USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -3.84! C(o=-3.8!,f=-6.8!) USER MOD Single : A 6 HIS : no HE2:sc= -10.1! C(o=-10!,f=-9.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.00016) USER MOD Single : A 14 MET CE :methyl 150:sc= -7.76! (180deg=-11.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 17 HIS : no HD1:sc= -7.31! C(o=-7.3!,f=-5.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-3.1!) USER MOD Single : A 29 MET CE :methyl -140:sc= -0.369 (180deg=-1.68!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.129 K(o=0.13,f=-3.3!) USER MOD Single : A 34 THR OG1 : rot 18:sc= -11.1! USER MOD Single : A 36 CYS SG : rot 48:sc= -7.4! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.202 K(o=-0.2,f=-6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.108 USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= -0.642 (180deg=-2.25!) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.0214 (180deg=-0.38) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 159:sc= -10.8! (180deg=-11.7!) USER MOD Single : A 66 GLN : amide:sc= -0.373 K(o=-0.37,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.264 7.624 4.644 1.00 0.00 N ATOM 2 CA PRO A 1 -2.556 7.537 3.900 1.00 0.00 C ATOM 3 C PRO A 1 -3.158 6.136 4.050 1.00 0.00 C ATOM 4 O PRO A 1 -3.497 5.487 3.079 1.00 0.00 O ATOM 5 CB PRO A 1 -2.274 7.829 2.426 1.00 0.00 C ATOM 6 CG PRO A 1 -0.818 8.266 2.326 1.00 0.00 C ATOM 7 CD PRO A 1 -0.232 8.212 3.737 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.973 6.698 4.958 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.373 8.201 5.478 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.269 8.259 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.453 6.943 1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -2.937 8.610 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.265 7.610 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.746 9.274 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.675 7.608 3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.046 9.211 4.073 1.00 0.00 H new ATOM 17 N ILE A 2 -3.303 5.669 5.261 1.00 0.00 N ATOM 18 CA ILE A 2 -3.891 4.315 5.477 1.00 0.00 C ATOM 19 C ILE A 2 -5.376 4.461 5.804 1.00 0.00 C ATOM 20 O ILE A 2 -6.224 3.825 5.204 1.00 0.00 O ATOM 21 CB ILE A 2 -3.179 3.629 6.645 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.684 3.945 6.587 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.384 2.116 6.550 1.00 0.00 C ATOM 24 CD1 ILE A 2 -1.098 3.413 5.277 1.00 0.00 C ATOM 0 H ILE A 2 -3.039 6.167 6.111 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.769 3.714 4.576 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.591 3.993 7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.526 5.021 6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.173 3.492 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.877 1.627 7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.449 1.890 6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.972 1.751 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.032 3.639 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.242 2.334 5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.601 3.887 4.434 1.00 0.00 H new ATOM 36 N SER A 3 -5.698 5.299 6.751 1.00 0.00 N ATOM 37 CA SER A 3 -7.126 5.492 7.116 1.00 0.00 C ATOM 38 C SER A 3 -7.951 5.664 5.842 1.00 0.00 C ATOM 39 O SER A 3 -8.997 5.069 5.688 1.00 0.00 O ATOM 40 CB SER A 3 -7.263 6.738 7.990 1.00 0.00 C ATOM 41 OG SER A 3 -8.470 7.412 7.660 1.00 0.00 O ATOM 0 H SER A 3 -5.033 5.857 7.286 1.00 0.00 H new ATOM 0 HA SER A 3 -7.486 4.624 7.668 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.265 6.459 9.044 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.410 7.399 7.837 1.00 0.00 H new ATOM 0 HG SER A 3 -8.562 8.211 8.220 1.00 0.00 H new ATOM 47 N GLN A 4 -7.492 6.472 4.924 1.00 0.00 N ATOM 48 CA GLN A 4 -8.262 6.663 3.662 1.00 0.00 C ATOM 49 C GLN A 4 -8.493 5.301 3.010 1.00 0.00 C ATOM 50 O GLN A 4 -9.616 4.881 2.825 1.00 0.00 O ATOM 51 CB GLN A 4 -7.495 7.572 2.694 1.00 0.00 C ATOM 52 CG GLN A 4 -5.989 7.414 2.906 1.00 0.00 C ATOM 53 CD GLN A 4 -5.461 8.627 3.671 1.00 0.00 C ATOM 54 OE1 GLN A 4 -5.240 8.559 4.864 1.00 0.00 O ATOM 55 NE2 GLN A 4 -5.248 9.745 3.032 1.00 0.00 N ATOM 0 H GLN A 4 -6.624 7.004 4.992 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.217 7.134 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.754 7.321 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.785 8.611 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -5.782 6.500 3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.481 7.325 1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.433 9.803 2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.896 10.560 3.534 1.00 0.00 H new ATOM 64 N VAL A 5 -7.446 4.597 2.669 1.00 0.00 N ATOM 65 CA VAL A 5 -7.635 3.259 2.044 1.00 0.00 C ATOM 66 C VAL A 5 -8.668 2.495 2.853 1.00 0.00 C ATOM 67 O VAL A 5 -9.759 2.256 2.401 1.00 0.00 O ATOM 68 CB VAL A 5 -6.319 2.473 2.054 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.501 1.127 1.351 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.222 3.269 1.345 1.00 0.00 C ATOM 0 H VAL A 5 -6.477 4.889 2.795 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.963 3.385 1.012 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.029 2.302 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.559 0.579 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.266 0.547 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.808 1.294 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.293 2.700 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.518 3.456 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.073 4.219 1.857 1.00 0.00 H new ATOM 80 N HIS A 6 -8.333 2.119 4.051 1.00 0.00 N ATOM 81 CA HIS A 6 -9.293 1.372 4.901 1.00 0.00 C ATOM 82 C HIS A 6 -10.716 1.894 4.678 1.00 0.00 C ATOM 83 O HIS A 6 -11.666 1.139 4.642 1.00 0.00 O ATOM 84 CB HIS A 6 -8.903 1.582 6.361 1.00 0.00 C ATOM 85 CG HIS A 6 -7.614 0.859 6.642 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.564 -0.512 6.837 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.319 1.303 6.760 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.278 -0.843 7.059 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.477 0.227 7.023 1.00 0.00 N ATOM 0 H HIS A 6 -7.426 2.299 4.482 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.265 0.313 4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.789 2.646 6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.691 1.212 7.016 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.357 -1.153 6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.003 2.331 6.663 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.935 -1.850 7.244 1.00 0.00 H new ATOM 97 N GLU A 7 -10.865 3.181 4.526 1.00 0.00 N ATOM 98 CA GLU A 7 -12.224 3.764 4.321 1.00 0.00 C ATOM 99 C GLU A 7 -12.799 3.322 2.971 1.00 0.00 C ATOM 100 O GLU A 7 -13.928 2.894 2.887 1.00 0.00 O ATOM 101 CB GLU A 7 -12.129 5.305 4.426 1.00 0.00 C ATOM 102 CG GLU A 7 -12.296 5.995 3.061 1.00 0.00 C ATOM 103 CD GLU A 7 -13.757 5.913 2.612 1.00 0.00 C ATOM 104 OE1 GLU A 7 -14.594 5.590 3.438 1.00 0.00 O ATOM 105 OE2 GLU A 7 -14.013 6.176 1.448 1.00 0.00 O ATOM 0 H GLU A 7 -10.102 3.858 4.535 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.904 3.402 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.896 5.668 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.164 5.579 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.986 7.038 3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.652 5.519 2.322 1.00 0.00 H new ATOM 112 N ILE A 8 -12.040 3.429 1.921 1.00 0.00 N ATOM 113 CA ILE A 8 -12.565 3.020 0.577 1.00 0.00 C ATOM 114 C ILE A 8 -12.578 1.490 0.478 1.00 0.00 C ATOM 115 O ILE A 8 -13.581 0.888 0.147 1.00 0.00 O ATOM 116 CB ILE A 8 -11.708 3.651 -0.563 1.00 0.00 C ATOM 117 CG1 ILE A 8 -11.403 2.622 -1.677 1.00 0.00 C ATOM 118 CG2 ILE A 8 -10.393 4.216 -0.016 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.183 1.749 -1.318 1.00 0.00 C ATOM 0 H ILE A 8 -11.082 3.779 1.926 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.585 3.387 0.462 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.295 4.464 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.274 