145 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.723 5.799 3.112 1.00 30.76 C ATOM 1176 C LEU A 73 -16.309 5.915 1.661 1.00 32.18 C ATOM 1177 O LEU A 73 -15.781 6.585 0.777 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.392 6.927 3.924 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.117 6.814 5.392 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.649 8.029 6.076 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.576 5.479 6.077 1.00 29.11 C ATOM 0 H LEU A 73 -13.924 6.549 3.730 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.954 4.833 3.562 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.035 7.892 3.563 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.469 6.903 3.756 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.034 6.764 5.503 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.455 7.958 7.146 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.158 8.916 5.676 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.723 8.101 5.906 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.326 5.510 7.137 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.654 5.363 5.961 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.068 4.636 5.609 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.435 5.175 1.446 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.312 5.245 0.220 1.00 35.33 C ATOM 1195 C ARG A 74 -19.162 6.488 -0.008 1.00 36.22 C ATOM 1196 O ARG A 74 -19.380 6.997 -1.126 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.299 4.027 0.269 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.639 2.645 0.029 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.863 2.588 -1.352 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.512 1.152 -1.672 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.164 0.808 -2.903 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.000 1.680 -3.890 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.940 -0.475 -3.194 1.00 41.93 N ATOM 0 H ARG A 74 -17.772 4.497 2.129 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.595 5.253 -0.601 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.791 4.015 1.242 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.077 4.177 -0.480 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.947 2.428 0.843 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.405 1.870 0.046 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.480 3.009 -2.146 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.957 3.192 -1.298 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.543 0.446 -0.937 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.143 2.676 -3.720 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.731 1.355 -4.819 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.037 -1.187 -2.470 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.672 -0.744 -4.141 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.682 7.044 1.118 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.465 8.264 1.117 1.00 36.07 C ATOM 1219 C GLY A 75 -19.536 9.522 1.220 1.00 36.16 C ATOM 1220 O GLY A 75 -20.007 10.655 1.159 1.00 36.26 O ATOM 0 H GLY A 75 -19.557 6.640 2.046 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.059 8.319 0.205 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.164 8.253 1.953 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.213 9.358 1.468 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.384 10.482 1.752 1.00 36.19 C ATOM 1226 C GLY A 76 -16.106 10.538 0.898 1.00 36.20 C ATOM 1227 O GLY A 76 -15.378 9.543 0.891 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.981 11.593 0.200 1.00 0.00 O ATOM 0 H GLY A 76 -17.733 8.458 1.470 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.958 11.395 1.592 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.106 10.460 2.806 1.00 36.19 H new TER 1232 GLY A 76