1.986 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.215 3.144 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.816 4.650 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.608 4.986 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.818 3.415 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.996 1.037 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.307 2.384 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.382 1.208 -0.393 1.00 0.00 H new ATOM 131 N GLY A 9 -11.475 0.863 0.750 1.00 0.00 N ATOM 132 CA GLY A 9 -11.417 -0.608 0.662 1.00 0.00 C ATOM 133 C GLY A 9 -12.614 -1.197 1.404 1.00 0.00 C ATOM 134 O GLY A 9 -13.367 -1.975 0.864 1.00 0.00 O ATOM 0 H GLY A 9 -10.605 1.314 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.428 -0.924 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.487 -0.975 1.096 1.00 0.00 H new ATOM 138 N ILE A 10 -12.812 -0.828 2.641 1.00 0.00 N ATOM 139 CA ILE A 10 -13.978 -1.382 3.381 1.00 0.00 C ATOM 140 C ILE A 10 -15.271 -0.857 2.744 1.00 0.00 C ATOM 141 O ILE A 10 -16.241 -1.574 2.598 1.00 0.00 O ATOM 142 CB ILE A 10 -13.891 -0.962 4.860 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.491 -2.183 5.673 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.238 -0.432 5.376 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.516 -3.289 5.431 1.00 0.00 C ATOM 0 H ILE A 10 -12.226 -0.177 3.163 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.975 -2.471 3.328 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.157 -0.162 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.496 -2.520 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.447 -1.933 6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.139 -0.145 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.537 0.436 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.995 -1.211 5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.242 -4.172 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.503 -2.945 5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.536 -3.541 4.371 1.00 0.00 H new ATOM 157 N LYS A 11 -15.293 0.395 2.388 1.00 0.00 N ATOM 158 CA LYS A 11 -16.520 0.980 1.784 1.00 0.00 C ATOM 159 C LYS A 11 -16.833 0.292 0.454 1.00 0.00 C ATOM 160 O LYS A 11 -17.909 0.439 -0.091 1.00 0.00 O ATOM 161 CB LYS A 11 -16.301 2.474 1.543 1.00 0.00 C ATOM 162 CG LYS A 11 -16.719 3.262 2.787 1.00 0.00 C ATOM 163 CD LYS A 11 -17.214 4.648 2.371 1.00 0.00 C ATOM 164 CE LYS A 11 -18.675 4.552 1.924 1.00 0.00 C ATOM 165 NZ LYS A 11 -18.818 5.143 0.564 1.00 0.00 N ATOM 0 H LYS A 11 -14.510 1.041 2.490 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.358 0.833 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.253 2.666 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.881 2.802 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.505 2.729 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.876 3.356 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.122 5.345 3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.599 5.038 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.996 3.510 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.318 5.078 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.810 5.078 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.528 6.141 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.216 4.623 -0.106 1.00 0.00 H new ATOM 179 N ARG A 12 -15.906 -0.456 -0.074 1.00 0.00 N ATOM 180 CA ARG A 12 -16.162 -1.145 -1.372 1.00 0.00 C ATOM 181 C ARG A 12 -15.908 -2.643 -1.210 1.00 0.00 C ATOM 182 O ARG A 12 -15.858 -3.380 -2.174 1.00 0.00 O ATOM 183 CB ARG A 12 -15.225 -0.584 -2.443 1.00 0.00 C ATOM 184 CG ARG A 12 -15.952 -0.545 -3.787 1.00 0.00 C ATOM 185 CD ARG A 12 -16.970 0.597 -3.783 1.00 0.00 C ATOM 186 NE ARG A 12 -16.426 1.757 -4.546 1.00 0.00 N ATOM 187 CZ ARG A 12 -15.151 2.040 -4.490 1.00 0.00 C ATOM 188 NH1 ARG A 12 -14.645 2.553 -3.402 1.00 0.00 N ATOM 189 NH2 ARG A 12 -14.385 1.807 -5.520 1.00 0.00 N ATOM 0 H ARG A 12 -14.986 -0.621 0.333 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.197 -0.980 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.897 0.418 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.331 -1.203 -2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.235 -0.405 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.455 -1.495 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -17.907 0.263 -4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -17.193 0.895 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.050 2.331 -5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.244 2.733 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.650 2.774 -3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.781 1.404 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.390 2.028 -5.476 1.00 0.00 H new ATOM 203 N ASN A 13 -15.736 -3.095 0.004 1.00 0.00 N ATOM 204 CA ASN A 13 -15.474 -4.543 0.238 1.00 0.00 C ATOM 205 C ASN A 13 -14.001 -4.845 -0.048 1.00 0.00 C ATOM 206 O ASN A 13 -13.516 -5.923 0.232 1.00 0.00 O ATOM 207 CB ASN A 13 -16.359 -5.388 -0.682 1.00 0.00 C ATOM 208 CG ASN A 13 -16.456 -6.811 -0.129 1.00 0.00 C ATOM 209 OD1 ASN A 13 -17.102 -7.043 0.874 1.00 0.00 O ATOM 210 ND2 ASN A 13 -15.837 -7.780 -0.746 1.00 0.00 N ATOM 0 H ASN A 13 -15.766 -2.520 0.846 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.703 -4.787 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.353 -4.946 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.943 -5.405 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -15.895 -8.733 -0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.295 -7.585 -1.588 1.00 0.00 H new ATOM 217 N MET A 14 -13.282 -3.904 -0.604 1.00 0.00 N ATOM 218 CA MET A 14 -11.850 -4.146 -0.901 1.00 0.00 C ATOM 219 C MET A 14 -11.037 -4.068 0.391 1.00 0.00 C ATOM 220 O MET A 14 -10.581 -3.017 0.787 1.00 0.00 O ATOM 221 CB MET A 14 -11.357 -3.087 -1.883 1.00 0.00 C ATOM 222 CG MET A 14 -11.560 -3.593 -3.313 1.00 0.00 C ATOM 223 SD MET A 14 -12.316 -2.288 -4.310 1.00 0.00 S ATOM 224 CE MET A 14 -11.347 -0.916 -3.642 1.00 0.00 C ATOM 0 H MET A 14 -13.630 -2.981 -0.863 1.00 0.00 H new ATOM 0 HA MET A 14 -11.729 -5.136 -1.340 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.901 -2.154 -1.734 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.303 -2.873 -1.706 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.604 -3.888 -3.745 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.196 -4.478 -3.310 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.230 -0.147 -4.406 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.861 -0.494 -2.779 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.365 -1.278 -3.338 1.00 0.00 H new ATOM 234 N THR A 15 -10.855 -5.175 1.051 1.00 0.00 N ATOM 235 CA THR A 15 -10.074 -5.166 2.319 1.00 0.00 C ATOM 236 C THR A 15 -8.831 -4.290 2.158 1.00 0.00 C ATOM 237 O THR A 15 -8.389 -4.019 1.064 1.00 0.00 O ATOM 238 CB THR A 15 -9.651 -6.595 2.674 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.183 -7.501 1.717 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.193 -6.939 4.060 1.00 0.00 C ATOM 0 H THR A 15 -11.213 -6.087 0.768 1.00 0.00 H new ATOM 0 HA THR A 15 -10.696 -4.763 3.118 1.00 0.00 H new ATOM 0 HB THR A 15 -8.564 -6.671 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.910 -8.414 1.944 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.898 -7.955 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.788 -6.241 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.281 -6.867 4.054 1.00 0.00 H new ATOM 248 N VAL A 16 -8.264 -3.853 3.248 1.00 0.00 N ATOM 249 CA VAL A 16 -7.041 -3.003 3.176 1.00 0.00 C ATOM 250 C VAL A 16 -5.982 -3.617 4.082 1.00 0.00 C ATOM 251 O VAL A 16 -5.982 -3.400 5.277 1.00 0.00 O ATOM 252 CB VAL A 16 -7.362 -1.588 3.669 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.059 -0.813 3.906 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.205 -0.863 2.618 1.00 0.00 C ATOM 0 H VAL A 16 -8.597 -4.049 4.192 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.685 -2.950 2.147 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.918 -1.649 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.292 0.192 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.460 -1.329 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.498 -0.751 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.434 0.144 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.649 -0.805 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.133 -1.411 2.455 1.00 0.00 H new ATOM 264 N HIS A 17 -5.086 -4.397 3.544 1.00 0.00 N ATOM 265 CA HIS A 17 -4.057 -5.018 4.443 1.00 0.00 C ATOM 266 C HIS A 17 -2.660 -4.485 4.125 1.00 0.00 C ATOM 267 O HIS A 17 -1.969 -4.988 3.261 1.00 0.00 O ATOM 268 CB HIS A 17 -4.059 -6.542 4.298 1.00 0.00 C ATOM 269 CG HIS A 17 -5.333 -7.109 4.867 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.880 -6.653 6.057 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.179 -8.096 4.421 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.003 -7.358 6.284 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.232 -8.251 5.317 1.00 0.00 N ATOM 0 H HIS A 17 -5.016 -4.630 2.553 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.315 -4.753 5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.966 -6.816 3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.199 -6.966 4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.046 -8.665 3.513 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.642 -7.219 7.144 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.011 -8.906 5.250 1.00 0.00 H new ATOM 281 N PHE A 18 -2.240 -3.478 4.835 1.00 0.00 N ATOM 282 CA PHE A 18 -0.888 -2.902 4.612 1.00 0.00 C ATOM 283 C PHE A 18 0.162 -3.763 5.320 1.00 0.00 C ATOM 284 O PHE A 18 0.142 -3.913 6.526 1.00 0.00 O ATOM 285 CB PHE A 18 -0.857 -1.488 5.188 1.00 0.00 C ATOM 286 CG PHE A 18 -1.583 -0.569 4.246 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.946 -0.138 3.085 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.894 -0.159 4.522 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.611 0.703 2.197 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.562 0.686 3.631 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.919 1.119 2.467 1.00 0.00 C ATOM 0 H PHE A 18 -2.783 -3.024 5.569 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.668 -2.876 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.327 -1.470 6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.173 -1.156 5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.064 -0.456 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.388 -0.495 5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.115 1.035 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.573 1.004 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.432 1.774 1.778 1.00 0.00 H new ATOM 301 N LYS A 19 1.080 -4.328 4.584 1.00 0.00 N ATOM 302 CA LYS A 19 2.128 -5.171 5.223 1.00 0.00 C ATOM 303 C LYS A 19 3.413 -5.078 4.403 1.00 0.00 C ATOM 304 O LYS A 19 3.457 -5.485 3.260 1.00 0.00 O ATOM 305 CB LYS A 19 1.655 -6.626 5.268 1.00 0.00 C ATOM 306 CG LYS A 19 2.395 -7.370 6.380 1.00 0.00 C ATOM 307 CD LYS A 19 2.418 -8.867 6.066 1.00 0.00 C ATOM 308 CE LYS A 19 2.950 -9.635 7.278 1.00 0.00 C ATOM 309 NZ LYS A 19 2.548 -11.067 7.175 1.00 0.00 N ATOM 0 H LYS A 19 1.149 -4.242 3.570 1.00 0.00 H new ATOM 0 HA LYS A 19 2.314 -4.820 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.580 -6.665 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.839 -7.109 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.413 -6.991 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.904 -7.196 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.415 -9.212 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.047 -9.057 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.036 -9.554 7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.557 -9.201 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.909 -11.589 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.511 -11.135 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.943 -11.477 6.305 1.00 0.00 H new ATOM 323 N VAL A 20 4.458 -4.544 4.971 1.00 0.00 N ATOM 324 CA VAL A 20 5.732 -4.425 4.210 1.00 0.00 C ATOM 325 C VAL A 20 6.437 -5.777 4.189 1.00 0.00 C ATOM 326 O VAL A 20 6.780 -6.333 5.214 1.00 0.00 O ATOM 327 CB VAL A 20 6.616 -3.366 4.867 1.00 0.00 C ATOM 328 CG1 VAL A 20 8.021 -3.420 4.262 1.00 0.00 C ATOM 329 CG2 VAL A 20 6.003 -1.984 4.614 1.00 0.00 C ATOM 0 H VAL A 20 4.485 -4.186 5.926 1.00 0.00 H new ATOM 0 HA VAL A 20 5.527 -4.122 3.183 1.00 0.00 H new ATOM 0 HB VAL A 20 6.682 -3.553 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.649 -2.664 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.452 -4.407 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.963 -3.228 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.626 -1.219 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.945 -1.802 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.002 -1.946 5.043 1.00 0.00 H new ATOM 339 N LEU A 21 6.632 -6.318 3.017 1.00 0.00 N ATOM 340 CA LEU A 21 7.287 -7.648 2.907 1.00 0.00 C ATOM 341 C LEU A 21 8.644 -7.521 2.213 1.00 0.00 C ATOM 342 O LEU A 21 9.265 -8.507 1.868 1.00 0.00 O ATOM 343 CB LEU A 21 6.391 -8.579 2.094 1.00 0.00 C ATOM 344 CG LEU A 21 5.685 -7.793 0.997 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.460 -8.693 -0.220 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.345 -7.329 1.542 1.00 0.00 C ATOM 0 H LEU A 21 6.364 -5.893 2.129 1.00 0.00 H new ATOM 0 HA LEU A 21 7.441 -8.052 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.987 -9.379 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.656 -9.051 2.746 1.00 0.00 H new ATOM 0 HG LEU A 21 6.290 -6.939 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.955 -8.127 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.421 -9.049 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.844 -9.545 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.817 -6.762 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.749 -8.196 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.507 -6.696 2.415 1.00 0.00 H new ATOM 358 N ARG A 22 9.116 -6.324 1.998 1.00 0.00 N ATOM 359 CA ARG A 22 10.435 -6.168 1.321 1.00 0.00 C ATOM 360 C ARG A 22 11.049 -4.812 1.669 1.00 0.00 C ATOM 361 O ARG A 22 10.362 -3.882 2.044 1.00 0.00 O ATOM 362 CB ARG A 22 10.245 -6.265 -0.194 1.00 0.00 C ATOM 363 CG ARG A 22 10.575 -7.684 -0.662 1.00 0.00 C ATOM 364 CD ARG A 22 11.817 -7.650 -1.556 1.00 0.00 C ATOM 365 NE ARG A 22 12.430 -9.009 -1.615 1.00 0.00 N ATOM 366 CZ ARG A 22 12.435 -9.774 -0.557 1.00 0.00 C ATOM 367 NH1 ARG A 22 11.353 -10.418 -0.212 1.00 0.00 N ATOM 368 NH2 ARG A 22 13.522 -9.892 0.157 1.00 0.00 N ATOM 0 H ARG A 22 8.651 -5.454 2.259 1.00 0.00 H new ATOM 0 HA ARG A 22 11.103 -6.959 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.218 -6.013 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.890 -5.545 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.750 -8.331 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.731 -8.103 -1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.547 -7.318 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.538 -6.932 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 22 12.847 -9.341 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.504 -10.323 -0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.357 -11.016 0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.366 -9.387 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.527 -10.489 0.984 1.00 0.00 H new ATOM 382 N GLU A 23 12.343 -4.696 1.545 1.00 0.00 N ATOM 383 CA GLU A 23 13.019 -3.404 1.863 1.00 0.00 C ATOM 384 C GLU A 23 14.240 -3.247 0.955 1.00 0.00 C ATOM 385 O GLU A 23 15.319 -2.912 1.401 1.00 0.00 O ATOM 386 CB GLU A 23 13.476 -3.381 3.331 1.00 0.00 C ATOM 387 CG GLU A 23 13.107 -4.694 4.032 1.00 0.00 C ATOM 388 CD GLU A 23 14.092 -5.789 3.617 1.00 0.00 C ATOM 389 OE1 GLU A 23 15.114 -5.452 3.043 1.00 0.00 O ATOM 390 OE2 GLU A 23 13.808 -6.946 3.882 1.00 0.00 O ATOM 0 H GLU A 23 12.965 -5.443 1.236 1.00 0.00 H new ATOM 0 HA GLU A 23 12.317 -2.586 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.554 -3.227 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.011 -2.543 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.130 -4.560 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.090 -4.986 3.769 1.00 0.00 H new ATOM 397 N GLU A 24 14.079 -3.494 -0.317 1.00 0.00 N ATOM 398 CA GLU A 24 15.231 -3.366 -1.253 1.00 0.00 C ATOM 399 C GLU A 24 15.975 -2.059 -0.977 1.00 0.00 C ATOM 400 O GLU A 24 15.428 -0.983 -1.112 1.00 0.00 O ATOM 401 CB GLU A 24 14.720 -3.366 -2.696 1.00 0.00 C ATOM 402 CG GLU A 24 15.245 -4.605 -3.423 1.00 0.00 C ATOM 403 CD GLU A 24 14.621 -4.682 -4.816 1.00 0.00 C ATOM 404 OE1 GLU A 24 14.770 -3.729 -5.564 1.00 0.00 O ATOM 405 OE2 GLU A 24 14.004 -5.691 -5.113 1.00 0.00 O ATOM 0 H GLU A 24 13.199 -3.779 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 24 15.909 -4.207 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.630 -3.359 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.050 -2.463 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.331 -4.560 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.003 -5.503 -2.854 1.00 0.00 H new ATOM 412 N GLY A 25 17.218 -2.143 -0.593 1.00 0.00 N ATOM 413 CA GLY A 25 17.993 -0.903 -0.312 1.00 0.00 C ATOM 414 C GLY A 25 19.097 -1.202 0.707 1.00 0.00 C ATOM 415 O GLY A 25 19.014 -0.787 1.845 1.00 0.00 O ATOM 0 H GLY A 25 17.730 -3.015 -0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.430 -0.520 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.330 -0.128 0.073 1.00 0.00 H new ATOM 419 N PRO A 26 20.103 -1.912 0.265 1.00 0.00 N ATOM 420 CA PRO A 26 21.245 -2.273 1.124 1.00 0.00 C ATOM 421 C PRO A 26 21.959 -1.007 1.599 1.00 0.00 C ATOM 422 O PRO A 26 21.835 -0.597 2.736 1.00 0.00 O ATOM 423 CB PRO A 26 22.166 -3.107 0.223 1.00 0.00 C ATOM 424 CG PRO A 26 21.501 -3.198 -1.176 1.00 0.00 C ATOM 425 CD PRO A 26 20.183 -2.410 -1.120 1.00 0.00 C ATOM 0 HA PRO A 26 20.942 -2.822 2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.150 -2.644 0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 26 22.312 -4.102 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 26 22.160 -2.786 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 26 21.314 -4.238 -1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 26 20.182 -1.589 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 26 19.331 -3.045 -1.362 1.00 0.00 H new ATOM 433 N ALA A 27 22.702 -0.384 0.729 1.00 0.00 N ATOM 434 CA ALA A 27 23.426 0.860 1.114 1.00 0.00 C ATOM 435 C ALA A 27 23.101 1.960 0.103 1.00 0.00 C ATOM 436 O ALA A 27 23.827 2.925 -0.038 1.00 0.00 O ATOM 437 CB ALA A 27 24.932 0.595 1.111 1.00 0.00 C ATOM 0 H ALA A 27 22.840 -0.683 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 27 23.116 1.172 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 27 25.462 1.505 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 27 25.164 -0.196 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 27 25.245 0.287 0.114 1.00 0.00 H new ATOM 443 N HIS A 28 22.015 1.817 -0.606 1.00 0.00 N ATOM 444 CA HIS A 28 21.637 2.845 -1.616 1.00 0.00 C ATOM 445 C HIS A 28 20.177 2.637 -2.025 1.00 0.00 C ATOM 446 O HIS A 28 19.690 1.525 -2.072 1.00 0.00 O ATOM 447 CB HIS A 28 22.540 2.711 -2.847 1.00 0.00 C ATOM 448 CG HIS A 28 22.929 1.268 -3.033 1.00 0.00 C ATOM 449 ND1 HIS A 28 24.221 0.886 -3.361 1.00 0.00 N ATOM 450 CD2 HIS A 28 22.207 0.104 -2.937 1.00 0.00 C ATOM 451 CE1 HIS A 28 24.236 -0.457 -3.450 1.00 0.00 C ATOM 452 NE2 HIS A 28 23.033 -0.983 -3.201 1.00 0.00 N ATOM 0 H HIS A 28 21.371 1.030 -0.529 1.00 0.00 H new ATOM 0 HA HIS A 28 21.758 3.840 -1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 28 22.020 3.075 -3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 28 23.432 3.326 -2.725 1.00 0.00 H new ATOM 0 HD1 HIS A 28 25.015 1.509 -3.508 1.00 0.00 H new ATOM 0 HD2 HIS A 28 21.157 0.042 -2.693 1.00 0.00 H new ATOM 0 HE1 HIS A 28 25.113 -1.038 -3.693 1.00 0.00 H new ATOM 460 N MET A 29 19.473 3.696 -2.317 1.00 0.00 N ATOM 461 CA MET A 29 18.044 3.551 -2.718 1.00 0.00 C ATOM 462 C MET A 29 17.299 2.743 -1.654 1.00 0.00 C ATOM 463 O MET A 29 16.990 1.584 -1.843 1.00 0.00 O ATOM 464 CB MET A 29 17.961 2.823 -4.061 1.00 0.00 C ATOM 465 CG MET A 29 17.727 3.841 -5.179 1.00 0.00 C ATOM 466 SD MET A 29 16.014 3.725 -5.751 1.00 0.00 S ATOM 467 CE MET A 29 16.097 2.029 -6.379 1.00 0.00 C ATOM 0 H MET A 29 19.824 4.653 -2.296 1.00 0.00 H new ATOM 0 HA MET A 29 17.590 4.538 -2.812 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.882 2.270 -4.245 1.00 0.00 H new ATOM 0 HB3 MET A 29 17.151 2.094 -4.042 1.00 0.00 H new ATOM 0 HG2 MET A 29 17.934 4.848 -4.817 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.411 3.653 -6.006 1.00 0.00 H new ATOM 0 HE1 MET A 29 15.540 1.959 -7.314 1.00 0.00 H new ATOM 0 HE2 MET A 29 17.138 1.757 -6.555 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.663 1.348 -5.647 1.00 0.00 H new ATOM 477 N LYS A 30 17.013 3.345 -0.532 1.00 0.00 N ATOM 478 CA LYS A 30 16.297 2.614 0.545 1.00 0.00 C ATOM 479 C LYS A 30 14.787 2.665 0.292 1.00 0.00 C ATOM 480 O LYS A 30 14.100 3.555 0.752 1.00 0.00 O ATOM 481 CB LYS A 30 16.611 3.273 1.889 1.00 0.00 C ATOM 482 CG LYS A 30 18.018 2.873 2.339 1.00 0.00 C ATOM 483 CD LYS A 30 18.026 1.403 2.763 1.00 0.00 C ATOM 484 CE LYS A 30 17.353 1.259 4.129 1.00 0.00 C ATOM 485 NZ LYS A 30 18.369 0.852 5.141 1.00 0.00 N ATOM 0 H LYS A 30 17.246 4.314 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 30 16.622 1.574 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.541 4.357 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.878 2.967 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.728 3.031 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.337 3.503 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.502 0.798 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.050 1.033 2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.891 2.202 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.557 0.516 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.913 0.754 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.790 -0.058 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.114 1.576 5.196 1.00 0.00 H new ATOM 499 N ASN A 31 14.262 1.713 -0.432 1.00 0.00 N ATOM 500 CA ASN A 31 12.796 1.707 -0.704 1.00 0.00 C ATOM 501 C ASN A 31 12.129 0.597 0.108 1.00 0.00 C ATOM 502 O ASN A 31 12.774 -0.114 0.854 1.00 0.00 O ATOM 503 CB ASN A 31 12.542 1.459 -2.193 1.00 0.00 C ATOM 504 CG ASN A 31 13.221 2.553 -3.018 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.738 3.509 -2.475 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.243 2.451 -4.319 1.00 0.00 N ATOM 0 H ASN A 31 14.784 0.941 -0.846 1.00 0.00 H new ATOM 0 HA ASN A 31 12.380 2.674 -0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.928 0.481 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.471 1.451 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.694 3.174 -4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.809 1.648 -4.775 1.00 0.00 H new ATOM 513 N PHE A 32 10.843 0.441 -0.036 1.00 0.00 N ATOM 514 CA PHE A 32 10.130 -0.625 0.725 1.00 0.00 C ATOM 515 C PHE A 32 8.920 -1.097 -0.084 1.00 0.00 C ATOM 516 O PHE A 32 8.077 -0.307 -0.464 1.00 0.00 O ATOM 517 CB PHE A 32 9.651 -0.061 2.065 1.00 0.00 C ATOM 518 CG PHE A 32 10.827 0.111 2.999 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.696 1.199 2.844 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.047 -0.819 4.022 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.783 1.356 3.713 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.132 -0.662 4.891 1.00 0.00 C ATOM 523 CZ PHE A 32 13.001 0.426 4.736 1.00 0.00 C ATOM 0 H PHE A 32 10.253 1.005 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 32 10.806 -1.462 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.155 0.897 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.916 -0.732 2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.528 1.916 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.378 -1.659 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.453 2.195 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.300 -1.379 5.681 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.839 0.547 5.406 1.00 0.00 H new ATOM 533 N ILE A 33 8.810 -2.378 -0.337 1.00 0.00 N ATOM 534 CA ILE A 33 7.640 -2.877 -1.107 1.00 0.00 C ATOM 535 C ILE A 33 6.527 -3.200 -0.125 1.00 0.00 C ATOM 536 O ILE A 33 6.448 -4.288 0.408 1.00 0.00 O ATOM 537 CB ILE A 33 8.007 -4.141 -1.877 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.475 -4.076 -2.307 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.114 -4.261 -3.112 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.706 -2.811 -3.133 1.00 0.00 C ATOM 0 H ILE A 33 9.477 -3.092 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 33 7.322 -2.115 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 33 7.860 -5.011 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.123 -4.074 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.733 -4.958 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.375 -5.164 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.070 -4.314 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.259 -3.391 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.751 -2.763 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.068 -2.832 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.464 -1.935 -2.532 1.00 0.00 H new ATOM 552 N THR A 34 5.675 -2.260 0.127 1.00 0.00 N ATOM 553 CA THR A 34 4.576 -2.506 1.086 1.00 0.00 C ATOM 554 C THR A 34 3.374 -3.083 0.349 1.00 0.00 C ATOM 555 O THR A 34 2.774 -2.450 -0.496 1.00 0.00 O ATOM 556 CB THR A 34 4.196 -1.201 1.778 1.00 0.00 C ATOM 557 OG1 THR A 34 5.318 -0.713 2.498 1.00 0.00 O ATOM 558 CG2 THR A 34 3.036 -1.450 2.742 1.00 0.00 C ATOM 0 H THR A 34 5.691 -1.329 -0.290 1.00 0.00 H new ATOM 0 HA THR A 34 4.904 -3.221 1.840 1.00 0.00 H new ATOM 0 HB THR A 34 3.890 -0.466 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.132 -1.146 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.766 -0.516 3.235 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.177 -1.829 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.336 -2.183 3.491 1.00 0.00 H new ATOM 566 N ALA A 35 3.034 -4.298 0.664 1.00 0.00 N ATOM 567 CA ALA A 35 1.880 -4.958 -0.002 1.00 0.00 C ATOM 568 C ALA A 35 0.577 -4.491 0.645 1.00 0.00 C ATOM 569 O ALA A 35 0.342 -4.724 1.810 1.00 0.00 O ATOM 570 CB ALA A 35 2.021 -6.464 0.171 1.00 0.00 C ATOM 0 H ALA A 35 3.511 -4.869 1.362 1.00 0.00 H new ATOM 0 HA ALA A 35 1.863 -4.700 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.182 -6.966 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.954 -6.797 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.028 -6.709 1.233 1.00 0.00 H new ATOM 576 N CYS A 36 -0.286 -3.853 -0.096 1.00 0.00 N ATOM 577 CA CYS A 36 -1.569 -3.401 0.510 1.00 0.00 C ATOM 578 C CYS A 36 -2.686 -4.228 -0.128 1.00 0.00 C ATOM 579 O CYS A 36 -2.889 -4.178 -1.314 1.00 0.00 O ATOM 580 CB CYS A 36 -1.784 -1.884 0.274 1.00 0.00 C ATOM 581 SG CYS A 36 -0.503 -1.209 -0.820 1.00 0.00 S ATOM 0 H CYS A 36 -0.161 -3.627 -1.083 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.561 -3.549 1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.768 -1.716 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.767 -1.358 1.228 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.375 -1.975 -1.863 1.00 0.00 H new ATOM 587 N ILE A 37 -3.377 -5.034 0.634 1.00 0.00 N ATOM 588 CA ILE A 37 -4.432 -5.896 0.020 1.00 0.00 C ATOM 589 C ILE A 37 -5.694 -5.090 -0.255 1.00 0.00 C ATOM 590 O ILE A 37 -6.156 -4.344 0.595 1.00 0.00 O ATOM 591 CB ILE A 37 -4.751 -7.087 0.954 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.010 -8.338 0.117 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.993 -6.823 1.833 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.411 -8.273 -0.487 1.00 0.00 C ATOM 0 H ILE A 37 -3.260 -5.133 1.642 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.057 -6.279 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.890 -7.224 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.265 -8.418 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.912 -9.229 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.177 -7.687 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.819 -5.944 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.860 -6.652 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.592 -9.167 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.150 -8.214 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.493 -7.391 -1.122 1.00 0.00 H new ATOM 606 N VAL A 38 -6.248 -5.277 -1.434 1.00 0.00 N ATOM 607 CA VAL A 38 -7.502 -4.584 -1.839 1.00 0.00 C ATOM 608 C VAL A 38 -8.433 -5.596 -2.542 1.00 0.00 C ATOM 609 O VAL A 38 -8.081 -6.178 -3.555 1.00 0.00 O ATOM 610 CB VAL A 38 -7.143 -3.418 -2.774 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.733 -3.608 -4.179 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.673 -2.114 -2.175 1.00 0.00 C ATOM 0 H VAL A 38 -5.866 -5.900 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.022 -4.186 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.058 -3.384 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.456 -2.762 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.344 -4.528 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.819 -3.670 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.422 -1.283 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.756 -2.177 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.220 -1.952 -1.197 1.00 0.00 H new ATOM 622 N GLY A 39 -9.609 -5.779 -1.993 1.00 0.00 N ATOM 623 CA GLY A 39 -10.638 -6.725 -2.553 1.00 0.00 C ATOM 624 C GLY A 39 -10.092 -7.596 -3.689 1.00 0.00 C ATOM 625 O GLY A 39 -9.481 -8.620 -3.457 1.00 0.00 O ATOM 0 H GLY A 39 -9.913 -5.295 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.006 -7.368 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.490 -6.152 -2.919 1.00 0.00 H new ATOM 629 N SER A 40 -10.345 -7.198 -4.912 1.00 0.00 N ATOM 630 CA SER A 40 -9.891 -7.983 -6.103 1.00 0.00 C ATOM 631 C SER A 40 -8.610 -8.761 -5.799 1.00 0.00 C ATOM 632 O SER A 40 -8.577 -9.974 -5.883 1.00 0.00 O ATOM 633 CB SER A 40 -9.631 -7.027 -7.266 1.00 0.00 C ATOM 634 OG SER A 40 -10.872 -6.613 -7.821 1.00 0.00 O ATOM 0 H SER A 40 -10.857 -6.346 -5.139 1.00 0.00 H new ATOM 0 HA SER A 40 -10.674 -8.696 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.067 -6.161 -6.920 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.025 -7.519 -8.027 1.00 0.00 H new ATOM 0 HG SER A 40 -10.708 -5.998 -8.566 1.00 0.00 H new ATOM 640 N ILE A 41 -7.553 -8.081 -5.460 1.00 0.00 N ATOM 641 CA ILE A 41 -6.276 -8.788 -5.167 1.00 0.00 C ATOM 642 C ILE A 41 -5.384 -7.860 -4.355 1.00 0.00 C ATOM 643 O ILE A 41 -5.822 -6.836 -3.874 1.00 0.00 O ATOM 644 CB ILE A 41 -5.553 -9.158 -6.469 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.305 -8.607 -7.690 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.453 -10.679 -6.583 1.00 0.00 C ATOM 647 CD1 ILE A 41 -6.353 -7.079 -7.615 1.00 0.00 C ATOM 0 H ILE A 41 -7.517 -7.065 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.492 -9.701 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.556 -8.718 -6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.808 -8.921 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.317 -9.012 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.939 -10.942 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.894 -11.072 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.454 -11.110 -6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.887 -6.689 -8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.869 -6.775 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.337 -6.683 -7.606 1.00 0.00 H new ATOM 659 N VAL A 42 -4.133 -8.193 -4.199 1.00 0.00 N ATOM 660 CA VAL A 42 -3.244 -7.297 -3.417 1.00 0.00 C ATOM 661 C VAL A 42 -2.425 -6.425 -4.351 1.00 0.00 C ATOM 662 O VAL A 42 -1.894 -6.869 -5.349 1.00 0.00 O ATOM 663 CB VAL A 42 -2.269 -8.091 -2.558 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.968 -7.301 -1.285 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.868 -9.453 -2.203 1.00 0.00 C ATOM 0 H VAL A 42 -3.695 -9.034 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.886 -6.689 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.345 -8.255 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.270 -7.863 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.526 -6.340 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.893 -7.135 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.162 -10.012 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.796 -9.309 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.073 -10.010 -3.117 1.00 0.00 H new ATOM 675 N THR A 43 -2.289 -5.197 -3.990 1.00 0.00 N ATOM 676 CA THR A 43 -1.472 -4.258 -4.788 1.00 0.00 C ATOM 677 C THR A 43 -0.448 -3.634 -3.838 1.00 0.00 C ATOM 678 O THR A 43 -0.779 -2.861 -2.959 1.00 0.00 O ATOM 679 CB THR A 43 -2.371 -3.180 -5.418 1.00 0.00 C ATOM 680 OG1 THR A 43 -2.953 -3.697 -6.606 1.00 0.00 O ATOM 681 CG2 THR A 43 -1.552 -1.930 -5.757 1.00 0.00 C ATOM 0 H THR A 43 -2.717 -4.791 -3.158 1.00 0.00 H new ATOM 0 HA THR A 43 -0.964 -4.772 -5.604 1.00 0.00 H new ATOM 0 HB THR A 43 -3.150 -2.907 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.529 -3.015 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.203 -1.178 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.105 -1.530 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.765 -2.192 -6.464 1.00 0.00 H new ATOM 689 N GLU A 44 0.790 -4.003 -3.973 1.00 0.00 N ATOM 690 CA GLU A 44 1.826 -3.454 -3.058 1.00 0.00 C ATOM 691 C GLU A 44 2.273 -2.083 -3.545 1.00 0.00 C ATOM 692 O GLU A 44 1.672 -1.489 -4.418 1.00 0.00 O ATOM 693 CB GLU A 44 3.033 -4.390 -3.015 1.00 0.00 C ATOM 694 CG GLU A 44 3.656 -4.489 -4.409 1.00 0.00 C ATOM 695 CD GLU A 44 3.715 -5.956 -4.839 1.00 0.00 C ATOM 696 OE1 GLU A 44 2.681 -6.486 -5.209 1.00 0.00 O ATOM 697 OE2 GLU A 44 4.793 -6.525 -4.790 1.00 0.00 O ATOM 0 H GLU A 44 1.131 -4.660 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 44 1.400 -3.365 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.769 -4.018 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.727 -5.378 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.068 -3.913 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.658 -4.060 -4.402 1.00 0.00 H new ATOM 704 N GLY A 45 3.328 -1.576 -2.979 1.00 0.00 N ATOM 705 CA GLY A 45 3.826 -0.236 -3.400 1.00 0.00 C ATOM 706 C GLY A 45 5.255 -0.057 -2.901 1.00 0.00 C ATOM 707 O GLY A 45 5.500 0.027 -1.717 1.00 0.00 O ATOM 0 H GLY A 45 3.869 -2.029 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.793 -0.146 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.185 0.548 -2.996 1.00 0.00 H new ATOM 711 N GLU A 46 6.202 -0.003 -3.789 1.00 0.00 N ATOM 712 CA GLU A 46 7.610 0.154 -3.350 1.00 0.00 C ATOM 713 C GLU A 46 7.873 1.609 -2.974 1.00 0.00 C ATOM 714 O GLU A 46 8.424 2.374 -3.741 1.00 0.00 O ATOM 715 CB GLU A 46 8.539 -0.265 -4.486 1.00 0.00 C ATOM 716 CG GLU A 46 8.025 0.305 -5.810 1.00 0.00 C ATOM 717 CD GLU A 46 9.184 0.415 -6.803 1.00 0.00 C ATOM 718 OE1 GLU A 46 10.137 -0.332 -6.655 1.00 0.00 O ATOM 719 OE2 GLU A 46 9.098 1.244 -7.693 1.00 0.00 O ATOM 0 H GLU A 46 6.062 -0.061 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 46 7.795 -0.475 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.550 0.094 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.592 -1.352 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.244 -0.338 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.578 1.286 -5.647 1.00 0.00 H new ATOM 726 N GLY A 47 7.483 1.996 -1.789 1.00 0.00 N ATOM 727 CA GLY A 47 7.711 3.401 -1.350 1.00 0.00 C ATOM 728 C GLY A 47 9.213 3.685 -1.329 1.00 0.00 C ATOM 729 O GLY A 47 10.020 2.824 -1.621 1.00 0.00 O ATOM 0 H GLY A 47 7.016 1.399 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.208 4.092 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.285 3.558 -0.359 1.00 0.00 H new ATOM 733 N ASN A 48 9.596 4.885 -0.991 1.00 0.00 N ATOM 734 CA ASN A 48 11.048 5.221 -0.958 1.00 0.00 C ATOM 735 C ASN A 48 11.397 5.887 0.376 1.00 0.00 C ATOM 736 O ASN A 48 11.149 7.058 0.581 1.00 0.00 O ATOM 737 CB ASN A 48 11.382 6.177 -2.108 1.00 0.00 C ATOM 738 CG ASN A 48 10.151 7.019 -2.456 1.00 0.00 C ATOM 739 OD1 ASN A 48 9.461 6.739 -3.417 1.00 0.00 O ATOM 740 ND2 ASN A 48 9.845 8.046 -1.712 1.00 0.00 N ATOM 0 H ASN A 48 8.968 5.647 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 48 11.629 4.305 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.210 6.827 -1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.706 5.611 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.028 8.613 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.423 8.282 -0.905 1.00 0.00 H new ATOM 747 N GLY A 49 11.978 5.151 1.282 1.00 0.00 N ATOM 748 CA GLY A 49 12.350 5.744 2.597 1.00 0.00 C ATOM 749 C GLY A 49 11.628 5.000 3.720 1.00 0.00 C ATOM 750 O GLY A 49 10.666 4.295 3.493 1.00 0.00 O ATOM 0 H GLY A 49 12.211 4.165 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.429 5.683 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.084 6.801 2.618 1.00 0.00 H new ATOM 754 N LYS A 50 12.086 5.152 4.933 1.00 0.00 N ATOM 755 CA LYS A 50 11.425 4.454 6.071 1.00 0.00 C ATOM 756 C LYS A 50 10.185 5.242 6.497 1.00 0.00 C ATOM 757 O LYS A 50 10.011 6.387 6.131 1.00 0.00 O ATOM 758 CB LYS A 50 12.401 4.360 7.247 1.00 0.00 C ATOM 759 CG LYS A 50 12.901 5.760 7.610 1.00 0.00 C ATOM 760 CD LYS A 50 14.419 5.729 7.794 1.00 0.00 C ATOM 761 CE LYS A 50 14.756 5.193 9.187 1.00 0.00 C ATOM 762 NZ LYS A 50 15.476 6.242 9.963 1.00 0.00 N ATOM 0 H LYS A 50 12.889 5.729 5.184 1.00 0.00 H new ATOM 0 HA LYS A 50 11.131 3.451 5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.909 3.904 8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.242 3.719 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.634 6.468 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.420 6.103 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.875 5.099 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.831 6.730 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.843 4.903 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.374 4.299 9.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.705 5.878 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.354 6.498 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.872 7.084 10.053 1.00 0.00 H new ATOM 776 N LYS A 51 9.319 4.639 7.264 1.00 0.00 N ATOM 777 CA LYS A 51 8.092 5.358 7.707 1.00 0.00 C ATOM 778 C LYS A 51 7.328 5.855 6.478 1.00 0.00 C ATOM 779 O LYS A 51 6.494 6.733 6.566 1.00 0.00 O ATOM 780 CB LYS A 51 8.487 6.549 8.582 1.00 0.00 C ATOM 781 CG LYS A 51 8.218 6.214 10.050 1.00 0.00 C ATOM 782 CD LYS A 51 9.314 6.828 10.923 1.00 0.00 C ATOM 783 CE LYS A 51 8.852 8.193 11.437 1.00 0.00 C ATOM 784 NZ LYS A 51 8.266 8.038 12.799 1.00 0.00 N ATOM 0 H LYS A 51 9.408 3.681 7.603 1.00 0.00 H new ATOM 0 HA LYS A 51 7.458 4.683 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.541 6.785 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.920 7.433 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.243 6.598 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.191 5.133 10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.538 6.169 11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.234 6.936 10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.693 8.886 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.113 8.618 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.952 8.965 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.453 7.391 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.984 7.650 13.444 1.00 0.00 H new ATOM 798 N VAL A 52 7.609 5.297 5.332 1.00 0.00 N ATOM 799 CA VAL A 52 6.904 5.731 4.094 1.00 0.00 C ATOM 800 C VAL A 52 6.232 4.517 3.448 1.00 0.00 C ATOM 801 O VAL A 52 5.151 4.605 2.905 1.00 0.00 O ATOM 802 CB VAL A 52 7.925 6.357 3.125 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.503 5.296 2.176 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.239 7.450 2.302 1.00 0.00 C ATOM 0 H VAL A 52 8.299 4.557 5.200 1.00 0.00 H new ATOM 0 HA VAL A 52 6.142 6.472 4.334 1.00 0.00 H new ATOM 0 HB VAL A 52 8.741 6.782 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.221 5.763 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.002 4.521 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.696 4.850 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.959 7.895 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.417 7.015 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.852 8.219 2.970 1.00 0.00 H new ATOM 814 N SER A 53 6.888 3.393 3.501 1.00 0.00 N ATOM 815 CA SER A 53 6.333 2.150 2.889 1.00 0.00 C ATOM 816 C SER A 53 4.812 2.091 3.060 1.00 0.00 C ATOM 817 O SER A 53 4.091 1.806 2.129 1.00 0.00 O ATOM 818 CB SER A 53 6.967 0.931 3.563 1.00 0.00 C ATOM 819 OG SER A 53 7.976 1.362 4.467 1.00 0.00 O ATOM 0 H SER A 53 7.798 3.279 3.948 1.00 0.00 H new ATOM 0 HA SER A 53 6.562 2.152 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.207 0.360 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.396 0.268 2.811 1.00 0.00 H new ATOM 0 HG SER A 53 8.382 0.582 4.900 1.00 0.00 H new ATOM 825 N LYS A 54 4.320 2.351 4.236 1.00 0.00 N ATOM 826 CA LYS A 54 2.843 2.298 4.453 1.00 0.00 C ATOM 827 C LYS A 54 2.158 3.394 3.634 1.00 0.00 C ATOM 828 O LYS A 54 1.182 3.151 2.954 1.00 0.00 O ATOM 829 CB LYS A 54 2.537 2.503 5.938 1.00 0.00 C ATOM 830 CG LYS A 54 1.514 1.462 6.396 1.00 0.00 C ATOM 831 CD LYS A 54 2.240 0.169 6.775 1.00 0.00 C ATOM 832 CE LYS A 54 1.389 -0.624 7.769 1.00 0.00 C ATOM 833 NZ LYS A 54 0.906 0.285 8.848 1.00 0.00 N ATOM 0 H LYS A 54 4.872 2.598 5.057 1.00 0.00 H new ATOM 0 HA LYS A 54 2.468 1.325 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.451 2.413 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.149 3.508 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.951 1.840 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.794 1.268 5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.428 -0.429 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.210 0.400 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.542 -1.079 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.975 -1.436 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.775 -0.257 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.606 1.038 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.000 0.709 8.565 1.00 0.00 H new ATOM 847 N LYS A 55 2.657 4.597 3.692 1.00 0.00 N ATOM 848 CA LYS A 55 2.025 5.699 2.911 1.00 0.00 C ATOM 849 C LYS A 55 2.031 5.333 1.426 1.00 0.00 C ATOM 850 O LYS A 55 0.996 5.149 0.812 1.00 0.00 O ATOM 851 CB LYS A 55 2.819 6.991 3.119 1.00 0.00 C ATOM 852 CG LYS A 55 2.943 7.284 4.615 1.00 0.00 C ATOM 853 CD LYS A 55 4.162 8.175 4.862 1.00 0.00 C ATOM 854 CE LYS A 55 3.731 9.437 5.610 1.00 0.00 C ATOM 855 NZ LYS A 55 3.145 9.060 6.927 1.00 0.00 N ATOM 0 H LYS A 55 3.472 4.865 4.244 1.00 0.00 H new ATOM 0 HA LYS A 55 0.999 5.845 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.809 6.896 2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.321 7.820 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.040 7.777 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.042 6.352 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.909 7.634 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.627 8.443 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.587 10.096 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.000 9.990 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.317 9.821 7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.121 8.913 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.588 8.182 7.265 1.00 0.00 H new ATOM 869 N ARG A 56 3.195 5.231 0.848 1.00 0.00 N ATOM 870 CA ARG A 56 3.289 4.877 -0.592 1.00 0.00 C ATOM 871 C ARG A 56 2.354 3.704 -0.893 1.00 0.00 C ATOM 872 O ARG A 56 1.451 3.814 -1.692 1.00 0.00 O ATOM 873 CB ARG A 56 4.730 4.485 -0.920 1.00 0.00 C ATOM 874 CG ARG A 56 5.629 5.719 -0.815 1.00 0.00 C ATOM 875 CD ARG A 56 5.406 6.620 -2.031 1.00 0.00 C ATOM 876 NE ARG A 56 6.659 6.687 -2.834 1.00 0.00 N ATOM 877 CZ ARG A 56 6.631 7.154 -4.052 1.00 0.00 C ATOM 878 NH1 ARG A 56 6.024 8.282 -4.304 1.00 0.00 N ATOM 879 NH2 ARG A 56 7.208 6.493 -5.018 1.00 0.00 N ATOM 0 H ARG A 56 4.089 5.379 1.316 1.00 0.00 H new ATOM 0 HA ARG A 56 2.997 5.733 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.074 3.712 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.785 4.066 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.407 6.266 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.675 5.416 -0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.591 6.231 -2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.114 7.619 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 56 7.540 6.367 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.572 8.798 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.002 8.648 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.681 5.611 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.186 6.858 -5.970 1.00 0.00 H new ATOM 893 N ALA A 57 2.568 2.579 -0.268 1.00 0.00 N ATOM 894 CA ALA A 57 1.689 1.404 -0.534 1.00 0.00 C ATOM 895 C ALA A 57 0.227 1.852 -0.587 1.00 0.00 C ATOM 896 O ALA A 57 -0.516 1.451 -1.454 1.00 0.00 O ATOM 897 CB ALA A 57 1.844 0.361 0.576 1.00 0.00 C ATOM 0 H ALA A 57 3.311 2.422 0.413 1.00 0.00 H new ATOM 0 HA ALA A 57 1.980 0.965 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.196 -0.491 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.881 0.027 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.566 0.803 1.532 1.00 0.00 H new ATOM 903 N ALA A 58 -0.198 2.655 0.353 1.00 0.00 N ATOM 904 CA ALA A 58 -1.624 3.101 0.369 1.00 0.00 C ATOM 905 C ALA A 58 -1.942 3.917 -0.886 1.00 0.00 C ATOM 906 O ALA A 58 -2.739 3.503 -1.700 1.00 0.00 O ATOM 907 CB ALA A 58 -1.895 3.949 1.613 1.00 0.00 C ATOM 0 H ALA A 58 0.379 3.021 1.110 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.262 2.217 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.937 4.269 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.695 3.358 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.246 4.825 1.605 1.00 0.00 H new ATOM 913 N GLU A 59 -1.339 5.069 -1.058 1.00 0.00 N ATOM 914 CA GLU A 59 -1.647 5.878 -2.280 1.00 0.00 C ATOM 915 C GLU A 59 -1.667 4.947 -3.483 1.00 0.00 C ATOM 916 O GLU A 59 -2.662 4.807 -4.162 1.00 0.00 O ATOM 917 CB GLU A 59 -0.579 6.950 -2.503 1.00 0.00 C ATOM 918 CG GLU A 59 -0.927 8.195 -1.686 1.00 0.00 C ATOM 919 CD GLU A 59 0.356 8.932 -1.300 1.00 0.00 C ATOM 920 OE1 GLU A 59 1.230 8.300 -0.731 1.00 0.00 O ATOM 921 OE2 GLU A 59 0.443 10.116 -1.581 1.00 0.00 O ATOM 0 H GLU A 59 -0.659 5.479 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.612 6.367 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.399 6.570 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.517 7.202 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.576 8.852 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.479 7.911 -0.790 1.00 0.00 H new ATOM 928 N LYS A 60 -0.574 4.297 -3.735 1.00 0.00 N ATOM 929 CA LYS A 60 -0.513 3.351 -4.875 1.00 0.00 C ATOM 930 C LYS A 60 -1.792 2.516 -4.887 1.00 0.00 C ATOM 931 O LYS A 60 -2.423 2.349 -5.907 1.00 0.00 O ATOM 932 CB LYS A 60 0.697 2.428 -4.696 1.00 0.00 C ATOM 933 CG LYS A 60 1.459 2.320 -6.017 1.00 0.00 C ATOM 934 CD LYS A 60 2.954 2.518 -5.762 1.00 0.00 C ATOM 935 CE LYS A 60 3.213 3.962 -5.332 1.00 0.00 C ATOM 936 NZ LYS A 60 4.639 4.308 -5.589 1.00 0.00 N ATOM 0 H LYS A 60 0.288 4.380 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.418 3.897 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.352 2.818 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.369 1.440 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.283 1.345 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.097 3.070 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.296 1.830 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.521 2.289 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.559 4.639 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.983 4.084 -4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.816 5.290 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.255 3.669 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.843 4.207 -6.604 1.00 0.00 H new ATOM 950 N MET A 61 -2.178 1.998 -3.750 1.00 0.00 N ATOM 951 CA MET A 61 -3.410 1.173 -3.676 1.00 0.00 C ATOM 952 C MET A 61 -4.621 1.992 -4.112 1.00 0.00 C ATOM 953 O MET A 61 -5.176 1.775 -5.168 1.00 0.00 O ATOM 954 CB MET A 61 -3.622 0.710 -2.236 1.00 0.00 C ATOM 955 CG MET A 61 -4.993 0.049 -2.126 1.00 0.00 C ATOM 956 SD MET A 61 -5.139 -1.200 -3.419 1.00 0.00 S ATOM 957 CE MET A 61 -3.987 -2.380 -2.680 1.00 0.00 C ATOM 0 H MET A 61 -1.685 2.115 -2.865 1.00 0.00 H new ATOM 0 HA MET A 61 -3.298 0.314 -4.337 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.840 0.007 -1.947 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.556 1.558 -1.554 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.114 -0.408 -1.144 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.781 0.795 -2.230 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.177 -3.375 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.964 -2.084 -2.913 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.124 -2.393 -1.599 1.00 0.00 H new ATOM 967 N LEU A 62 -5.041 2.917 -3.293 1.00 0.00 N ATOM 968 CA LEU A 62 -6.225 3.749 -3.643 1.00 0.00 C ATOM 969 C LEU A 62 -6.095 4.206 -5.088 1.00 0.00 C ATOM 970 O LEU A 62 -6.836 3.790 -5.945 1.00 0.00 O ATOM 971 CB LEU A 62 -6.280 4.960 -2.715 1.00 0.00 C ATOM 972 CG LEU A 62 -6.449 4.515 -1.249 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.423 5.464 -0.563 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.013 3.084 -1.154 1.00 0.00 C ATOM 0 H LEU A 62 -4.613 3.133 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.141 3.169 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.367 5.546 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.109 5.607 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.470 4.533 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.554 5.163 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.028 6.479 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.385 5.430 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.119 2.803 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.987 3.044 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.332 2.391 -1.648 1.00 0.00 H new ATOM 986 N VAL A 63 -5.145 5.048 -5.356 1.00 0.00 N ATOM 987 CA VAL A 63 -4.936 5.532 -6.746 1.00 0.00 C ATOM 988 C VAL A 63 -5.084 4.354 -7.723 1.00 0.00 C ATOM 989 O VAL A 63 -5.544 4.514 -8.837 1.00 0.00 O ATOM 990 CB VAL A 63 -3.527 6.133 -6.833 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.051 6.173 -8.281 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.550 7.555 -6.270 1.00 0.00 C ATOM 0 H VAL A 63 -4.496 5.427 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.674 6.290 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.843 5.512 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.050 6.602 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.029 5.161 -8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.733 6.785 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.551 7.986 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.243 8.165 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.872 7.529 -5.229 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.694 3.175 -7.313 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.804 1.983 -8.213 1.00 0.00 C ATOM 1004 C GLU A 64 -6.275 1.617 -8.465 1.00 0.00 C ATOM 1005 O GLU A 64 -6.747 1.652 -9.584 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.110 0.782 -7.571 1.00 0.00 C ATOM 1007 CG GLU A 64 -2.891 0.387 -8.412 1.00 0.00 C ATOM 1008 CD GLU A 64 -1.958 1.590 -8.584 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -2.349 2.683 -8.208 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -0.867 1.398 -9.095 1.00 0.00 O ATOM 0 H GLU A 64 -4.302 2.984 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.329 2.235 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.800 1.028 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.803 -0.056 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.357 -0.432 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.215 0.025 -9.388 1.00 0.00 H new ATOM 1017 N LEU A 65 -6.994 1.233 -7.440 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.418 0.830 -7.640 1.00 0.00 C ATOM 1019 C LEU A 65 -9.343 2.045 -7.588 1.00 0.00 C ATOM 1020 O LEU A 65 -10.550 1.921 -7.551 1.00 0.00 O ATOM 1021 CB LEU A 65 -8.824 -0.250 -6.608 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.784 0.239 -5.142 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -7.361 0.499 -4.665 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -9.612 1.503 -4.967 1.00 0.00 C ATOM 0 H LEU A 65 -6.658 1.182 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.520 0.393 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.831 -0.598 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.159 -1.107 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.209 -0.561 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.381 0.841 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.781 -0.421 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.901 1.264 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.567 1.826 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.215 2.290 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.648 1.300 -5.240 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.784 3.217 -7.600 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.622 4.448 -7.560 1.00 0.00 C ATOM 1038 C GLN A 66 -9.821 4.975 -8.981 1.00 0.00 C ATOM 1039 O GLN A 66 -10.685 5.791 -9.235 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.920 5.514 -6.715 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.271 5.310 -5.240 1.00 0.00 C ATOM 1042 CD GLN A 66 -10.267 6.347 -4.798 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.325 7.439 -5.328 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -11.062 6.038 -3.832 1.00 0.00 N ATOM 0 H GLN A 66 -7.778 3.380 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.591 4.214 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.841 5.451 -6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.226 6.509 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.683 4.312 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.370 5.377 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.002 5.118 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.751 6.714 -3.503 1.00 0.00 H new ATOM 1053 N LYS A 67 -9.028 4.516 -9.911 1.00 0.00 N ATOM 1054 CA LYS A 67 -9.173 4.992 -11.315 1.00 0.00 C ATOM 1055 C LYS A 67 -10.241 4.161 -12.028 1.00 0.00 C ATOM 1056 O LYS A 67 -10.950 4.648 -12.887 1.00 0.00 O ATOM 1057 CB LYS A 67 -7.837 4.842 -12.045 1.00 0.00 C ATOM 1058 CG LYS A 67 -7.231 6.226 -12.288 1.00 0.00 C ATOM 1059 CD LYS A 67 -6.279 6.578 -11.143 1.00 0.00 C ATOM 1060 CE LYS A 67 -6.958 7.573 -10.200 1.00 0.00 C ATOM 1061 NZ LYS A 67 -6.165 8.835 -10.156 1.00 0.00 N ATOM 0 H LYS A 67 -8.287 3.832 -9.759 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.470 6.041 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.154 4.233 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.985 4.326 -12.994 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.695 6.238 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.022 6.973 -12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.001 5.676 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.359 7.007 -11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.972 7.780 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.039 7.146 -9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.626 9.512 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.205 8.630 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.110 9.244 -11.111 1.00 0.00 H new ATOM 1075 N LEU A 68 -10.365 2.911 -11.678 1.00 0.00 N ATOM 1076 CA LEU A 68 -11.385 2.050 -12.332 1.00 0.00 C ATOM 1077 C LEU A 68 -12.772 2.663 -12.137 1.00 0.00 C ATOM 1078 O LEU A 68 -13.508 2.164 -11.302 1.00 0.00 O ATOM 1079 CB LEU A 68 -11.347 0.659 -11.697 1.00 0.00 C ATOM 1080 CG LEU A 68 -9.903 0.158 -11.642 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -9.893 -1.325 -11.268 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -9.248 0.341 -13.013 1.00 0.00 C ATOM 1083 OXT LEU A 68 -13.076 3.623 -12.828 1.00 0.00 O ATOM 0 H LEU A 68 -9.801 2.449 -10.965 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.172 1.973 -13.398 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.768 0.695 -10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.960 -0.032 -12.275 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.349 0.726 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.864 -1.683 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.361 -1.457 -10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.446 -1.893 -12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.219 -0.016 -12.975 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.802 -0.228 -13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.256 1.397 -13.282 1.00 0.00 H new TER 1095 LEU A 68